Gaussian 09 GINC-KIMIK6011 EGARCIA opt freq EM64L-G09RevD.01 19-Sep-2022 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 RB3LYP GenECP FOpt #p opt=(maxstep=17,modredundant) B3LYP genecp SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3 nosymm scf(xqc,maxcyc=512) 432.12221099999994 1 1 AuxInfo=1/0/N:41,15,19,8,37,4,7,3,39,12,9,14,2,1;24,28,32,23;36/E:(2,3);(1,2,3);/CRV:4.2,5.3,6.3,7.2,8.3,9.3,10.3,12.3,13.3,14.3;;/rA:44nC3C3C3C3HHC2C3CHHC3HC3CHHHCHHHP4CHHHCHHHCHHHAuC3HC3HCHHH/rB:s1;s2;;s3;s4;s2;s7;s1;s9;s9;s9;s12;s12;s14;s15;s15;s15;s14;s19;s19;s19;;s23;s24;s24;s24;s23;s28;s28;s28;s23;s32;s32;s32;s8s23;s3s4;s37;s1s4;s39;s8;s41;s41;s41;/rC:2.8743,-1.4166,-.7564;1.8646,-.9797,.1318;1.2766,-1.8773,1.0504;2.6402,-3.6538,.1511;.5152,-1.5156,1.7341;2.9503,-4.6945,.1576;1.44,.3753,.0734;.6275,1.3599,.1037;3.5314,-.3898,-1.6586;2.9913,-.3632,-2.6136;4.5512,-.7173,-1.8933;3.5352,1.0079,-1.0644;3.0857,1.7919,-1.6689;4.1683,1.3747,.0819;4.9075,.413,.9724;5.9616,.7128,1.0404;4.5053,.4546,1.9931;4.8691,-.6223,.6308;4.2062,2.8102,.5341;3.7176,2.9243,1.51;5.2486,3.1296,.6654;3.7196,3.4837,-.175;-3.4973,-.3196,-.0829;-4.7289,.8758,.5599;-5.7358,.4537,.4787;-4.5091,1.0983,1.6075;-4.6738,1.8024,-.018;-3.7593,-1.8572,.8812;-4.8011,-2.1822,.7921;-3.0987,-2.6417,.5019;-3.5228,-1.6725,1.9326;-4.0472,-.7133,-1.7866;-3.9813,.1849,-2.4067;-3.3987,-1.4847,-2.2107;-5.0815,-1.0723,-1.7716;-1.3152,.4748,.0228;1.6571,-3.2143,1.045;1.2002,-3.909,1.7425;3.2487,-2.7578,-.7343;4.0344,-3.1029,-1.4003;.7838,2.8914,.1422;1.4486,3.1622,.9357;1.1834,3.2327,-.7899;-.1718,3.3434,.3075;/R:/0/N:15,19,41,24,28,32,4,37,39,3,12,9,7,14,8,1,2,36,23/E:(1,2)(4,5,6)/CRV:7.3,8.3,9.3,10.3,11.3,13.2,14.3,15.3,16.3,17.3,18.2,19.4 g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-97624.inp" -scrdir="/scratch/" nprocshared=20 mem=41GB chk=Me-TS1-2-5exo #p opt=(maxstep=17,modredundant) B3LYP genecp SCRF=(PCM,Solvent=Dichlo 1/8=17,14=-1,18=120,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=7,11=2,16=1,17=8,25=1,30=1,70=2201,71=1,72=9,74=-5,124=31/1,2,3 4//1 5/5=2,7=512,8=3,13=1,38=5,53=9/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7/30=1/1,2,3,16 1/8=17,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=7,6=1,11=2,16=1,17=8,25=1,30=1,70=2205,71=1,72=9,74=-5,82=7,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,7=512,8=3,13=1,38=5,53=9/2,8 7/30=1/1,2,3,16 1/8=17,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 opt freq B F 7 12 B F 7 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 12 12 12 12 1 1 12 12 12 1 1 12 1 12 12 1 1 1 12 1 1 1 31 12 1 1 1 12 1 1 1 12 1 1 1 197 12 1 12 1 12 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 30.9737634 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 196.9666000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 1 1 0 0 0 1 1 0 1 0 0 1 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 3 0 1 0 1 0 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 1 2 2 3 3 4 4 4 7 7 7 8 8 9 9 9 12 12 14 14 15 15 15 19 19 19 23 23 23 23 24 24 24 28 28 28 32 32 32 37 39 41 41 41 2 9 39 3 7 5 37 6 37 39 8 12 14 36 41 10 11 12 13 14 15 19 16 17 18 20 21 22 24 28 32 36 25 26 27 29 30 31 33 34 35 38 40 42 43 44 1.414 1.5166 1.3926 1.4125 1.4212 1.0853 1.3902 1.0859 1.3996 1.399 1.2769 2.4667 2.9056 2.1363 1.54 1.0975 1.0966 1.5188 1.0873 1.3599 1.5047 1.5056 1.098 1.0979 1.0909 1.0973 1.0981 1.0923 1.8328 1.8338 1.833 2.3245 1.0948 1.0933 1.0934 1.0949 1.0935 1.0934 1.0934 1.0934 1.0949 1.0853 1.0863 1.07 1.07 1.07 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|Frozen|Frozen|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 2 2 9 1 1 3 2 2 5 6 6 37 2 7 7 36 1 1 1 10 10 11 9 9 13 12 12 15 14 14 14 16 16 17 14 14 14 20 20 21 24 24 24 28 28 32 23 23 23 25 25 26 23 23 23 29 29 30 23 23 23 33 33 34 3 3 4 1 1 4 8 8 8 42 42 43 1 1 1 2 2 2 3 3 3 4 4 4 7 8 8 8 9 9 9 9 9 9 12 12 12 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 23 23 23 23 23 23 24 24 24 24 24 24 28 28 28 28 28 28 32 32 32 32 32 32 37 37 37 39 39 39 41 41 41 41 41 41 9 39 39 3 7 7 5 37 37 37 39 39 8 36 41 41 10 11 12 11 12 12 13 14 14 15 19 19 16 17 18 17 18 18 20 21 22 21 22 22 28 32 36 32 36 36 25 26 27 26 27 27 29 30 31 30 31 31 33 34 35 34 35 35 4 38 38 4 40 40 42 43 44 43 44 44 118.2842 118.6559 123.0286 120.6284 118.8246 120.5428 119.3397 119.6495 120.9932 119.8468 119.5677 120.5724 157.5615 104.9699 134.6526 120.3514 108.7117 109.1504 113.0471 106.1787 108.6236 110.8754 116.4283 125.3886 117.8171 123.7237 121.4698 114.7876 109.4982 110.2465 113.8235 106.4847 108.1968 108.3114 110.7953 109.6981 112.4341 106.6302 108.3552 108.7357 105.4521 105.3339 113.0787 105.409 113.3766 113.4109 109.912 109.4933 109.4788 109.5384 109.5068 108.8933 110.0015 109.4398 109.4521 109.4866 109.5307 108.911 109.4232 109.5153 109.9446 108.8991 109.5149 109.525 119.786 119.8612 120.3477 120.6636 119.3877 119.939 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A77 A78 8 8 36 36 23 23 5 5 -1 -2 183.9869 estimate D2E/DX2|estimate D2E/DX2 177.7822 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 9 9 39 39 2 2 2 39 39 39 2 2 9 9 1 1 7 7 1 3 2 2 5 5 6 6 39 39 6 6 37 37 2 2 7 7 7 41 41 41 7 7 7 36 36 36 1 1 10 10 11 11 9 9 13 13 12 12 12 19 19 19 12 12 12 15 15 15 28 28 28 32 32 32 36 36 36 24 24 24 32 32 32 36 36 36 24 24 24 28 28 28 36 36 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 4 4 4 4 4 4 4 4 7 7 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 12 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 2 2 2 2 9 9 9 9 9 9 39 39 39 39 3 3 3 3 7 7 37 37 37 37 37 37 37 37 39 39 39 39 8 8 23 23 23 23 23 23 41 41 41 41 41 41 12 12 12 12 12 12 14 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 24 24 24 24 24 24 24 24 24 28 28 28 28 28 28 28 28 28 32 32 32 32 32 32 32 32 32 3 7 3 7 10 11 12 10 11 12 4 40 4 40 5 37 5 37 8 8 4 38 4 38 3 38 3 38 1 40 1 40 36 41 24 28 32 24 28 32 42 43 44 42 43 44 13 14 13 14 13 14 15 19 15 19 16 17 18 16 17 18 20 21 22 20 21 22 25 26 27 25 26 27 25 26 27 29 30 31 29 30 31 29 30 31 33 34 35 33 34 35 33 34 35 -176.145 4.5982 1.88 -177.3768 -92.4543 152.1391 28.2441 89.6129 -25.7937 -149.6888 -0.1464 -179.0135 177.7792 -1.0879 178.9705 -2.5394 -1.7855 176.7045 141.5517 -37.7057 1.4369 -179.3816 179.9014 -0.9171 178.9578 -0.2197 0.2828 -178.8948 -179.6179 -0.757 -0.9392 177.9217 -12.1101 169.8276 159.0461 39.1463 -82.4642 -22.7789 -142.6786 95.7108 -51.5722 68.4278 -171.5722 130.5971 -109.4029 10.5971 -124.4059 62.7213 -3.6574 -176.5302 112.6513 -60.2215 -3.2926 175.0442 -176.0759 2.2609 119.6158 -123.5474 -1.6144 -58.8217 58.0151 179.9481 118.8748 -123.6653 -2.5398 -62.6489 54.811 175.9365 -56.0178 64.3506 -176.3381 55.1835 175.5518 -65.1369 179.5627 -60.069 59.2423 55.8566 176.1832 -64.5322 -55.2913 65.0353 -175.6801 -179.9111 -59.5845 59.7001 65.0048 -175.697 -55.3109 176.2367 -64.4651 55.921 -59.165 60.1332 -179.4807 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 1.70e-01 1.00e-07 1.00e-06 229 264 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. Berny optimization. local minimum Step number 28 out of a maximum of 229 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00020 0.00133 0.00158 0.00322 0.00449 0.00715 0.00726 0.00806 0.00823 0.01196 0.01358 0.01459 0.01927 0.02016 0.02093 0.02099 0.02117 0.02132 0.02161 0.02210 0.02236 0.03158 0.03274 0.03957 0.04255 0.05567 0.05956 0.05968 0.05971 0.05997 0.06016 0.06044 0.06340 0.06407 0.06598 0.06804 0.06878 0.07008 0.07219 0.07303 0.07399 0.07431 0.09194 0.09982 0.10920 0.11998 0.14124 0.14904 0.15703 0.15837 0.15963 0.15989 0.15992 0.15997 0.15998 0.15999 0.16000 0.16003 0.16005 0.16008 0.16021 0.16030 0.16036 0.16078 0.16101 0.16113 0.16148 0.16183 0.16315 0.16500 0.17487 0.18840 0.20471 0.21805 0.22037 0.22968 0.23651 0.23704 0.23745 0.24037 0.24979 0.25272 0.25502 0.28040 0.29885 0.31017 0.31819 0.31913 0.32922 0.33900 0.33912 0.33947 0.33977 0.34030 0.34070 0.34257 0.34266 0.34283 0.34414 0.34422 0.34424 0.34425 0.34447 0.34528 0.34590 0.35114 0.35241 0.35248 0.35295 0.35365 0.35573 0.36995 0.37296 0.38928 0.40051 0.41597 0.44524 0.44922 0.45272 0.46291 0.47339 0.50075 0.71419 0.76309 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 -2.91726258e-06 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 2.66495 2.86152 2.63559 2.66487 2.71029 2.05166 2.62941 2.05226 2.64367 2.64073 2.37425 4.66135 5.49069 4.13489 2.81037 2.07440 2.07292 2.86741 2.05508 2.55236 2.84843 2.84868 2.07360 2.07671 2.06254 2.07635 2.07431 2.06631 3.46353 3.46515 3.46363 4.37811 2.06877 2.06612 2.06636 2.06899 2.06636 2.06614 2.06617 2.06623 2.06906 2.05135 2.05338 2.07013 2.06929 2.06214 2.06243 2.07345 2.14674 2.10163 2.07641 2.10505 2.08421 2.09206 2.10684 2.09363 2.08917 2.10022 2.85289 1.65501 2.54474 2.08223 1.90273 1.90800 1.95983 1.85195 1.89948 1.93839 2.02650 2.19171 2.06049 2.16322 2.11887 2.00099 1.92016 1.92516 1.98217 1.86055 1.88933 1.88198 1.93210 1.92735 1.96358 1.85857 1.88935 1.88918 1.84124 1.83927 1.97234 1.83894 1.97614 1.98259 1.91902 1.91078 1.91077 1.91149 1.91117 1.90049 1.91943 1.90959 1.91073 1.91108 1.91194 1.90094 1.91065 1.91067 1.91856 1.90081 1.91156 1.91146 2.09090 2.09131 2.10092 2.10765 2.08164 2.09377 1.91712 1.90828 1.95966 1.89009 1.89297 1.89433 3.25431 3.06723 -3.07965 0.07666 0.02695 -3.09993 -1.57962 2.68623 0.52672 1.59854 -0.41880 -2.57831 -0.00335 -3.12797 3.10146 -0.02316 3.12275 -0.03244 -0.03380 3.09419 2.58970 -0.53714 0.01395 -3.13898 -3.14142 -0.01117 3.13141 0.00121 0.00958 -3.12062 -3.13685 -0.01235 -0.01497 3.10953 -0.34222 2.86065 2.75928 0.67182 -1.46960 -0.42418 -2.51163 1.63013 -1.24832 0.82346 2.92698 1.96331 -2.24810 -0.14457 -2.17872 1.06704 -0.07050 -3.10793 1.96201 -1.07542 -0.05229 3.10611 -3.08789 0.07051 2.27200 -1.96350 0.15133 -0.88538 1.16230 -3.00605 2.00298 -2.22632 -0.11347 -1.12327 0.93062 3.04347 -0.97568 1.12503 -3.07599 0.96491 3.06562 -1.13540 3.13956 -1.04291 1.03924 0.97950 3.07921 -1.12200 -0.96133 1.13839 -3.06282 -3.13814 -1.03842 1.04356 1.13083 -3.06994 -0.96961 3.07305 -1.12772 0.97261 -1.03737 1.04505 -3.13781 0.00074 0.00050 0.00009 0.00006 0.00004 0.00000 -0.00009 0.00000 -0.00015 -0.00006 0.00000 0.00844 0.00347 0.00001 0.00000 0.00000 0.00000 -0.00032 0.00000 -0.00069 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00134 -0.00033 -0.00102 -0.00013 0.00094 -0.00081 -0.00010 0.00020 -0.00010 -0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00027 -0.00046 0.00032 0.00004 -0.00039 0.00021 0.00000 -0.00001 0.00005 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00001 0.00001 0.00027 -0.00013 -0.00013 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00002 -0.00016 -0.00011 -0.00029 -0.00038 -0.00032 -0.00048 -0.00025 -0.00020 -0.00036 0.00011 0.00006 0.00002 -0.00003 -0.00003 0.00003 0.00017 0.00022 0.00009 -0.00009 0.00005 -0.00001 0.00010 0.00004 -0.00004 0.00002 -0.00004 0.00002 -0.00004 0.00002 -0.00004 0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00032 -0.00077 -0.00004 -0.00049 -0.00011 -0.00056 0.00023 0.00023 -0.00023 -0.00023 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00008 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00006 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00005 0.00002 -0.00006 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00002 0.00000 0.00000 0.00001 -0.00002 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00000 0.00000 0.00001 0.00001 0.00000 0.00004 0.00002 0.00000 -0.00001 0.00000 -0.00001 -0.00003 -0.00002 -0.00001 -0.00003 -0.00003 -0.00002 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00003 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00019 0.00007 -0.00008 -0.00010 -0.00009 -0.00001 -0.00003 -0.00002 -0.00012 -0.00012 -0.00012 -0.00026 -0.00026 -0.00026 0.00001 0.00003 0.00002 0.00003 0.00002 0.00003 -0.00003 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 0.00002 0.00002 0.00000 0.00002 0.00002 0.00001 0.00016 0.00017 0.00016 0.00017 0.00018 0.00018 0.00017 0.00018 0.00017 0.00008 0.00008 0.00008 0.00006 0.00007 0.00006 0.00007 0.00008 0.00007 -0.00002 -0.00003 -0.00002 0.00000 -0.00001 0.00000 -0.00002 -0.00002 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00002 0.00002 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 0.00002 0.00000 -0.00002 -0.00002 -0.00002 -0.00001 -0.00002 -0.00001 0.00000 -0.00001 0.00000 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00015 -0.00014 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00009 0.00011 0.00003 0.00005 0.00004 0.00003 0.00005 0.00003 -0.00004 -0.00003 -0.00003 -0.00002 -0.00002 -0.00002 0.00003 0.00002 0.00003 0.00002 0.00003 0.00002 0.00003 0.00000 0.00002 0.00000 -0.00011 -0.00011 -0.00010 -0.00008 -0.00008 -0.00008 -0.00001 -0.00001 0.00000 -0.00003 -0.00003 -0.00003 0.00009 0.00010 0.00009 0.00010 0.00010 0.00010 0.00011 0.00012 0.00011 0.00002 0.00002 0.00001 0.00001 0.00002 0.00001 0.00000 0.00000 0.00000 0.00003 0.00003 0.00003 0.00003 0.00003 0.00004 0.00003 0.00003 0.00003 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00010 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00007 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 0.00006 0.00001 -0.00007 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00002 0.00000 -0.00001 0.00001 -0.00003 0.00002 0.00001 0.00000 -0.00002 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 0.00001 -0.00001 -0.00001 -0.00001 0.00003 -0.00001 -0.00001 -0.00001 0.00000 -0.00001 -0.00005 -0.00004 -0.00004 -0.00005 -0.00005 -0.00004 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00016 -0.00017 0.00001 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00028 0.00018 -0.00005 -0.00005 -0.00006 0.00002 0.00002 0.00001 -0.00016 -0.00016 -0.00015 -0.00028 -0.00028 -0.00027 0.00004 0.00005 0.00005 0.00006 0.00005 0.00006 0.00000 -0.00002 0.00001 -0.00002 -0.00012 -0.00012 -0.00012 -0.00009 -0.00009 -0.00009 0.00001 0.00002 0.00000 -0.00001 -0.00001 -0.00002 0.00025 0.00026 0.00025 0.00027 0.00028 0.00027 0.00028 0.00030 0.00029 0.00009 0.00010 0.00009 0.00008 0.00009 0.00008 0.00007 0.00008 0.00007 0.00000 0.00000 0.00000 0.00003 0.00003 0.00003 0.00001 0.00000 0.00001 2.66494 2.86152 2.63559 2.66487 2.71029 2.05166 2.62941 2.05226 2.64367 2.64073 2.37424 4.66135 5.49069 4.13499 2.81036 2.07439 2.07292 2.86741 2.05508 2.55236 2.84843 2.84868 2.07360 2.07671 2.06254 2.07635 2.07431 2.06631 3.46353 3.46515 3.46363 4.37804 2.06878 2.06612 2.06636 2.06898 2.06636 2.06614 2.06617 2.06623 2.06906 2.05135 2.05338 2.07013 2.06929 2.06214 2.06244 2.07345 2.14674 2.10164 2.07641 2.10504 2.08421 2.09205 2.10684 2.09363 2.08917 2.10022 2.85286 1.65507 2.54476 2.08216 1.90273 1.90799 1.95984 1.85195 1.89949 1.93839 2.02650 2.19171 2.06049 2.16322 2.11887 2.00099 1.92016 1.92516 1.98217 1.86055 1.88933 1.88198 1.93210 1.92734 1.96358 1.85857 1.88936 1.88917 1.84126 1.83927 1.97233 1.83895 1.97611 1.98261 1.91903 1.91078 1.91075 1.91149 1.91117 1.90049 1.91944 1.90958 1.91073 1.91108 1.91194 1.90094 1.91064 1.91067 1.91856 1.90081 1.91156 1.91147 2.09090 2.09131 2.10092 2.10765 2.08164 2.09377 1.91713 1.90830 1.95966 1.89008 1.89296 1.89432 3.25434 3.06723 -3.07966 0.07665 0.02694 -3.09993 -1.57967 2.68618 0.52668 1.59849 -0.41884 -2.57835 -0.00334 -3.12796 3.10146 -0.02316 3.12275 -0.03244 -0.03380 3.09419 2.58954 -0.53730 0.01396 -3.13898 -3.14141 -0.01116 3.13140 0.00121 0.00957 -3.12062 -3.13685 -0.01235 -0.01497 3.10953 -0.34194 2.86083 2.75923 0.67178 -1.46966 -0.42416 -2.51161 1.63014 -1.24848 0.82330 2.92683 1.96303 -2.24837 -0.14484 -2.17867 1.06709 -0.07045 -3.10787 1.96206 -1.07536 -0.05229 3.10609 -3.08788 0.07050 2.27188 -1.96362 0.15121 -0.88547 1.16221 -3.00614 2.00299 -2.22630 -0.11347 -1.12328 0.93061 3.04344 -0.97543 1.12530 -3.07574 0.96518 3.06591 -1.13513 3.13984 -1.04262 1.03953 0.97959 3.07931 -1.12191 -0.96125 1.13848 -3.06274 -3.13806 -1.03834 1.04363 1.13083 -3.06994 -0.96961 3.07308 -1.12769 0.97264 -1.03737 1.04505 -3.13780 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000009 0.000001 0.000698 0.000153 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.059791e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 1 2 2 3 3 4 4 4 7 7 7 8 8 9 9 9 12 12 14 14 15 15 15 19 19 19 23 23 23 23 24 24 24 28 28 28 32 32 32 37 39 41 41 41 2 9 39 3 7 5 37 6 37 39 8 12 14 36 41 10 11 12 13 14 15 19 16 17 18 20 21 22 24 28 32 36 25 26 27 29 30 31 33 34 35 38 40 42 43 44 1.4102 1.5143 1.3947 1.4102 1.4342 1.0857 1.3914 1.086 1.399 1.3974 1.2564 2.4667 2.9055 2.1881 1.4872 1.0977 1.0969 1.5174 1.0875 1.3507 1.5073 1.5075 1.0973 1.099 1.0914 1.0988 1.0977 1.0934 1.8328 1.8337 1.8329 2.3168 1.0947 1.0933 1.0935 1.0949 1.0935 1.0934 1.0934 1.0934 1.0949 1.0855 1.0866 1.0955 1.095 1.0912 -DE/DX = 0.0007|-DE/DX = 0.0005|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0002|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0084|-DE/DX = 0.0035|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0003|-DE/DX = 0.0|-DE/DX = -0.0007|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 2 2 9 1 1 3 2 2 5 6 6 37 2 7 7 36 1 1 1 10 10 11 9 9 13 12 12 15 14 14 14 16 16 17 14 14 14 20 20 21 24 24 24 28 28 32 23 23 23 25 25 26 23 23 23 29 29 30 23 23 23 33 33 34 3 3 4 1 1 4 8 8 8 42 42 43 1 1 1 2 2 2 3 3 3 4 4 4 7 8 8 8 9 9 9 9 9 9 12 12 12 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 23 23 23 23 23 23 24 24 24 24 24 24 28 28 28 28 28 28 32 32 32 32 32 32 37 37 37 39 39 39 41 41 41 41 41 41 9 39 39 3 7 7 5 37 37 37 39 39 8 36 41 41 10 11 12 11 12 12 13 14 14 15 19 19 16 17 18 17 18 18 20 21 22 21 22 22 28 32 36 32 36 36 25 26 27 26 27 27 29 30 31 30 31 31 33 34 35 34 35 35 4 38 38 4 40 40 42 43 44 43 44 44 118.1687 118.7998 122.9992 120.4148 118.9693 120.6105 119.4165 119.8659 120.7129 119.9562 119.7005 120.3337 163.4584 94.8251 145.8029 119.3029 109.0186 109.3201 112.2902 106.109 108.8322 111.0618 116.1096 125.5758 118.0572 123.9436 121.402 114.648 110.017 110.3036 113.5697 106.6016 108.2506 107.8295 110.7011 110.4288 112.5051 106.4881 108.2517 108.242 105.495 105.3824 113.0066 105.3637 113.2247 113.5942 109.9517 109.4795 109.479 109.5203 109.5018 108.8898 109.975 109.4115 109.4769 109.4969 109.546 108.9159 109.4722 109.4732 109.9254 108.9086 109.5243 109.5188 119.8 119.823 120.3738 120.7593 119.2694 119.9642 109.8432 109.3364 112.28 108.2939 108.4593 108.5373 -DE/DX = 0.0013|-DE/DX = -0.0003|-DE/DX = -0.001|-DE/DX = -0.0001|-DE/DX = 0.0009|-DE/DX = -0.0008|-DE/DX = -0.0001|-DE/DX = 0.0002|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0003|-DE/DX = -0.0005|-DE/DX = 0.0003|-DE/DX = 0.0|-DE/DX = -0.0004|-DE/DX = 0.0002|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0003|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A77 8 36 23 5 -1 186.4583 -DE/DX|=|0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 9 9 39 39 2 2 2 39 39 39 2 2 9 9 1 1 7 7 1 3 2 2 5 5 6 6 39 39 6 6 37 37 2 2 7 7 7 41 41 41 7 7 7 36 36 36 1 1 10 10 11 11 9 9 13 13 12 12 12 19 19 19 12 12 12 15 15 15 28 28 28 32 32 32 36 36 36 24 24 24 32 32 32 36 36 36 24 24 24 28 28 28 36 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 4 4 4 4 4 4 4 4 7 7 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 12 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 2 2 2 2 9 9 9 9 9 9 39 39 39 39 3 3 3 3 7 7 37 37 37 37 37 37 37 37 39 39 39 39 8 8 23 23 23 23 23 23 41 41 41 41 41 41 12 12 12 12 12 12 14 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 24 24 24 24 24 24 24 24 24 28 28 28 28 28 28 28 28 28 32 32 32 32 32 32 32 32 3 7 3 7 10 11 12 10 11 12 4 40 4 40 5 37 5 37 8 8 4 38 4 38 3 38 3 38 1 40 1 40 36 41 24 28 32 24 28 32 42 43 44 42 43 44 13 14 13 14 13 14 15 19 15 19 16 17 18 16 17 18 20 21 22 20 21 22 25 26 27 25 26 27 25 26 27 29 30 31 29 30 31 29 30 31 33 34 35 33 34 35 33 34 -176.4509 4.3926 1.5439 -177.6127 -90.5058 153.9095 30.1787 91.5895 -23.9952 -147.7261 -0.1918 -179.2193 177.7004 -1.3271 178.9207 -1.8587 -1.9367 177.284 148.3791 -30.7757 0.7993 -179.8501 -179.9903 -0.6397 179.4163 0.0694 0.5487 -178.7983 -179.7282 -0.7074 -0.8577 178.1631 -19.608 163.9032 158.0949 38.4927 -84.2019 -24.3036 -143.9059 93.3996 -71.5235 47.1807 167.7038 112.4894 -128.8064 -8.2833 -124.8313 61.1368 -4.0394 -178.0713 112.4151 -61.6168 -2.9961 177.9671 -176.923 4.0402 130.176 -112.5004 8.6706 -50.7286 66.5951 -172.234 114.7621 -127.5587 -6.5014 -64.3588 53.3204 174.3778 -55.9025 64.4597 -176.2415 55.2852 175.6473 -65.0538 179.8833 -59.7545 59.5443 56.121 176.426 -64.2857 -55.0799 65.2251 -175.4866 -179.802 -59.497 59.7913 64.7917 -175.8944 -55.5545 176.0726 -64.6134 55.7265 -59.4371 59.8768 -DE/DX = 0.0|-DE/DX = -0.0002|-DE/DX = -0.0001|-DE/DX = -0.0003|-DE/DX = -0.0004|-DE/DX = -0.0003|-DE/DX = -0.0005|-DE/DX = -0.0003|-DE/DX = -0.0002|-DE/DX = -0.0004|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0002|-DE/DX = 0.0002|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0003|-DE/DX = -0.0008|-DE/DX = 0.0|-DE/DX = -0.0005|-DE/DX = -0.0001|-DE/DX = -0.0006|-DE/DX = 0.0002|-DE/DX = 0.0002|-DE/DX = -0.0002|-DE/DX = -0.0002|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 (5D, 7F) 1 2 3 4 7 8 9 12 14 15 19 24 28 32 37 39 41 5 6 10 11 13 16 17 18 20 21 22 25 26 27 29 30 31 33 34 35 38 40 42 43 44 23 6-31G* 36 SDD 1 6 No pseudopotential on this center. 2 6 No pseudopotential on this center. 3 6 No pseudopotential on this center. 4 6 No pseudopotential on this center. 5 1 No pseudopotential on this center. 6 1 No pseudopotential on this center. 7 6 No pseudopotential on this center. 8 6 No pseudopotential on this center. 9 6 No pseudopotential on this center. 10 1 No pseudopotential on this center. 11 1 No pseudopotential on this center. 12 6 No pseudopotential on this center. 13 1 No pseudopotential on this center. 14 6 No pseudopotential on this center. 15 6 No pseudopotential on this center. 16 1 No pseudopotential on this center. 17 1 No pseudopotential on this center. 18 1 No pseudopotential on this center. 19 6 No pseudopotential on this center. 20 1 No pseudopotential on this center. 21 1 No pseudopotential on this center. 22 1 No pseudopotential on this center. 23 15 No pseudopotential on this center. 24 6 No pseudopotential on this center. 25 1 No pseudopotential on this center. 26 1 No pseudopotential on this center. 27 1 No pseudopotential on this center. 28 6 No pseudopotential on this center. 29 1 No pseudopotential on this center. 30 1 No pseudopotential on this center. 31 1 No pseudopotential on this center. 32 6 No pseudopotential on this center. 33 1 No pseudopotential on this center. 34 1 No pseudopotential on this center. 35 1 No pseudopotential on this center. 36 79 19 G and up 2 1.0000000 0.00000000 0.00000000 S - G 2 2 13.2051000 6.6025500 426.84667900 37.00708300 0.00000000 0.00000000 P - G 2 2 10.4520200 5.2260100 261.19958000 26.96249600 0.00000000 0.00000000 D - G 2 2 7.8511000 3.9255500 124.79066600 16.30072600 0.00000000 0.00000000 F - G 2 2 4.7898200 2.3949100 30.49008900 5.17107400 0.00000000 0.00000000 37 6 No pseudopotential on this center. 38 1 No pseudopotential on this center. 39 6 No pseudopotential on this center. 40 1 No pseudopotential on this center. 41 6 No pseudopotential on this center. 42 1 No pseudopotential on this center. 43 1 No pseudopotential on this center. 44 1 No pseudopotential on this center. 0.10000e-02 0.10000e-05 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 44 44 44 1.00e+00 60 F Grimme-D3 -0.0483592637 PCM (using non-symmetric T matrix) UFF Total charges None On-the-fly selection Dichloromethane 8.930000 2.028346 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 432.12221099999994 AuxInfo=1/0/N:41,15,19,8,37,4,7,3,39,12,9,14,2,1;24,28,32,23;36/E:(2,3);(1,2,3);/CRV:4.2,5.3,6.3,7.2,8.3,9.3,10.3,12.3,13.3,14.3;;/rA:44nC3C3C3C3HHC2C3CHHC3HC3CHHHCHHHP4CHHHCHHHCHHHAuC3HC3HCHHH/rB:s1;s2;;s3;s4;s2;s7;s1;s9;s9;s9;s12;s12;s14;s15;s15;s15;s14;s19;s19;s19;;s23;s24;s24;s24;s23;s28;s28;s28;s23;s32;s32;s32;s8s23;s3s4;s37;s1s4;s39;s8;s41;s41;s41;/rC:2.8743,-1.4166,-.7564;1.8646,-.9797,.1318;1.2766,-1.8773,1.0504;2.6402,-3.6538,.1511;.5152,-1.5156,1.7341;2.9503,-4.6945,.1576;1.44,.3753,.0734;.6275,1.3598,.1037;3.5314,-.3898,-1.6586;2.9913,-.3632,-2.6136;4.5512,-.7173,-1.8933;3.5352,1.0079,-1.0644;3.0857,1.7919,-1.6689;4.1683,1.3747,.0819;4.9075,.413,.9724;5.9616,.7128,1.0404;4.5053,.4546,1.9931;4.8691,-.6223,.6308;4.2062,2.8102,.5341;3.7175,2.9243,1.51;5.2486,3.1295,.6654;3.7196,3.4837,-.175;-3.4972,-.3196,-.083;-4.7289,.8758,.5599;-5.7358,.4537,.4787;-4.5091,1.0983,1.6075;-4.6738,1.8024,-.018;-3.7593,-1.8572,.8812;-4.8011,-2.1822,.792;-3.0987,-2.6417,.5019;-3.5228,-1.6725,1.9326;-4.0472,-.7133,-1.7866;-3.9813,.1849,-2.4067;-3.3987,-1.4847,-2.2107;-5.0815,-1.0723,-1.7716;-1.3152,.4748,.0228;1.6571,-3.2143,1.045;1.2002,-3.909,1.7425;3.2487,-2.7578,-.7343;4.0344,-3.103,-1.4003;.7838,2.8914,.1422;1.4486,3.1622,.9357;1.1834,3.2327,-.7899;-.1718,3.3434,.3075;/R:/0/N:15,19,41,24,28,32,4,37,39,3,12,9,7,14,8,1,2,36,23/E:(1,2)(4,5,6)/CRV:7.3,8.3,9.3,10.3,11.3,13.2,14.3,15.3,16.3,17.3,18.2,19.4 0.000000 1.414007 0.000000 2.455523 1.412480 0.000000 2.425574 2.784366 2.413387 0.000000 3.431875 2.162223 1.085291 3.404897 0.000000 3.403731 3.870213 3.396315 1.085868 4.303454 0.000000 2.440661 1.421162 2.460694 4.204765 2.681119 5.290565 0.000000 3.673840 2.646691 3.434600 5.402812 3.307427 6.484837 1.276942 0.000000 1.516570 2.516280 3.825593 3.837049 4.677038 4.708120 2.821158 3.820937 0.000000 2.138342 3.030984 4.319429 4.312201 5.134315 5.142110 3.189342 3.992517 1.097528 0.000000 2.143268 3.374622 4.553493 4.056427 5.484950 4.752574 3.839479 4.868142 1.096584 1.754353 0.000000 2.531811 2.858756 4.230579 4.900024 4.829048 5.861110 2.466682 3.153247 1.518766 2.139125 2.167042 0.000000 3.342485 3.523603 4.912269 5.759087 5.396980 6.740017 2.784042 3.061310 2.226809 2.354987 2.914560 1.087256 0.000000 3.188837 3.294339 4.458129 5.256008 4.942486 6.190617 2.905550 3.540897 2.558962 3.416358 2.902561 1.359927 2.100356 0.000000 3.235801 3.450442 4.293597 4.728036 4.857138 5.530003 3.582302 4.468751 3.075741 4.139325 3.101145 2.527012 3.492409 1.504728 0.000000 4.158668 4.524996 5.353307 5.557869 5.925370 6.251870 4.636113 5.454262 3.795530 4.830374 3.555450 3.225659 4.095818 2.138405 1.098012 0.000000 3.704279 3.534841 4.092794 4.873454 4.457545 5.683281 3.617669 4.407635 3.872494 4.917625 4.059541 3.255118 4.149011 2.147754 1.097853 1.759270 0.000000 2.556287 3.066565 3.828486 3.793187 4.579479 4.526407 3.614469 4.711502 2.661701 3.757599 2.545822 2.703824 3.781223 2.186397 1.090897 1.773076 1.774231 0.000000 4.615847 4.473128 5.551745 6.662071 5.811736 7.618378 3.713901 3.885380 3.937442 4.631956 4.295977 2.500783 2.673168 1.505574 2.535861 2.781544 2.786997 3.497300 0.000000 4.969110 4.535938 5.406016 6.802912 5.478909 7.775851 3.707928 3.738185 4.588902 5.323507 5.053674 3.214583 3.433242 2.154998 2.830491 3.185450 2.636997 3.831153 1.097340 0.000000 5.322274 5.349988 6.402605 7.285758 6.717489 8.170384 4.737271 4.980181 4.553588 5.295893 4.672441 3.229433 3.451988 2.141743 2.755021 2.547474 3.077483 3.771139 1.098090 1.760587 0.000000 5.006558 4.843264 6.017444 7.226016 6.237442 8.220974 3.862694 3.761590 4.152104 4.612535 4.614394 2.637102 2.344237 2.171446 3.486639 3.765842 3.807068 4.339319 1.092338 1.775469 1.780326 0.000000 6.500310 5.406604 5.147845 6.988610 4.564210 7.795410 4.988369 4.457403 7.203417 6.964693 8.259167 7.223581 7.092850 7.852237 8.502349 9.581087 8.303638 8.402199 8.337821 8.069303 9.431121 8.158167 0.000000 8.049658 6.862986 6.624635 8.659599 5.882048 9.495245 6.208285 5.397506 8.646135 8.438435 9.730231 8.423207 8.177681 8.923950 9.656309 10.702526 9.354280 9.714482 9.142130 8.743102 10.229420 8.872322 1.832780 0.000000 8.897048 7.742141 7.411691 9.334680 6.673002 10.102186 7.187661 6.438369 9.547765 9.294683 10.621706 9.414808 9.177218 9.954680 10.654779 11.713705 10.352460 10.660412 10.217586 9.825124 11.307147 9.950486 2.434006 1.094790 0.000000 8.150312 6.864368 6.529788 8.707261 5.664995 9.555134 6.186088 5.358508 8.805138 8.729762 9.881368 8.476822 8.300353 8.814731 9.462773 10.493065 9.045552 9.584593 8.946398 8.427374 10.011247 8.750869 2.427315 1.093348 1.787348 0.000000 8.239034 7.107287 7.077327 9.126558 6.403529 10.018332 6.278851 5.321099 8.649987 8.377360 9.745116 8.313429 7.933161 8.852968 9.732031 10.743325 9.493036 9.867487 8.954038 8.602817 10.034060 8.561559 2.427184 1.093442 1.787077 1.779116 0.000000 6.847002 5.741101 5.038786 6.686935 4.372156 7.320687 5.715755 5.495288 7.858667 7.747050 8.835340 8.074913 8.165408 8.598311 8.959690 10.056177 8.653621 8.719964 9.238795 8.897334 10.298417 9.250691 1.833809 2.917684 3.067360 3.134492 3.877887 0.000000 7.867353 6.805351 6.090755 7.612419 5.440079 8.172945 6.782932 6.518355 8.868367 8.696417 9.839844 9.116790 9.167924 9.674943 10.051046 11.147974 9.746991 9.796499 10.301538 9.957868 11.367784 10.278087 2.436213 3.067691 2.814236 3.393006 4.068151 1.094880 0.000000 6.225860 5.247249 4.475309 5.838045 3.980804 6.397083 5.466797 5.482292 7.327828 7.210129 8.243917 7.731845 7.913052 8.313652 8.582076 9.676358 8.344583 8.220760 9.115181 8.857696 10.149476 9.190644 2.427625 3.877355 4.066466 4.147237 4.743582 1.093498 1.786972 0.000000 6.944046 5.722500 4.884087 6.714337 4.045940 7.360958 5.681517 5.455730 8.018961 8.050828 8.985574 8.122916 8.285262 8.477205 8.737344 9.820358 8.305352 8.556981 9.043685 8.586755 10.079844 9.136784 2.427716 3.135785 3.395858 2.959074 4.147904 1.093388 1.787369 1.779391 0.000000 7.033047 6.221021 6.143815 7.558017 5.818504 8.282226 5.895301 5.451953 7.586594 7.095544 8.599126 7.808750 7.560961 8.680163 9.437565 10.497720 9.423182 9.238677 9.269291 9.186498 10.353344 8.974119 1.833039 2.914779 3.056936 3.874981 3.138336 2.917054 3.061993 3.139436 3.876632 0.000000 7.231062 6.478838 6.621905 8.069898 6.344815 8.856158 5.964753 5.378047 7.571722 6.997168 8.595488 7.679624 7.284874 8.603753 9.512169 10.536733 9.563170 9.391918 9.087136 9.061880 10.163651 8.669835 2.426644 3.136346 3.387617 4.150498 2.966717 3.876894 4.062929 4.150772 4.742384 1.093415 0.000000 6.439749 5.783149 5.713767 6.837528 5.557067 7.498080 5.664815 5.445921 7.037756 6.500148 7.993204 7.456929 7.285416 8.407819 9.095412 10.149584 9.160057 8.784912 9.155066 9.161044 10.214653 8.916220 2.427894 3.875256 4.056148 4.741720 4.151974 3.135128 3.386689 2.964272 4.149463 1.093413 1.779212 0.000000 8.027677 7.202738 7.002605 8.365743 6.618860 9.019494 6.930322 6.482583 8.640589 8.147431 9.640007 8.892328 8.655427 9.745803 10.464938 11.534428 10.412060 10.246363 10.327191 10.206114 11.415094 10.038138 2.434747 3.058637 2.796573 4.056838 3.391920 3.066272 2.807696 3.400506 4.063427 1.094882 1.787219 1.787328 0.000000 4.662295 3.498402 3.647668 5.719037 3.200103 6.703270 2.757513 2.136342 5.202325 5.118475 6.285552 4.999251 4.895384 5.557160 6.295057 7.351480 6.145029 6.310249 6.016803 5.791465 7.109470 5.868732 2.324505 3.478856 4.444045 3.619480 3.611689 3.485517 4.449987 3.622553 3.623772 3.485580 3.618634 3.628918 4.449478 0.000000 2.821101 2.422892 1.390167 1.399580 2.159682 2.156536 3.725084 4.782187 4.335943 4.826444 4.821310 5.079791 5.871025 5.319092 4.871164 5.826786 4.740502 4.148195 6.561602 6.491935 7.299871 7.113780 6.018219 7.599025 8.272186 7.545637 8.147249 5.586219 6.544956 4.820814 5.476868 6.841961 7.433753 6.257160 7.611149 4.846541 0.000000 3.906342 3.408288 2.147751 2.161384 2.489460 2.488346 4.604156 5.547475 5.420966 5.895488 5.885226 6.124307 6.906058 6.283668 5.746055 6.672723 5.479739 5.049711 7.459532 7.285998 8.190922 8.042148 6.187255 7.710174 8.290797 7.595182 8.379928 5.435812 6.316616 4.650318 5.229178 7.085394 7.798984 6.531068 7.736612 5.338735 1.085294 0.000000 1.392565 2.413960 2.801715 1.398957 3.886843 2.152993 3.706687 4.952552 2.557627 3.054845 2.683894 3.790959 4.647553 4.311480 3.964621 4.749118 4.397364 3.008213 5.790360 6.127230 6.373298 6.284101 7.202564 8.861143 9.617983 8.974202 9.169201 7.247994 8.213371 6.467713 7.358227 7.649703 7.983092 6.927378 8.562044 5.643751 2.430563 3.414163 0.000000 2.145718 3.400540 3.887685 2.157355 4.972813 2.476985 4.582679 5.812587 2.771463 3.172793 2.490241 4.154688 4.993215 4.718492 4.330600 4.922503 4.938925 3.312958 6.223941 6.700650 6.677215 6.707016 8.136905 9.821875 10.565876 9.984454 10.089943 8.215859 9.149877 7.396834 8.382526 8.436429 8.722142 7.650314 9.346731 6.591241 3.412317 4.308175 1.086346 0.000000 4.872061 4.019197 4.879326 6.803405 4.693414 7.889181 2.601212 1.540000 4.643066 4.802049 5.599978 3.545867 3.128487 3.709240 4.882229 5.688781 4.818049 5.410571 3.445681 3.237088 4.501619 3.011660 5.356168 5.884499 6.968573 5.777262 5.567524 6.613328 7.573310 6.768975 6.525501 6.328748 6.043883 6.494630 7.333153 3.203189 6.233593 6.998560 6.225500 6.991293 0.000000 5.085496 4.239721 5.043723 6.963781 4.836397 8.036676 2.917325 2.148263 4.866758 5.235108 5.716746 3.604915 3.367785 3.364679 4.418553 5.135952 4.218208 5.110352 2.808860 2.352600 3.809788 2.548476 6.133629 6.597725 7.691532 6.340655 6.343660 7.233258 8.224442 7.385907 7.005921 7.254944 7.037020 7.415530 8.240261 3.961608 6.380903 7.121427 6.409026 7.169124 1.070000 0.000000 4.947382 4.365557 5.432020 7.101535 5.418784 8.176755 2.996005 2.148263 4.403411 4.418677 5.306852 3.248962 2.543061 3.622397 4.992511 5.703599 5.147656 5.519396 3.326988 3.436089 4.319078 2.621718 5.918305 6.506290 7.563526 6.535031 6.078486 7.289056 8.224186 7.383334 7.322656 6.627449 6.211034 6.728152 7.664504 3.809142 6.719764 7.577398 6.336716 6.974341 1.070000 1.747303 0.000000 5.750592 4.782025 5.468593 7.542797 5.110548 8.624264 3.385691 2.148263 5.613921 5.681296 6.606115 4.591114 4.113949 4.771065 5.901578 6.713854 5.749991 6.422021 4.416155 4.092522 5.436409 3.923700 4.962721 5.188463 6.271993 5.053929 4.769569 6.344028 7.224813 6.665349 6.247416 5.988421 5.644072 6.329732 6.922874 3.101256 6.847861 7.519276 7.071766 7.884495 1.070000 1.747303 1.747303 0.000000 0.4358462 0.1493788 0.1223704 -10.22234 -10.21993 -10.21436 -10.20898 -10.20812 -10.20734 -10.20633 -10.20611 -10.20594 -10.20584 -10.20460 -10.18764 -10.18656 -6.61780 -4.77917 -4.77915 -4.77744 -4.18343 -2.37292 -2.35137 -2.35033 -0.89822 -0.84205 -0.82633 -0.80501 -0.79827 -0.78069 -0.74056 -0.72549 -0.72520 -0.71937 -0.70877 -0.66862 -0.64583 -0.61510 -0.58345 -0.56089 -0.53668 -0.50437 -0.49233 -0.48941 -0.48474 -0.47282 -0.46037 -0.46016 -0.45791 -0.45407 -0.45111 -0.44484 -0.44069 -0.43360 -0.43330 -0.43163 -0.42083 -0.41925 -0.41136 -0.40114 -0.39544 -0.39311 -0.38086 -0.37966 -0.37786 -0.37669 -0.36822 -0.35293 -0.35079 -0.33920 -0.33147 -0.32469 -0.32450 -0.30798 -0.28741 -0.27459 -0.26328 -0.24529 -0.10555 -0.05316 -0.03331 -0.02342 -0.02008 -0.01284 0.00409 0.01964 0.02897 0.04112 0.05057 0.05486 0.08500 0.08825 0.08993 0.09315 0.09853 0.10099 0.10309 0.10479 0.11626 0.12219 0.12623 0.13178 0.13925 0.14104 0.14179 0.15192 0.15400 0.16069 0.16574 0.16796 0.16835 0.17285 0.17826 0.18070 0.18269 0.18403 0.19278 0.20017 0.20148 0.20643 0.21100 0.21701 0.22707 0.22933 0.23660 0.23912 0.24788 0.26328 0.27164 0.29174 0.30496 0.31141 0.31804 0.32922 0.33289 0.36133 0.38867 0.39077 0.39575 0.40060 0.43448 0.45494 0.46366 0.47689 0.48313 0.49506 0.50318 0.50671 0.51684 0.52784 0.53228 0.54113 0.55016 0.55814 0.57421 0.58697 0.59303 0.59884 0.60491 0.60822 0.61372 0.61721 0.61956 0.62454 0.63492 0.63997 0.65869 0.66203 0.66470 0.66927 0.67866 0.68247 0.68929 0.69243 0.69633 0.70288 0.72222 0.72978 0.73812 0.75004 0.76025 0.77109 0.77643 0.78765 0.79308 0.80150 0.81174 0.81388 0.82096 0.82229 0.82411 0.83613 0.84399 0.85229 0.85766 0.86150 0.86737 0.87909 0.88276 0.88830 0.89002 0.89436 0.89758 0.90326 0.91090 0.91347 0.91727 0.92451 0.93538 0.93687 0.94149 0.94313 0.95832 0.96479 0.96644 0.98541 0.99276 1.00451 1.00664 1.02020 1.02436 1.02855 1.04391 1.06216 1.06692 1.09518 1.10239 1.11172 1.12797 1.14962 1.17018 1.17888 1.20728 1.21501 1.22481 1.23105 1.23482 1.26925 1.28873 1.32047 1.32287 1.33678 1.35100 1.36065 1.37236 1.39556 1.40490 1.41419 1.43006 1.44266 1.45646 1.46854 1.47367 1.50172 1.53368 1.55498 1.61743 1.63365 1.66107 1.67479 1.67677 1.70039 1.72740 1.74393 1.75524 1.75671 1.78241 1.79550 1.79820 1.80819 1.82864 1.83319 1.85270 1.86319 1.86863 1.89044 1.89912 1.91226 1.92466 1.93426 1.98412 1.99511 2.00178 2.03945 2.05276 2.07641 2.08145 2.09142 2.09919 2.10293 2.11785 2.15979 2.17429 2.19295 2.20493 2.20610 2.20945 2.21534 2.22714 2.22949 2.23791 2.23894 2.25046 2.25539 2.25583 2.25897 2.26173 2.27224 2.27980 2.29214 2.32290 2.34879 2.38678 2.40042 2.42093 2.43997 2.46944 2.49245 2.50565 2.56728 2.60126 2.61096 2.62676 2.65786 2.69248 2.70912 2.72949 2.76273 2.79204 2.84107 2.86485 2.93516 2.99328 3.12860 3.23505 3.42913 43.62443 43.66504 43.85117 87.86775 -3.3331 -1.0256 -0.0789 3.4882 -65.5368 -112.0374 -129.8499 4.1625 -1.2806 -0.4501 36.9379 -9.5627 -27.3752 4.1625 -1.2806 -0.4501 -268.2674 31.6915 -1.7731 -25.8640 2.5515 -10.5202 -65.2979 15.5196 9.8391 11.5322 -6611.3206 -2365.3570 -722.7043 37.5909 11.9362 -146.8986 -35.3162 -13.8022 -0.9954 -1559.0186 -1372.4225 -549.3259 74.9278 -5.6313 -14.4916 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 432.12221099999994 AuxInfo=1/0/N:41,15,19,8,37,4,7,3,39,12,9,14,2,1;24,28,32,23;36/E:(2,3);(1,2,3);/CRV:4.2,5.3,6.3,7.2,8.3,9.3,10.3,12.3,13.3,14.3;;/rA:44nC3C3C3C3HHC2C3CHHC3HC3CHHHCHHHP4CHHHCHHHCHHHAuC3HC3HCHHH/rB:s1;s2;;s3;s4;s2;s7;s1;s9;s9;s9;s12;s12;s14;s15;s15;s15;s14;s19;s19;s19;;s23;s24;s24;s24;s23;s28;s28;s28;s23;s32;s32;s32;s8s23;s3s4;s37;s1s4;s39;s8;s41;s41;s41;/rC:2.7998,-1.4026,-.7591;1.8086,-.9424,.1323;1.2268,-1.8217,1.0687;2.5711,-3.6245,.1908;.4778,-1.446,1.7591;2.8743,-4.6671,.2108;1.39,.4274,.0586;.7099,1.4829,.102;3.4484,-.3976,-1.6876;2.8774,-.3553,-2.6242;4.4518,-.7485,-1.9584;3.5019,.9933,-1.0834;3.053,1.789,-1.6734;4.1509,1.3326,.0515;4.8766,.3481,.9325;5.8877,.7141,1.1511;4.3624,.2499,1.8987;4.9608,-.6487,.4959;4.1796,2.7571,.5439;3.646,2.8483,1.5;5.2128,3.0766,.7321;3.7296,3.455,-.1674;-3.3944,-.3405,-.0821;-4.6239,.8345,.6012;-5.6295,.4083,.5266;-4.3902,1.0379,1.6497;-4.5824,1.7725,.0408;-3.6346,-1.8997,.8526;-4.6745,-2.2312,.7661;-2.9713,-2.6704,.4505;-3.3895,-1.7351,1.9053;-3.9634,-.7033,-1.7862;-3.9144,.2078,-2.3886;-3.3134,-1.4598,-2.2343;-4.9939,-1.0728,-1.7648;-1.2227,.4602,.0196;1.6039,-3.1609,1.089;1.1538,-3.8377,1.8085;3.1682,-2.7471,-.7183;3.9401,-3.1071,-1.393;.7463,2.9694,.1273;1.1168,3.3158,1.0983;1.4295,3.3287,-.6493;-.237,3.4103,-.0446;/R:/0/N:15,19,41,24,28,32,4,37,39,3,12,9,7,14,8,1,2,36,23/E:(1,2)(4,5,6)/CRV:7.3,8.3,9.3,10.3,11.3,13.2,14.3,15.3,16.3,17.3,18.2,19.4 0.000000 1.410228 0.000000 2.447639 1.410186 0.000000 2.427233 2.788976 2.414117 0.000000 3.425620 2.161316 1.085690 3.403981 0.000000 3.406386 3.874967 3.398046 1.086008 4.302994 0.000000 2.450506 1.434224 2.470902 4.222579 2.689517 5.308514 0.000000 3.665404 2.662760 3.481711 5.436689 3.373249 6.520692 1.256398 0.000000 1.514250 2.509551 3.815925 3.835519 4.669455 4.707737 2.822593 3.773374 0.000000 2.140398 3.014177 4.302632 4.324999 5.114820 5.160312 3.165844 3.938195 1.097723 0.000000 2.143675 3.375651 4.551484 4.053050 5.486270 4.748619 3.850452 4.819384 1.096944 1.753995 0.000000 2.517613 2.844614 4.210912 4.879928 4.814048 5.840302 2.466682 3.072440 1.517370 2.140735 2.168418 0.000000 3.329587 3.502775 4.887880 5.745698 5.373935 6.727806 2.760346 2.955647 2.222046 2.352212 2.911495 1.087500 0.000000 3.156570 3.266246 4.419824 5.204586 4.912063 6.136119 2.905550 3.444642 2.551729 3.410268 2.908838 1.350652 2.094913 0.000000 3.199987 3.423207 4.248300 4.652629 4.822016 5.448223 3.595379 4.397617 3.075813 4.140221 3.120957 2.523859 3.491697 1.507326 0.000000 4.202978 4.518967 5.306734 5.544833 5.856866 6.238811 4.637431 5.338701 3.904413 4.945560 3.724307 3.280758 4.143517 2.146725 1.097303 0.000000 3.498155 3.326253 3.848760 4.597482 4.241001 5.407536 3.500464 4.253191 3.757201 4.798797 3.985292 3.191584 4.104043 2.151581 1.098950 1.760921 0.000000 2.610349 3.186698 3.955680 3.828755 4.725364 4.536880 3.755049 4.771733 2.668018 3.763217 2.508563 2.705342 3.779911 2.186088 1.091449 1.773550 1.770157 0.000000 4.572170 4.413287 5.473552 6.590597 5.731153 7.545433 3.666776 3.722606 3.932692 4.628134 4.315674 2.493674 2.668869 1.507455 2.537653 2.731301 2.855616 3.494499 0.000000 4.887751 4.428998 5.277073 6.690765 5.342816 7.664179 3.609463 3.526938 4.553659 5.278556 5.054466 3.183698 3.397688 2.156545 2.843869 3.114835 2.724679 3.868596 1.098756 0.000000 5.301863 5.300989 6.324160 7.223295 6.627896 8.105930 4.699572 4.817962 4.586698 5.338221 4.738116 3.250139 3.479760 2.152310 2.756414 2.492537 3.173999 3.741253 1.097677 1.759765 0.000000 4.981052 4.808024 5.969569 7.182568 6.189176 8.175785 3.832960 3.616687 4.151165 4.613070 4.625886 2.636439 2.345481 2.174827 3.489679 3.729401 3.865453 4.335413 1.093442 1.776354 1.775370 0.000000 6.320865 5.242068 4.987314 6.815117 4.427884 7.622390 4.847598 4.494868 7.028836 6.767409 8.077696 7.095036 6.973940 7.729685 8.361388 9.422861 8.027479 8.380851 8.206851 7.889110 9.296375 8.072459 0.000000 7.871778 6.689835 6.442339 8.474568 5.706884 9.308152 6.051949 5.396169 8.480464 8.251562 9.561648 8.300023 8.063467 8.806046 9.518678 10.526642 9.098278 9.699346 9.011159 8.558808 10.089773 8.788556 1.832822 0.000000 8.716898 7.570018 7.230145 9.144714 6.500512 9.908234 7.035046 6.443822 9.378724 9.103755 10.447286 9.290625 9.062688 9.835429 10.514104 11.538175 10.086929 10.642984 10.086409 9.640276 11.167655 9.866969 2.434551 1.094748 0.000000 7.965772 6.682004 6.329696 8.504462 5.466191 9.348264 6.026126 5.348279 8.639549 8.545499 9.715471 8.351998 8.185854 8.694289 9.320052 10.295061 8.791518 9.571685 8.810186 8.238866 9.859738 8.664592 2.427164 1.093346 1.787113 0.000000 8.075744 6.944389 6.908096 8.962318 6.238404 9.853926 6.122012 5.300593 8.496536 8.202405 9.590087 8.199189 7.825533 8.744392 9.607154 10.581924 9.261785 9.856129 8.831542 8.425732 9.905777 8.483189 2.427245 1.093472 1.787012 1.779100 0.000000 6.651769 5.573533 4.866842 6.474895 4.235549 7.101855 5.593940 5.557014 7.673245 7.541897 8.638130 7.940208 8.044357 8.467811 8.803436 9.879082 8.346763 8.693366 9.101827 8.716058 10.151585 9.162171 1.833680 2.918447 3.067961 3.136218 3.878433 0.000000 7.673175 6.640315 5.923227 7.400791 5.305574 7.951508 6.659299 6.574754 8.681304 8.487936 9.639031 8.981700 9.045866 9.544575 9.894679 10.971953 9.439561 9.768198 10.165019 9.775989 11.221949 10.189872 2.435723 3.070466 2.817075 3.398320 4.069859 1.094860 0.000000 6.031200 5.092617 4.327389 5.629930 3.886892 6.181824 5.363782 5.560800 7.137920 7.001488 8.037322 7.594535 7.790325 8.179761 8.422197 9.509348 8.025538 8.185859 8.977832 8.680177 10.004306 9.099686 2.427103 3.877834 4.068156 4.147642 4.743704 1.093468 1.787045 0.000000 6.746620 5.549112 4.692292 6.483713 3.880878 7.120622 5.561476 5.514781 7.839360 7.854619 8.797044 7.991716 8.169002 8.348962 8.579932 9.624680 8.002073 8.537878 8.906442 8.406525 9.926142 9.050712 2.427910 3.134782 3.392972 2.959092 4.147598 1.093352 1.787492 1.779392 0.000000 6.876389 6.087253 6.028264 7.425796 5.731142 8.151926 5.774149 5.494104 7.418829 6.900799 8.417129 7.687871 7.446837 8.565313 9.308257 10.377030 9.154672 9.211638 9.149518 9.017578 10.238793 8.893576 1.832875 2.915623 3.059512 3.875555 3.138622 2.915943 3.058474 3.139506 3.875748 0.000000 7.094252 6.358529 6.519495 7.962534 6.263426 8.752584 5.845783 5.404908 7.420850 6.819215 8.431664 7.571097 7.180305 8.501057 9.398470 10.433969 9.321432 9.371452 8.978406 8.902400 10.063497 8.597040 2.427130 3.136090 3.388247 4.150137 2.965899 3.876231 4.059378 4.151367 4.742167 1.093369 0.000000 6.288880 5.666002 5.626216 6.722717 5.506460 7.385985 5.562395 5.504955 6.866538 6.300655 7.802578 7.334157 7.169407 8.290816 8.965118 10.042287 8.883895 8.750728 9.035799 8.996523 10.103157 8.833521 2.427165 3.875695 4.059135 4.741701 4.151399 3.134600 3.383823 2.964925 4.149481 1.093401 1.779270 0.000000 7.865187 7.063304 6.876523 8.219804 6.518974 8.872997 6.806533 6.523022 8.469638 7.950560 9.453250 8.769895 8.541155 9.628702 10.330606 11.406374 10.134698 10.217036 10.205472 10.034006 11.297263 9.957535 2.434350 3.061458 2.801440 4.059386 3.394873 3.063006 2.801644 3.398623 4.059846 1.094898 1.787298 1.787263 0.000000 4.500764 3.342038 3.508293 5.577418 3.090608 6.565958 2.613190 2.188092 5.046777 4.946312 6.129752 4.880826 4.786837 5.444066 6.168313 7.204411 5.896581 6.300262 5.893718 5.621286 6.983471 5.790463 2.316795 3.470733 4.436123 3.608843 3.606939 3.475691 4.440241 3.611632 3.615310 3.482279 3.620503 3.624528 4.444747 0.000000 2.817305 2.424645 1.391425 1.398970 2.158213 2.157269 3.739409 4.830990 4.329871 4.825032 4.818363 5.057539 5.850803 5.268302 4.800867 5.776707 4.460815 4.234626 6.477153 6.359987 7.215107 7.061662 5.857365 7.415248 8.085619 7.339851 7.981719 5.393414 6.355112 4.645517 5.256774 6.730677 7.341232 6.173996 7.485682 4.716588 0.000000 3.902774 3.408985 2.148666 2.161302 2.485820 2.490143 4.616135 5.605183 5.415044 5.894642 5.882979 6.100395 6.884040 6.229090 5.669908 6.600060 5.197316 5.136770 7.365144 7.142022 8.089590 7.982616 6.040719 7.527794 8.104579 7.384585 8.216025 5.253441 6.134885 4.497021 5.007187 6.995175 7.724536 6.477256 7.629371 5.226883 1.085525 0.000000 1.394695 2.414325 2.796238 1.397413 3.881828 2.153140 3.720636 4.960779 2.557058 3.072081 2.679530 3.772976 4.636990 4.266433 3.901852 4.782336 4.154223 3.015225 5.736926 6.038070 6.340349 6.251791 7.018789 8.676680 9.428959 8.778539 9.004176 7.033077 7.998609 6.250209 7.135201 7.495175 7.853948 6.779855 8.397508 5.487419 2.425800 3.410567 0.000000 2.146571 3.399405 3.882609 2.156446 4.968169 2.478234 4.593841 5.808452 2.769566 3.196538 2.478824 4.135404 4.983744 4.673567 4.268914 4.986723 4.720561 3.264036 6.180444 6.627488 6.661418 6.678916 7.947795 9.636139 10.374042 9.789465 9.924762 7.992355 8.924206 7.166382 8.153846 8.270412 8.583363 7.485693 9.170281 6.432480 3.408961 4.306622 1.086603 0.000000 4.910928 4.053529 4.906346 6.842068 4.715017 7.927958 2.623192 1.487182 4.683183 4.813172 5.648407 3.600581 3.155482 3.778408 4.957750 5.706955 4.859041 5.566792 3.465054 3.210480 4.508523 3.036945 5.305159 5.798365 6.882532 5.694862 5.462165 6.589905 7.539186 6.762569 6.511430 6.271555 5.973133 6.455697 7.271131 3.191354 6.264294 7.023489 6.265767 7.031145 0.000000 5.342856 4.420914 5.138816 7.148901 4.849800 8.222191 3.082021 2.125507 5.194922 5.516724 6.081537 3.980279 3.709789 3.772928 4.792845 5.434523 4.535962 5.554924 3.162388 2.603230 4.119293 2.906619 5.925602 6.273677 7.368344 5.984910 5.998411 7.059600 8.026117 7.277826 6.816878 7.091032 6.865190 7.317030 8.049692 3.845960 6.495042 7.188791 6.653419 7.445316 1.095466 0.000000 4.926929 4.358541 5.433180 7.096176 5.431808 8.170694 2.986698 2.118777 4.363357 4.423618 5.241338 3.152312 2.460718 3.446934 4.823730 5.472976 4.957161 5.440704 3.051851 3.124609 4.035450 2.353453 6.087266 6.665466 7.729240 6.663481 6.248325 7.432188 8.377035 7.521011 7.442533 6.828896 6.428249 6.923628 7.866234 3.963576 6.720635 7.581157 6.320066 6.948111 1.095021 1.775437 0.000000 5.735570 4.812719 5.545859 7.578242 5.229625 8.659722 3.399375 2.152459 5.548142 5.525768 6.553149 4.571681 4.013226 4.855908 6.039952 6.797938 5.909290 6.617055 4.503316 4.216543 5.514950 3.968791 4.903000 5.128034 6.198183 5.074236 4.644624 6.367521 7.223251 6.685555 6.341616 5.817378 5.410514 6.162533 6.759108 3.111098 6.917748 7.609354 7.068491 7.857755 1.091238 1.774219 1.774727 0.000000 0.4374539 0.1561537 0.1271803 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 79. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 359 359 359 359 359 MxSgAt= 44 MxSgA2= 44. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 79. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 359 359 359 359 359 MxSgAt= 44 MxSgA2= 44. 1 -1.31132293e+00 -4.03500008e-01 -3.10510720e-02 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 6 6 6 6 1 1 6 6 6 1 1 6 1 6 6 1 1 1 6 1 1 1 15 6 1 1 1 6 1 1 1 6 1 1 1 79 6 1 6 1 6 1 1 1 -0.001024058 0.000457613 0.001878685 0.004756164 -0.002783284 -0.000451414 0.000422876 0.001100954 -0.001348906 0.000184348 0.000011979 -0.000060024 -0.000020341 0.000077799 0.000114688 0.000000668 -0.000098142 -0.000029683 -0.020437526 0.005895218 0.001315023 0.018618356 0.014085837 0.000307200 -0.000573575 0.000124299 0.000088616 0.000040509 -0.000008704 -0.000148138 0.000056366 0.000023205 -0.000093796 0.005318020 0.001538365 0.002242257 -0.000102936 -0.000265466 -0.000194716 -0.001320504 -0.001766935 -0.004562890 0.000329816 0.000359246 0.000408993 0.000165256 -0.000111966 0.000126603 0.000019750 -0.000276392 0.000192437 -0.000106996 0.000039698 -0.000002685 -0.000203647 -0.000847112 0.000035089 0.000652922 0.000099939 0.000771952 -0.000397557 0.000666231 -0.000003343 0.000238302 0.000542825 -0.000473067 0.001150304 0.000757208 0.000222519 -0.000457757 -0.000332326 -0.000102423 -0.000135465 0.000171683 0.000110417 0.000003331 0.000004350 0.000042741 0.000007435 -0.000062558 -0.000004992 -0.000364327 -0.000022261 -0.000163667 -0.000032307 -0.000142113 0.000032143 0.000017068 0.000047739 -0.000019526 0.000002178 -0.000030901 -0.000027007 -0.000387804 -0.000083425 0.000048246 0.000024221 0.000042453 -0.000018199 0.000031909 0.000015586 0.000018585 -0.000022734 -0.000021009 -0.000129033 0.000035771 -0.001797705 -0.000415784 0.000339880 -0.000510791 -0.000437112 -0.000013501 -0.000137454 0.000061953 0.000053427 -0.000839944 0.000270858 0.000034712 -0.000163071 -0.000137875 -0.010640079 -0.033782826 0.002508275 0.009435048 0.004157427 0.011475257 0.006252369 0.004781174 -0.015014133 -0.011949892 0.009083556 0.001565878 0.033782826 0.004865486 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1139.88418547081 -1139.88418702761 -0.000001556798 -1139.88418704431 -0.000000016706 -1139.88418704616 -0.000000001851 -1139.88418704734 -0.000000001176 -1139.88418704744 -0.000000000097 -1139.88418704746 -0.000000000021 -1139.88418705 7 1.044581827170e+03 -6.057161192689e+03 2.148862891273e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep R1 ints in memory in canonical form, NReq=1744654004. IVT= 423383 IEndB= 423383 NGot= 5502926848 MDV= 3782386935 LenX= 3782386935 LenY= 3782254725 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 58653 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) PT34963.500S 2022-09-19T13:33:04.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 C C C C H H C C C H H C H C C H H H C H H H P C H H H C H H H C H H H Au C H C H C H H H 0.149713 0.067249 -0.142301 -0.113662 0.194634 0.166147 0.141049 -0.216345 -0.364825 0.190419 0.183151 -0.236938 0.156764 0.218243 -0.521057 0.177134 0.176234 0.170210 -0.517663 0.174386 0.174017 0.168367 0.665251 -0.657485 0.209606 0.221879 0.221927 -0.657661 0.209707 0.221472 0.220947 -0.654325 0.221241 0.221329 0.209363 -0.128884 -0.154168 0.165816 -0.201750 0.161646 -0.508165 0.203867 0.204553 0.208907 1.00000 -10.21804 -10.21559 -10.21296 -10.21204 -10.20767 -10.20760 -10.20746 -10.20717 -10.20650 -10.20427 -10.19659 -10.18450 -10.18350 -6.62089 -4.78222 -4.78219 -4.78065 -4.18753 -2.37730 -2.35598 -2.35405 -0.89698 -0.84061 -0.82902 -0.80679 -0.79600 -0.78279 -0.73817 -0.72690 -0.72658 -0.72529 -0.70490 -0.66664 -0.64437 -0.61423 -0.58531 -0.55948 -0.53354 -0.50439 -0.49061 -0.48734 -0.48296 -0.47777 -0.46237 -0.46177 -0.46148 -0.45401 -0.45188 -0.44475 -0.44226 -0.43505 -0.43469 -0.42953 -0.42046 -0.41889 -0.40911 -0.39983 -0.39336 -0.39064 -0.38273 -0.38152 -0.37506 -0.37480 -0.36691 -0.35554 -0.34625 -0.34445 -0.33405 -0.32870 -0.32793 -0.30874 -0.28987 -0.27251 -0.26147 -0.24302 -0.09143 -0.04857 -0.03315 -0.02593 -0.01894 -0.01221 0.00748 0.01780 0.02692 0.03886 0.04853 0.05540 0.08456 0.08527 0.08914 0.09317 0.09745 0.10051 0.10266 0.10487 0.11623 0.12041 0.12694 0.13114 0.13926 0.14073 0.14433 0.15254 0.15508 0.16124 0.16563 0.16794 0.17017 0.17309 0.17682 0.18162 0.18303 0.18780 0.19393 0.19732 0.20379 0.20702 0.21330 0.21606 0.22934 0.23172 0.23623 0.24099 0.25091 0.26290 0.27253 0.28976 0.30738 0.31247 0.31978 0.32530 0.33537 0.36148 0.38816 0.39006 0.39648 0.40053 0.44914 0.45580 0.46301 0.47669 0.47953 0.50016 0.50163 0.50709 0.51674 0.52829 0.53388 0.54719 0.55638 0.56362 0.58075 0.59132 0.59312 0.60529 0.60659 0.60922 0.61478 0.61704 0.62082 0.62579 0.64103 0.64194 0.65607 0.66456 0.66676 0.67422 0.67928 0.68461 0.68837 0.69358 0.69868 0.70332 0.72061 0.73022 0.74168 0.75571 0.76335 0.76992 0.78187 0.79237 0.79963 0.80525 0.81235 0.81771 0.81885 0.82612 0.82803 0.84427 0.84536 0.85267 0.86283 0.86468 0.86812 0.87759 0.88255 0.88513 0.89039 0.89395 0.89667 0.90543 0.90661 0.91363 0.91972 0.92753 0.93020 0.93725 0.94193 0.94593 0.95318 0.95688 0.96958 0.98250 0.98580 1.00507 1.01356 1.02102 1.02363 1.03020 1.04144 1.05519 1.06903 1.07522 1.10283 1.11854 1.12859 1.16015 1.17318 1.18044 1.20761 1.21974 1.23525 1.23607 1.24181 1.28016 1.28984 1.31934 1.32279 1.33712 1.35375 1.37321 1.38130 1.40816 1.40956 1.42058 1.43918 1.44580 1.46136 1.47321 1.49002 1.50370 1.53630 1.56570 1.61601 1.62007 1.66965 1.67257 1.67430 1.69194 1.72187 1.73656 1.75300 1.76953 1.78528 1.79460 1.80008 1.81178 1.82741 1.84276 1.85421 1.86174 1.87497 1.89262 1.89467 1.91251 1.93263 1.93652 1.98733 1.99125 2.00430 2.04248 2.05081 2.06264 2.07801 2.09634 2.10114 2.11537 2.12420 2.15737 2.17236 2.18803 2.20389 2.20410 2.21263 2.21748 2.22096 2.22823 2.23660 2.23772 2.24344 2.25096 2.25595 2.25864 2.26637 2.27370 2.28460 2.29091 2.31205 2.33393 2.39494 2.41347 2.43100 2.44733 2.46899 2.50093 2.51250 2.57586 2.60486 2.62763 2.65629 2.66050 2.69059 2.71499 2.73350 2.76851 2.81385 2.85387 2.87376 2.98584 3.01312 3.15116 3.28138 3.45221 43.62281 43.66880 43.82105 87.85322 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 C C C C H H C C C H H C H C C H H H C H H H P C H H H C H H H C H H H Au C H C H C H H H 0.155608 0.057502 -0.142895 -0.114430 0.194514 0.164095 0.200824 -0.216641 -0.368207 0.187468 0.180496 -0.239778 0.149982 0.216791 -0.521338 0.169993 0.174524 0.167129 -0.516317 0.170000 0.168469 0.163219 0.673226 -0.657875 0.211580 0.223303 0.223058 -0.658040 0.211380 0.222997 0.222110 -0.654475 0.222120 0.222721 0.211106 -0.134980 -0.157309 0.164030 -0.204833 0.159791 -0.528956 0.211576 0.201957 0.214501 1.00000 -1.82949928e+00 -3.08308201e-01 -4.90544389e-04 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -4.6501 -0.7836 -0.0012 4.7157 -72.4457 -112.1203 -129.9214 3.4047 -1.0853 -0.3446 32.3834 -7.2911 -25.0923 3.4047 -1.0853 -0.3446 -295.3011 37.4254 -0.6420 -34.1119 -3.1094 -9.6685 -69.6434 14.5565 10.2788 11.2675 -6500.4088 -2356.9340 -731.7274 -2.5638 17.6675 -155.4286 -27.4831 -9.5582 6.9891 -1530.0610 -1331.3050 -548.1962 73.0799 -3.5988 -20.9049 0 -1139.884187 3.035E-9 0.001376 24.0762596,-5.4207837,-18.6554759,2.5312826,-0.8068714,-0.2561884 C01 [X(C17H25Au1P1)] -2.7765975 0.0209978 0.0167778 -0.000001009 -0.000001643 0.000002558 -0.000000436 -0.000002112 -0.000002473 -0.000003790 -0.000000812 0.000000415 -0.000002961 -0.000000962 -0.000000248 -0.000003116 -0.000001258 -0.000001669 -0.000003505 -0.000001808 -0.000001219 -0.010661209 -0.002978538 0.004662424 0.000005130 0.000002924 0.000000598 0.000002017 0.000000529 0.000003144 0.000003376 0.000000437 0.000002616 0.000002320 -0.000000882 0.000004669 0.008606227 0.002304785 -0.004649219 0.000003402 -0.000000352 0.000004409 0.002062019 0.000673252 0.000001718 0.000000254 -0.000002870 0.000006188 -0.000000742 -0.000005322 0.000007270 -0.000002356 -0.000004307 0.000004328 -0.000001034 -0.000004005 0.000004593 0.000000785 -0.000002512 0.000007656 0.000000594 -0.000003834 0.000005921 0.000001465 -0.000003652 0.000008248 0.000003630 -0.000001933 0.000006514 0.000006952 0.000005346 -0.000008806 -0.000000043 0.000003110 -0.000005223 -0.000000594 0.000004246 -0.000006518 -0.000000258 0.000003340 -0.000006041 0.000001358 0.000003463 -0.000006451 -0.000001590 0.000001966 -0.000008002 -0.000002271 0.000002734 -0.000008219 -0.000001808 0.000002647 -0.000007114 -0.000003471 0.000001689 -0.000006607 0.000000732 0.000005038 -0.000005765 0.000003865 0.000005298 -0.000005569 0.000001582 0.000004650 -0.000006334 0.000001516 0.000006246 -0.000008061 -0.000015578 -0.000005236 0.000001003 -0.000003796 -0.000001815 -0.000001435 -0.000004847 -0.000002032 -0.000002752 -0.000000607 -0.000000693 0.000000127 -0.000000401 -0.000001187 0.000001757 0.000000834 -0.000010023 0.000003050 0.000001285 0.000000435 0.000002996 0.000002871 0.000003366 0.000004032 0.000003210 0.000002287 0.000001491 432.12221099999994 AuxInfo=1/0/N:41,15,19,8,37,4,7,3,39,12,9,14,2,1;24,28,32,23;36/E:(2,3);(1,2,3);/CRV:4.2,5.3,6.3,7.2,8.3,9.3,10.3,12.3,13.3,14.3;;/rA:44nC3C3C3C3HHC2C3CHHC3HC3CHHHCHHHP4CHHHCHHHCHHHAuC3HC3HCHHH/rB:s1;s2;;s3;s4;s2;s7;s1;s9;s9;s9;s12;s12;s14;s15;s15;s15;s14;s19;s19;s19;;s23;s24;s24;s24;s23;s28;s28;s28;s23;s32;s32;s32;s8s23;s3s4;s37;s1s4;s39;s8;s41;s41;s41;/rC:2.7998,-1.4026,-.7591;1.8086,-.9424,.1323;1.2268,-1.8217,1.0687;2.5711,-3.6245,.1908;.4778,-1.446,1.7591;2.8743,-4.6671,.2108;1.39,.4274,.0586;.7099,1.4829,.102;3.4484,-.3976,-1.6876;2.8774,-.3553,-2.6242;4.4518,-.7485,-1.9584;3.5019,.9933,-1.0834;3.053,1.789,-1.6734;4.1509,1.3326,.0515;4.8766,.3481,.9325;5.8877,.7141,1.1511;4.3624,.2499,1.8987;4.9609,-.6487,.4959;4.1796,2.7571,.5439;3.646,2.8483,1.5;5.2128,3.0766,.7321;3.7296,3.455,-.1674;-3.3944,-.3405,-.0821;-4.6239,.8345,.6012;-5.6295,.4083,.5266;-4.3902,1.0379,1.6497;-4.5824,1.7725,.0408;-3.6346,-1.8997,.8526;-4.6745,-2.2312,.7661;-2.9713,-2.6704,.4505;-3.3895,-1.7351,1.9053;-3.9634,-.7033,-1.7862;-3.9144,.2078,-2.3886;-3.3134,-1.4598,-2.2343;-4.9939,-1.0728,-1.7648;-1.2227,.4602,.0196;1.6039,-3.1609,1.089;1.1538,-3.8377,1.8085;3.1682,-2.7471,-.7183;3.9401,-3.1071,-1.393;.7463,2.9694,.1273;1.1168,3.3158,1.0983;1.4295,3.3287,-.6494;-.237,3.4103,-.0446;/R:/0/N:15,19,41,24,28,32,4,37,39,3,12,9,7,14,8,1,2,36,23/E:(1,2)(4,5,6)/CRV:7.3,8.3,9.3,10.3,11.3,13.2,14.3,15.3,16.3,17.3,18.2,19.4 Gaussian 09 GINC-KIMIK6011 EGARCIA opt freq EM64L-G09RevD.01 19-Sep-2022 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 RB3LYP GenECP FTS #p opt=(ts,noeigentest,calcfc,modredundant,maxstep=9) freq=noraman geom=checkpoint guess=read SCRF=(PCM,Solvent=Dichloromethane) B3LYPgenecp EmpiricalDispersion=GD3 nosymm scf(xqc,maxcyc=512) gfinput gfprint 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 432.12221099999994 AuxInfo=1/0/N:41,15,19,8,37,4,7,3,39,12,9,14,2,1;24,28,32,23;36/E:(2,3);(1,2,3);/CRV:4.2,5.3,6.3,7.2,8.3,9.3,10.3,12.3,13.3,14.3;;/rA:44nC3C3C3C3HHC2C3CHHC3HC3CHHHCHHHP4CHHHCHHHCHHHAuC3HC3HCHHH/rB:s1;s2;;s3;s4;s2;s7;s1;s9;s9;s9;s12;s12;s14;s15;s15;s15;s14;s19;s19;s19;;s23;s24;s24;s24;s23;s28;s28;s28;s23;s32;s32;s32;s8s23;s3s4;s37;s1s4;s39;s8;s41;s41;s41;/rC:2.7998,-1.4026,-.7591;1.8086,-.9424,.1323;1.2268,-1.8217,1.0687;2.5711,-3.6245,.1908;.4778,-1.446,1.7591;2.8743,-4.6671,.2108;1.39,.4274,.0586;.7099,1.4829,.102;3.4484,-.3976,-1.6876;2.8774,-.3553,-2.6242;4.4518,-.7485,-1.9584;3.5019,.9933,-1.0834;3.053,1.789,-1.6734;4.1509,1.3326,.0515;4.8766,.3481,.9325;5.8877,.7141,1.1511;4.3624,.2499,1.8987;4.9608,-.6487,.4959;4.1796,2.7571,.5439;3.646,2.8483,1.5;5.2128,3.0766,.7321;3.7296,3.455,-.1674;-3.3944,-.3405,-.0821;-4.6239,.8345,.6012;-5.6295,.4083,.5266;-4.3902,1.0379,1.6497;-4.5824,1.7725,.0408;-3.6346,-1.8997,.8526;-4.6745,-2.2312,.7661;-2.9713,-2.6704,.4505;-3.3895,-1.7351,1.9053;-3.9634,-.7033,-1.7862;-3.9144,.2078,-2.3886;-3.3134,-1.4598,-2.2343;-4.9939,-1.0728,-1.7648;-1.2227,.4602,.0196;1.6039,-3.1609,1.089;1.1538,-3.8377,1.8085;3.1682,-2.7471,-.7183;3.9401,-3.1071,-1.393;.7463,2.9694,.1273;1.1168,3.3158,1.0983;1.4295,3.3287,-.6493;-.237,3.4103,-.0446;/R:/0/N:15,19,41,24,28,32,4,37,39,3,12,9,7,14,8,1,2,36,23/E:(1,2)(4,5,6)/CRV:7.3,8.3,9.3,10.3,11.3,13.2,14.3,15.3,16.3,17.3,18.2,19.4 nproc=20 Mem=41GB Chk=Me-TS1-2-5exo #p opt=(ts,noeigentest,calcfc,modredundant,maxstep=9) freq=noraman geo 1/5=1,8=9,10=4,11=1,14=-1,18=120,26=3,29=2,38=1/1,3 2/9=110,12=2,15=1,40=1/2 3/5=7,11=2,14=-4,16=1,17=8,24=110,25=1,30=1,70=2201,71=2,72=9,74=-5,116=-2,124=31,140=1/1,2,3 4/5=1/1 5/5=2,7=512,8=3,13=1,38=6,53=9/2,8 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1,31=1/1,2,10 10/6=1,13=1,31=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7/10=1,18=20,25=1,30=1/1,2,3,16 1/5=1,8=9,10=4,11=1,14=-1,18=20,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=7,6=1,11=2,14=-2,16=1,17=8,25=1,30=1,70=2205,71=1,72=9,74=-5,82=7,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,7=512,8=3,13=1,38=5,53=9/2,8 7/30=1/1,2,3,16 1/5=1,8=9,11=1,14=-1,18=20,26=3/3(-5) 2/9=110,15=1/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 opt freq Redundant internal coordinates found in file. B A 7 12 B A 7 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 12 12 12 12 1 1 12 12 12 1 1 12 1 12 12 1 1 1 12 1 1 1 31 12 1 1 1 12 1 1 1 12 1 1 1 197 12 1 12 1 12 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 30.9737634 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 196.9666000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 1 1 0 0 0 1 1 0 1 0 0 1 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 3 0 1 0 1 0 1 1 1 -3.6000000 -3.6000000 -3.6000000 -3.6000000 -1.0000000 -1.0000000 -3.6000000 -3.6000000 -3.6000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 -3.6000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -12.9400000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 1 2 2 3 3 4 4 4 7 7 7 8 8 9 9 9 12 12 14 14 15 15 15 19 19 19 23 23 23 23 24 24 24 28 28 28 32 32 32 37 39 41 41 41 2 9 39 3 7 5 37 6 37 39 8 12 14 36 41 10 11 12 13 14 15 19 16 17 18 20 21 22 24 28 32 36 25 26 27 29 30 31 33 34 35 38 40 42 43 44 1.4102 1.5143 1.3947 1.4102 1.4342 1.0857 1.3914 1.086 1.399 1.3974 1.2564 2.4667 2.9055 2.1881 1.4872 1.0977 1.0969 1.5174 1.0875 1.3507 1.5073 1.5075 1.0973 1.099 1.0914 1.0988 1.0977 1.0934 1.8328 1.8337 1.8329 2.3168 1.0947 1.0933 1.0935 1.0949 1.0935 1.0934 1.0934 1.0934 1.0949 1.0855 1.0866 1.0955 1.095 1.0912 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 2 2 9 1 1 3 2 2 5 6 6 37 2 7 7 36 1 1 1 10 10 11 9 9 13 12 12 15 14 14 14 16 16 17 14 14 14 20 20 21 24 24 24 28 28 32 23 23 23 25 25 26 23 23 23 29 29 30 23 23 23 33 33 34 3 3 4 1 1 4 8 8 8 42 42 43 1 1 1 2 2 2 3 3 3 4 4 4 7 8 8 8 9 9 9 9 9 9 12 12 12 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 23 23 23 23 23 23 24 24 24 24 24 24 28 28 28 28 28 28 32 32 32 32 32 32 37 37 37 39 39 39 41 41 41 41 41 41 9 39 39 3 7 7 5 37 37 37 39 39 8 36 41 41 10 11 12 11 12 12 13 14 14 15 19 19 16 17 18 17 18 18 20 21 22 21 22 22 28 32 36 32 36 36 25 26 27 26 27 27 29 30 31 30 31 31 33 34 35 34 35 35 4 38 38 4 40 40 42 43 44 43 44 44 118.1687 118.7998 122.9992 120.4148 118.9693 120.6105 119.4165 119.8659 120.7129 119.9562 119.7005 120.3337 163.4584 94.8251 145.8029 119.3029 109.0186 109.3201 112.2902 106.109 108.8322 111.0618 116.1096 125.5758 118.0572 123.9436 121.402 114.648 110.017 110.3036 113.5697 106.6016 108.2506 107.8295 110.7011 110.4288 112.5051 106.4881 108.2517 108.242 105.495 105.3824 113.0066 105.3637 113.2247 113.5942 109.9517 109.4795 109.479 109.5203 109.5018 108.8898 109.975 109.4115 109.4769 109.4969 109.546 108.9159 109.4722 109.4732 109.9254 108.9086 109.5243 109.5188 119.8 119.823 120.3738 120.7593 119.2694 119.9642 109.8432 109.3364 112.28 108.2939 108.4593 108.5373 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A77 A78 8 8 36 36 23 23 5 5 -1 -2 186.4583 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 175.7395 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 9 9 39 39 2 2 2 39 39 39 2 2 9 9 1 1 7 7 1 3 2 2 5 5 6 6 39 39 6 6 37 37 2 2 7 7 7 41 41 41 7 7 7 36 36 36 1 1 10 10 11 11 9 9 13 13 12 12 12 19 19 19 12 12 12 15 15 15 28 28 28 32 32 32 36 36 36 24 24 24 32 32 32 36 36 36 24 24 24 28 28 28 36 36 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 4 4 4 4 4 4 4 4 7 7 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 12 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 2 2 2 2 9 9 9 9 9 9 39 39 39 39 3 3 3 3 7 7 37 37 37 37 37 37 37 37 39 39 39 39 8 8 23 23 23 23 23 23 41 41 41 41 41 41 12 12 12 12 12 12 14 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 24 24 24 24 24 24 24 24 24 28 28 28 28 28 28 28 28 28 32 32 32 32 32 32 32 32 32 3 7 3 7 10 11 12 10 11 12 4 40 4 40 5 37 5 37 8 8 4 38 4 38 3 38 3 38 1 40 1 40 36 41 24 28 32 24 28 32 42 43 44 42 43 44 13 14 13 14 13 14 15 19 15 19 16 17 18 16 17 18 20 21 22 20 21 22 25 26 27 25 26 27 25 26 27 29 30 31 29 30 31 29 30 31 33 34 35 33 34 35 33 34 35 -176.4509 4.3926 1.5439 -177.6127 -90.5058 153.9095 30.1787 91.5895 -23.9952 -147.7261 -0.1918 -179.2193 177.7004 -1.3271 178.9207 -1.8587 -1.9367 177.284 148.3791 -30.7757 0.7993 -179.8501 -179.9903 -0.6397 179.4163 0.0694 0.5487 -178.7983 -179.7282 -0.7074 -0.8577 178.1631 -19.608 163.9032 158.0949 38.4927 -84.2019 -24.3036 -143.9059 93.3996 -71.5235 47.1807 167.7038 112.4894 -128.8064 -8.2833 -124.8313 61.1368 -4.0394 -178.0713 112.4151 -61.6168 -2.9961 177.9671 -176.923 4.0402 130.176 -112.5004 8.6706 -50.7286 66.5951 -172.234 114.7621 -127.5587 -6.5014 -64.3588 53.3204 174.3778 -55.9025 64.4597 -176.2415 55.2852 175.6473 -65.0538 179.8833 -59.7545 59.5443 56.121 176.426 -64.2857 -55.0799 65.2251 -175.4866 -179.802 -59.497 59.7913 64.7917 -175.8944 -55.5545 176.0726 -64.6134 55.7265 -59.4371 59.8768 -179.7832 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 9.00e-02 1.00e-07 1.00e-06 229 264 Berny optimization. saddle point Step number 47 out of a maximum of 229 All quantities printed in internal units (Hartrees-Bohrs-Radians) -0.01160 0.00038 0.00108 0.00156 0.00200 0.00246 0.00265 0.00320 0.00387 0.00588 0.00974 0.01398 0.01547 0.01652 0.01791 0.01823 0.01982 0.02208 0.02271 0.02393 0.02475 0.02590 0.02664 0.02806 0.03255 0.03436 0.04053 0.04083 0.04095 0.04193 0.04296 0.04614 0.04648 0.04869 0.05375 0.05690 0.05744 0.05770 0.05963 0.06051 0.06139 0.06272 0.06937 0.07258 0.07479 0.07761 0.08638 0.09712 0.10420 0.10901 0.11310 0.11487 0.11493 0.11619 0.11714 0.11918 0.12217 0.12479 0.12502 0.12602 0.12642 0.12698 0.12800 0.12815 0.12953 0.13090 0.14370 0.14531 0.14878 0.14943 0.15124 0.15219 0.15381 0.15902 0.16540 0.18154 0.18819 0.19155 0.19209 0.19736 0.21678 0.21763 0.22129 0.22336 0.23196 0.27525 0.28110 0.30580 0.31639 0.32653 0.32950 0.33019 0.33108 0.33286 0.33396 0.33789 0.33991 0.34106 0.34257 0.34305 0.34360 0.34477 0.34617 0.34640 0.34647 0.34662 0.34824 0.35109 0.35137 0.35182 0.35254 0.35581 0.35811 0.36107 0.36330 0.36472 0.36604 0.38749 0.41716 0.44491 0.46177 0.47136 0.51105 0.56684 0.83711 0.86673 6.093829434e-12 0.00000000e+00 Linear search 1 2 0.00011165 0.00000001 0.00000000 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 2.65680 2.86369 2.63293 2.65813 2.73724 2.05093 2.63355 2.05216 2.64316 2.64181 2.43991 4.11152 4.89382 4.03261 2.83288 2.07245 2.07174 2.87071 2.05378 2.60213 2.83686 2.83908 2.07630 2.07253 2.05883 2.07393 2.07231 2.06360 3.46653 3.46791 3.46708 4.40300 2.06907 2.06639 2.06665 2.06898 2.06662 2.06668 2.06624 2.06648 2.06894 2.05202 2.05345 2.07252 2.06643 2.06502 2.02276 2.09102 2.16899 2.09425 2.04285 2.14599 2.09025 2.08879 2.10414 2.09483 2.09117 2.09696 2.58918 1.92699 2.33499 2.02085 1.91792 1.92396 1.92512 1.85995 1.90111 1.93459 2.03824 2.16537 2.04794 2.15625 2.12660 1.99979 1.89157 1.92698 1.99093 1.85942 1.88927 1.90074 1.92811 1.91042 1.97096 1.85843 1.89558 1.89669 1.83453 1.83129 1.98639 1.83256 1.97633 1.98692 1.92220 1.91095 1.90993 1.91101 1.91057 1.89901 1.92479 1.90860 1.90995 1.91049 1.91053 1.89926 1.91050 1.91022 1.92185 1.89927 1.91012 1.91170 2.09798 2.08712 2.09797 2.09665 2.08805 2.09838 1.92209 1.94501 1.94008 1.89151 1.87243 1.89048 3.19528 3.12356 -3.07695 0.07873 0.03514 -3.09237 -1.73723 2.50107 0.35900 1.43533 -0.60955 -2.75162 -0.00658 -3.13248 3.10290 -0.02300 3.10604 -0.04062 -0.05050 3.08602 2.53832 -0.58873 0.01761 -3.14011 -3.12910 -0.00363 3.12971 0.00435 0.01093 -3.11443 -3.13533 -0.00953 -0.01650 3.10930 -0.00787 -3.11844 2.63918 0.54298 -1.56513 -0.53047 -2.62667 1.54841 -1.71743 0.38234 2.49303 1.45646 -2.72696 -0.61627 -2.23904 1.17797 -0.13271 -2.99889 1.90831 -0.95787 -0.11799 2.98617 -2.98276 0.12140 1.95655 -2.29619 -0.14921 -1.15008 0.88037 3.02735 1.92104 -2.32116 -0.20571 -1.25486 0.78613 2.90158 -0.96645 1.13576 -3.06748 0.96126 3.06347 -1.13976 -3.13867 -1.03646 1.04349 0.96769 3.06939 -1.13493 -0.95912 1.14259 -3.06173 -3.13694 -1.03524 1.04363 1.14910 -3.05390 -0.95151 3.07823 -1.12478 0.97761 -1.03382 1.04636 -3.13444 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00009 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00002 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00000 0.00001 0.00002 0.00002 0.00001 0.00002 0.00002 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00008 -0.00007 -0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00002 0.00003 0.00002 0.00004 0.00002 0.00002 0.00003 0.00011 0.00010 0.00010 0.00011 0.00010 0.00010 -0.00007 -0.00006 -0.00008 -0.00006 -0.00008 -0.00006 -0.00002 -0.00001 -0.00001 0.00001 0.00020 0.00020 0.00019 0.00019 0.00018 0.00018 0.00006 0.00006 0.00005 0.00007 0.00007 0.00007 0.00005 0.00006 0.00006 0.00005 0.00005 0.00005 0.00006 0.00006 0.00006 0.00005 0.00005 0.00005 0.00005 0.00005 0.00005 0.00006 0.00006 0.00006 0.00009 0.00010 0.00009 0.00010 0.00010 0.00009 0.00009 0.00009 0.00008 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00009 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00002 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00000 0.00001 0.00002 0.00002 0.00001 0.00002 0.00002 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00008 -0.00007 -0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00002 0.00003 0.00002 0.00004 0.00002 0.00002 0.00003 0.00011 0.00010 0.00010 0.00011 0.00010 0.00010 -0.00007 -0.00006 -0.00008 -0.00006 -0.00008 -0.00006 -0.00002 -0.00001 -0.00001 0.00001 0.00020 0.00020 0.00019 0.00019 0.00018 0.00018 0.00006 0.00006 0.00005 0.00007 0.00007 0.00007 0.00005 0.00006 0.00006 0.00005 0.00005 0.00005 0.00006 0.00006 0.00006 0.00005 0.00005 0.00005 0.00005 0.00005 0.00005 0.00006 0.00006 0.00006 0.00009 0.00010 0.00009 0.00010 0.00010 0.00009 0.00009 0.00009 0.00008 2.65680 2.86369 2.63293 2.65813 2.73725 2.05093 2.63355 2.05216 2.64315 2.64181 2.43991 4.11149 4.89373 4.03261 2.83288 2.07245 2.07174 2.87072 2.05378 2.60213 2.83686 2.83908 2.07630 2.07253 2.05883 2.07393 2.07231 2.06360 3.46653 3.46791 3.46708 4.40300 2.06907 2.06639 2.06665 2.06898 2.06662 2.06668 2.06624 2.06648 2.06894 2.05202 2.05345 2.07252 2.06643 2.06502 2.02275 2.09103 2.16900 2.09425 2.04285 2.14599 2.09025 2.08879 2.10414 2.09483 2.09117 2.09696 2.58918 1.92698 2.33497 2.02087 1.91792 1.92397 1.92512 1.85995 1.90110 1.93459 2.03823 2.16537 2.04794 2.15626 2.12659 1.99980 1.89158 1.92698 1.99093 1.85941 1.88928 1.90074 1.92811 1.91042 1.97096 1.85842 1.89558 1.89669 1.83453 1.83129 1.98640 1.83255 1.97632 1.98692 1.92220 1.91095 1.90993 1.91101 1.91057 1.89901 1.92479 1.90860 1.90995 1.91049 1.91053 1.89926 1.91051 1.91022 1.92185 1.89927 1.91012 1.91170 2.09798 2.08712 2.09796 2.09665 2.08805 2.09838 1.92209 1.94501 1.94008 1.89151 1.87243 1.89048 3.19527 3.12357 -3.07696 0.07873 0.03514 -3.09236 -1.73721 2.50109 0.35901 1.43536 -0.60953 -2.75161 -0.00658 -3.13248 3.10290 -0.02300 3.10605 -0.04061 -0.05050 3.08602 2.53824 -0.58880 0.01760 -3.14012 -3.12910 -0.00364 3.12971 0.00435 0.01093 -3.11443 -3.13532 -0.00952 -0.01650 3.10930 -0.00789 -3.11846 2.63921 0.54300 -1.56509 -0.53044 -2.62666 1.54844 -1.71732 0.38245 2.49313 1.45657 -2.72685 -0.61617 -2.23911 1.17791 -0.13279 -2.99895 1.90823 -0.95793 -0.11801 2.98617 -2.98277 0.12141 1.95675 -2.29599 -0.14902 -1.14989 0.88055 3.02753 1.92110 -2.32110 -0.20565 -1.25478 0.78620 2.90165 -0.96640 1.13582 -3.06742 0.96131 3.06352 -1.13972 -3.13861 -1.03640 1.04355 0.96774 3.06944 -1.13488 -0.95906 1.14264 -3.06168 -3.13688 -1.03518 1.04369 1.14920 -3.05381 -0.95142 3.07833 -1.12468 0.97771 -1.03374 1.04644 -3.13436 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000002 0.000000 0.000407 0.000112 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.309419e-10 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 1 2 2 3 3 4 4 4 7 7 7 8 8 9 9 9 12 12 14 14 15 15 15 19 19 19 23 23 23 23 24 24 24 28 28 28 32 32 32 37 39 41 41 41 2 9 39 3 7 5 37 6 37 39 8 12 14 36 41 10 11 12 13 14 15 19 16 17 18 20 21 22 24 28 32 36 25 26 27 29 30 31 33 34 35 38 40 42 43 44 1.4059 1.5154 1.3933 1.4066 1.4485 1.0853 1.3936 1.086 1.3987 1.398 1.2911 2.1757 2.5897 2.134 1.4991 1.0967 1.0963 1.5191 1.0868 1.377 1.5012 1.5024 1.0987 1.0967 1.0895 1.0975 1.0966 1.092 1.8344 1.8351 1.8347 2.33 1.0949 1.0935 1.0936 1.0949 1.0936 1.0936 1.0934 1.0935 1.0948 1.0859 1.0866 1.0967 1.0935 1.0928 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 2 2 9 1 1 3 2 2 5 6 6 37 2 7 7 36 1 1 1 10 10 11 9 9 13 12 12 15 14 14 14 16 16 17 14 14 14 20 20 21 24 24 24 28 28 32 23 23 23 25 25 26 23 23 23 29 29 30 23 23 23 33 33 34 3 3 4 1 1 4 8 8 8 42 42 43 1 1 1 2 2 2 3 3 3 4 4 4 7 8 8 8 9 9 9 9 9 9 12 12 12 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 23 23 23 23 23 23 24 24 24 24 24 24 28 28 28 28 28 28 32 32 32 32 32 32 37 37 37 39 39 39 41 41 41 41 41 41 9 39 39 3 7 7 5 37 37 37 39 39 8 36 41 41 10 11 12 11 12 12 13 14 14 15 19 19 16 17 18 17 18 18 20 21 22 21 22 22 28 32 36 32 36 36 25 26 27 26 27 27 29 30 31 30 31 31 33 34 35 34 35 35 4 38 38 4 40 40 42 43 44 43 44 44 115.8956 119.8069 124.2739 119.9915 117.0469 122.9564 119.7626 119.6787 120.5581 120.025 119.8154 120.1467 148.3492 110.4084 133.7848 115.786 109.8888 110.2348 110.3014 106.567 108.9255 110.8437 116.7824 124.0664 117.3384 123.5442 121.8449 114.5796 108.3793 110.4079 114.0721 106.5368 108.2473 108.9046 110.4724 109.4589 112.9279 106.48 108.6088 108.6723 105.1106 104.9253 113.812 104.998 113.2351 113.8419 110.1341 109.4892 109.4307 109.4925 109.4675 108.8051 110.2826 109.3547 109.4322 109.4628 109.4653 108.8198 109.4636 109.4475 110.1141 108.8203 109.4417 109.5324 120.2057 119.5833 120.2046 120.1291 119.6364 120.2283 110.1278 111.4411 111.1583 108.3757 107.2823 108.3166 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A77 8 36 23 5 -1 183.0761 -DE/DX|=|0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 9 9 39 39 2 2 2 39 39 39 2 2 9 9 1 1 7 7 1 3 2 2 5 5 6 6 39 39 6 6 37 37 2 2 7 7 7 41 41 41 7 7 7 36 36 36 1 1 10 10 11 11 9 9 13 13 12 12 12 19 19 19 12 12 12 15 15 15 28 28 28 32 32 32 36 36 36 24 24 24 32 32 32 36 36 36 24 24 24 28 28 28 36 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 4 4 4 4 4 4 4 4 7 7 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 12 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 2 2 2 2 9 9 9 9 9 9 39 39 39 39 3 3 3 3 7 7 37 37 37 37 37 37 37 37 39 39 39 39 8 8 23 23 23 23 23 23 41 41 41 41 41 41 12 12 12 12 12 12 14 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 24 24 24 24 24 24 24 24 24 28 28 28 28 28 28 28 28 28 32 32 32 32 32 32 32 32 3 7 3 7 10 11 12 10 11 12 4 40 4 40 5 37 5 37 8 8 4 38 4 38 3 38 3 38 1 40 1 40 36 41 24 28 32 24 28 32 42 43 44 42 43 44 13 14 13 14 13 14 15 19 15 19 16 17 18 16 17 18 20 21 22 20 21 22 25 26 27 25 26 27 25 26 27 29 30 31 29 30 31 29 30 31 33 34 35 33 34 35 33 34 -176.2965 4.5107 2.0133 -177.1795 -99.5362 143.3008 20.569 82.2386 -34.9244 -157.6562 -0.3771 -179.4776 177.7829 -1.3176 177.9633 -2.3272 -2.8935 176.816 145.4351 -33.7317 1.0088 -179.9153 -179.284 -0.2081 179.3193 0.2492 0.6264 -178.4437 -179.6409 -0.5458 -0.9453 178.1498 -0.451 -178.6735 151.2138 31.1102 -89.6751 -30.3936 -150.4972 88.7174 -98.4013 21.9067 142.84 83.4489 -156.2432 -35.3099 -128.2875 67.4926 -7.6037 -171.8236 109.338 -54.8819 -6.7601 171.0951 -170.8996 6.9557 112.102 -131.562 -8.549 -65.8946 50.4413 173.4544 110.0677 -132.9926 -11.7861 -71.8979 45.0418 166.2483 -55.3736 65.0743 -175.7535 55.0763 175.5241 -65.3037 -179.8324 -59.3846 59.7876 55.4443 175.863 -65.0267 -54.9533 65.4654 -175.4244 -179.7334 -59.3147 59.7956 65.8387 -174.9758 -54.5177 176.3696 -64.4449 56.0132 -59.2338 59.9517 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 (5D, 7F) 1 2 3 4 7 8 9 12 14 15 19 24 28 32 37 39 41 5 6 10 11 13 16 17 18 20 21 22 25 26 27 29 30 31 33 34 35 38 40 42 43 44 23 6-31G* 36 SDD 1 6 No pseudopotential on this center. 2 6 No pseudopotential on this center. 3 6 No pseudopotential on this center. 4 6 No pseudopotential on this center. 5 1 No pseudopotential on this center. 6 1 No pseudopotential on this center. 7 6 No pseudopotential on this center. 8 6 No pseudopotential on this center. 9 6 No pseudopotential on this center. 10 1 No pseudopotential on this center. 11 1 No pseudopotential on this center. 12 6 No pseudopotential on this center. 13 1 No pseudopotential on this center. 14 6 No pseudopotential on this center. 15 6 No pseudopotential on this center. 16 1 No pseudopotential on this center. 17 1 No pseudopotential on this center. 18 1 No pseudopotential on this center. 19 6 No pseudopotential on this center. 20 1 No pseudopotential on this center. 21 1 No pseudopotential on this center. 22 1 No pseudopotential on this center. 23 15 No pseudopotential on this center. 24 6 No pseudopotential on this center. 25 1 No pseudopotential on this center. 26 1 No pseudopotential on this center. 27 1 No pseudopotential on this center. 28 6 No pseudopotential on this center. 29 1 No pseudopotential on this center. 30 1 No pseudopotential on this center. 31 1 No pseudopotential on this center. 32 6 No pseudopotential on this center. 33 1 No pseudopotential on this center. 34 1 No pseudopotential on this center. 35 1 No pseudopotential on this center. 36 79 19 G and up 2 1.0000000 0.00000000 0.00000000 S - G 2 2 13.2051000 6.6025500 426.84667900 37.00708300 0.00000000 0.00000000 P - G 2 2 10.4520200 5.2260100 261.19958000 26.96249600 0.00000000 0.00000000 D - G 2 2 7.8511000 3.9255500 124.79066600 16.30072600 0.00000000 0.00000000 F - G 2 2 4.7898200 2.3949100 30.49008900 5.17107400 0.00000000 0.00000000 37 6 No pseudopotential on this center. 38 1 No pseudopotential on this center. 39 6 No pseudopotential on this center. 40 1 No pseudopotential on this center. 41 6 No pseudopotential on this center. 42 1 No pseudopotential on this center. 43 1 No pseudopotential on this center. 44 1 No pseudopotential on this center. 0.10000e-02 0.10000e-05 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 44 44 44 1.00e+00 60 F Grimme-D3 -0.0487069039 PCM (using non-symmetric T matrix) UFF Total charges None Matrix inversion Dichloromethane 8.930000 2.028346 0.000000 1.410228 0.000000 2.447639 1.410186 0.000000 2.427233 2.788976 2.414117 0.000000 3.425620 2.161316 1.085690 3.403981 0.000000 3.406386 3.874967 3.398046 1.086008 4.302994 0.000000 2.450506 1.434224 2.470902 4.222579 2.689517 5.308514 0.000000 3.665404 2.662760 3.481711 5.436689 3.373249 6.520692 1.256398 0.000000 1.514250 2.509551 3.815925 3.835519 4.669455 4.707737 2.822593 3.773374 0.000000 2.140398 3.014177 4.302632 4.324999 5.114820 5.160312 3.165844 3.938195 1.097723 0.000000 2.143675 3.375651 4.551484 4.053050 5.486270 4.748619 3.850452 4.819384 1.096944 1.753995 0.000000 2.517613 2.844614 4.210912 4.879928 4.814048 5.840302 2.466682 3.072440 1.517370 2.140735 2.168418 0.000000 3.329587 3.502775 4.887880 5.745698 5.373935 6.727806 2.760346 2.955647 2.222046 2.352212 2.911495 1.087500 0.000000 3.156570 3.266246 4.419824 5.204586 4.912063 6.136119 2.905550 3.444642 2.551729 3.410268 2.908838 1.350652 2.094913 0.000000 3.199987 3.423207 4.248300 4.652629 4.822016 5.448223 3.595379 4.397617 3.075813 4.140221 3.120957 2.523859 3.491697 1.507326 0.000000 4.202978 4.518967 5.306734 5.544833 5.856866 6.238811 4.637431 5.338701 3.904413 4.945560 3.724307 3.280758 4.143517 2.146725 1.097303 0.000000 3.498155 3.326253 3.848760 4.597482 4.241001 5.407536 3.500464 4.253191 3.757201 4.798797 3.985292 3.191584 4.104043 2.151581 1.098950 1.760921 0.000000 2.610349 3.186698 3.955680 3.828755 4.725364 4.536880 3.755049 4.771733 2.668018 3.763217 2.508563 2.705342 3.779911 2.186088 1.091449 1.773550 1.770157 0.000000 4.572170 4.413287 5.473552 6.590597 5.731153 7.545433 3.666776 3.722606 3.932692 4.628134 4.315674 2.493674 2.668869 1.507455 2.537653 2.731301 2.855616 3.494499 0.000000 4.887751 4.428998 5.277073 6.690765 5.342816 7.664179 3.609463 3.526938 4.553659 5.278556 5.054466 3.183698 3.397688 2.156545 2.843869 3.114835 2.724679 3.868596 1.098756 0.000000 5.301863 5.300989 6.324160 7.223295 6.627896 8.105930 4.699572 4.817962 4.586698 5.338221 4.738116 3.250139 3.479760 2.152310 2.756414 2.492537 3.173999 3.741253 1.097677 1.759765 0.000000 4.981052 4.808024 5.969569 7.182568 6.189176 8.175785 3.832960 3.616687 4.151165 4.613070 4.625886 2.636439 2.345481 2.174827 3.489679 3.729401 3.865453 4.335413 1.093442 1.776354 1.775370 0.000000 6.320865 5.242068 4.987314 6.815117 4.427884 7.622390 4.847598 4.494868 7.028836 6.767409 8.077696 7.095036 6.973940 7.729685 8.361388 9.422861 8.027479 8.380851 8.206851 7.889110 9.296375 8.072459 0.000000 7.871778 6.689835 6.442339 8.474568 5.706884 9.308152 6.051949 5.396169 8.480464 8.251562 9.561648 8.300023 8.063467 8.806046 9.518678 10.526642 9.098278 9.699346 9.011159 8.558808 10.089773 8.788556 1.832822 0.000000 8.716898 7.570018 7.230145 9.144714 6.500512 9.908234 7.035046 6.443822 9.378724 9.103755 10.447286 9.290625 9.062688 9.835429 10.514104 11.538175 10.086929 10.642984 10.086409 9.640276 11.167655 9.866969 2.434551 1.094748 0.000000 7.965772 6.682004 6.329696 8.504462 5.466191 9.348264 6.026126 5.348279 8.639549 8.545499 9.715471 8.351998 8.185854 8.694289 9.320052 10.295061 8.791518 9.571685 8.810186 8.238866 9.859738 8.664592 2.427164 1.093346 1.787113 0.000000 8.075744 6.944389 6.908096 8.962318 6.238404 9.853926 6.122012 5.300593 8.496536 8.202405 9.590087 8.199189 7.825533 8.744392 9.607154 10.581924 9.261785 9.856129 8.831542 8.425732 9.905777 8.483189 2.427245 1.093472 1.787012 1.779100 0.000000 6.651769 5.573533 4.866842 6.474895 4.235549 7.101855 5.593940 5.557014 7.673245 7.541897 8.638130 7.940208 8.044357 8.467811 8.803436 9.879082 8.346763 8.693366 9.101827 8.716058 10.151585 9.162171 1.833680 2.918447 3.067961 3.136218 3.878433 0.000000 7.673175 6.640315 5.923227 7.400791 5.305574 7.951508 6.659299 6.574754 8.681304 8.487936 9.639031 8.981700 9.045866 9.544575 9.894679 10.971953 9.439561 9.768198 10.165019 9.775989 11.221949 10.189872 2.435723 3.070466 2.817075 3.398320 4.069859 1.094860 0.000000 6.031200 5.092617 4.327389 5.629930 3.886892 6.181824 5.363782 5.560800 7.137920 7.001488 8.037322 7.594535 7.790325 8.179761 8.422197 9.509348 8.025538 8.185859 8.977832 8.680177 10.004306 9.099686 2.427103 3.877834 4.068156 4.147642 4.743704 1.093468 1.787045 0.000000 6.746620 5.549112 4.692292 6.483713 3.880878 7.120622 5.561476 5.514781 7.839360 7.854619 8.797044 7.991716 8.169002 8.348962 8.579932 9.624680 8.002073 8.537878 8.906442 8.406525 9.926142 9.050712 2.427910 3.134782 3.392972 2.959092 4.147598 1.093352 1.787492 1.779392 0.000000 6.876389 6.087253 6.028264 7.425796 5.731142 8.151926 5.774149 5.494104 7.418829 6.900799 8.417129 7.687871 7.446837 8.565313 9.308257 10.377030 9.154672 9.211638 9.149518 9.017578 10.238793 8.893576 1.832875 2.915623 3.059512 3.875555 3.138622 2.915943 3.058474 3.139506 3.875748 0.000000 7.094252 6.358529 6.519495 7.962534 6.263426 8.752584 5.845783 5.404908 7.420850 6.819215 8.431664 7.571097 7.180305 8.501057 9.398470 10.433969 9.321432 9.371452 8.978406 8.902400 10.063497 8.597040 2.427130 3.136090 3.388247 4.150137 2.965899 3.876231 4.059378 4.151367 4.742167 1.093369 0.000000 6.288880 5.666002 5.626216 6.722717 5.506460 7.385985 5.562395 5.504955 6.866538 6.300655 7.802578 7.334157 7.169407 8.290816 8.965118 10.042287 8.883895 8.750728 9.035799 8.996523 10.103157 8.833521 2.427165 3.875695 4.059135 4.741701 4.151399 3.134600 3.383823 2.964925 4.149481 1.093401 1.779270 0.000000 7.865187 7.063304 6.876523 8.219804 6.518974 8.872997 6.806533 6.523022 8.469638 7.950560 9.453250 8.769895 8.541155 9.628702 10.330606 11.406374 10.134698 10.217036 10.205472 10.034006 11.297263 9.957535 2.434350 3.061458 2.801440 4.059386 3.394873 3.063006 2.801644 3.398623 4.059846 1.094898 1.787298 1.787263 0.000000 4.500764 3.342038 3.508293 5.577418 3.090608 6.565958 2.613190 2.188092 5.046777 4.946312 6.129752 4.880826 4.786837 5.444066 6.168313 7.204411 5.896581 6.300262 5.893718 5.621286 6.983471 5.790463 2.316795 3.470733 4.436123 3.608843 3.606939 3.475691 4.440241 3.611632 3.615310 3.482279 3.620503 3.624528 4.444747 0.000000 2.817305 2.424645 1.391425 1.398970 2.158213 2.157269 3.739409 4.830990 4.329871 4.825032 4.818363 5.057539 5.850803 5.268302 4.800867 5.776707 4.460815 4.234626 6.477153 6.359987 7.215107 7.061662 5.857365 7.415248 8.085619 7.339851 7.981719 5.393414 6.355112 4.645517 5.256774 6.730677 7.341232 6.173996 7.485682 4.716588 0.000000 3.902774 3.408985 2.148666 2.161302 2.485820 2.490143 4.616135 5.605183 5.415044 5.894642 5.882979 6.100395 6.884040 6.229090 5.669908 6.600060 5.197316 5.136770 7.365144 7.142022 8.089590 7.982616 6.040719 7.527794 8.104579 7.384585 8.216025 5.253441 6.134885 4.497021 5.007187 6.995175 7.724536 6.477256 7.629371 5.226883 1.085525 0.000000 1.394695 2.414325 2.796238 1.397413 3.881828 2.153140 3.720636 4.960779 2.557058 3.072081 2.679530 3.772976 4.636990 4.266433 3.901852 4.782336 4.154223 3.015225 5.736926 6.038070 6.340349 6.251791 7.018789 8.676680 9.428959 8.778539 9.004176 7.033077 7.998609 6.250209 7.135201 7.495175 7.853948 6.779855 8.397508 5.487419 2.425800 3.410567 0.000000 2.146571 3.399405 3.882609 2.156446 4.968169 2.478234 4.593841 5.808452 2.769566 3.196538 2.478824 4.135404 4.983744 4.673567 4.268914 4.986723 4.720561 3.264036 6.180444 6.627488 6.661418 6.678916 7.947795 9.636139 10.374042 9.789465 9.924762 7.992355 8.924206 7.166382 8.153846 8.270412 8.583363 7.485693 9.170281 6.432480 3.408961 4.306622 1.086603 0.000000 4.910928 4.053529 4.906346 6.842068 4.715017 7.927958 2.623192 1.487182 4.683183 4.813172 5.648407 3.600581 3.155482 3.778408 4.957750 5.706955 4.859041 5.566792 3.465054 3.210480 4.508523 3.036945 5.305159 5.798365 6.882532 5.694862 5.462165 6.589905 7.539186 6.762569 6.511430 6.271555 5.973133 6.455697 7.271131 3.191354 6.264294 7.023489 6.265767 7.031145 0.000000 5.342856 4.420914 5.138816 7.148901 4.849800 8.222191 3.082021 2.125507 5.194922 5.516724 6.081537 3.980279 3.709789 3.772928 4.792845 5.434523 4.535962 5.554924 3.162388 2.603230 4.119293 2.906619 5.925602 6.273677 7.368344 5.984910 5.998411 7.059600 8.026117 7.277826 6.816878 7.091032 6.865190 7.317030 8.049692 3.845960 6.495042 7.188791 6.653419 7.445316 1.095466 0.000000 4.926929 4.358541 5.433180 7.096176 5.431808 8.170694 2.986698 2.118777 4.363357 4.423618 5.241338 3.152312 2.460718 3.446934 4.823730 5.472976 4.957161 5.440704 3.051851 3.124609 4.035450 2.353453 6.087266 6.665466 7.729240 6.663481 6.248325 7.432188 8.377035 7.521011 7.442533 6.828896 6.428249 6.923628 7.866234 3.963576 6.720635 7.581157 6.320066 6.948111 1.095021 1.775437 0.000000 5.735570 4.812719 5.545859 7.578242 5.229625 8.659722 3.399375 2.152459 5.548142 5.525768 6.553149 4.571681 4.013226 4.855908 6.039952 6.797938 5.909290 6.617055 4.503316 4.216543 5.514950 3.968791 4.903000 5.128034 6.198183 5.074236 4.644624 6.367521 7.223251 6.685555 6.341616 5.817378 5.410514 6.162533 6.759108 3.111098 6.917748 7.609354 7.068491 7.857755 1.091238 1.774219 1.774727 0.000000 0.4374539 0.1561537 0.1271803 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 432.12221099999994 AuxInfo=1/0/N:41,15,19,8,37,4,7,3,39,12,9,14,2,1;24,28,32,23;36/E:(2,3);(1,2,3);/CRV:4.2,5.3,6.3,7.2,8.3,9.3,10.3,12.3,13.3,14.3;;/rA:44nC3C3C3C3HHC2C3CHHC3HC3CHHHCHHHP4CHHHCHHHCHHHAuC3HC3HCHHH/rB:s1;s2;;s3;s4;s2;s7;s1;s9;s9;s9;s12;s12;s14;s15;s15;s15;s14;s19;s19;s19;;s23;s24;s24;s24;s23;s28;s28;s28;s23;s32;s32;s32;s8s23;s3s4;s37;s1s4;s39;s8;s41;s41;s41;/rC:3.0425,-1.4479,-.8578;1.9407,-.9772,-.1222;1.1831,-1.8694,.658;2.5806,-3.6966,-.0957;.3537,-1.4965,1.2503;2.8324,-4.753,-.0842;1.6322,.4341,-.2285;.7373,1.3643,-.2592;3.8443,-.3948,-1.5956;3.5514,-.3751,-2.6522;4.9115,-.6449,-1.5717;3.5968,.9763,-.9901;3.3107,1.7699,-1.6754;4.0035,1.3469,.2722;4.6129,.395,1.2602;5.666,.673,1.4049;4.1264,.4953,2.238;4.5749,-.6495,.9526;3.9095,2.7682,.7499;3.1332,2.8639,1.5197;4.8551,3.0575,1.224;3.6915,3.4738,-.0545;-3.3994,-.2762,.0682;-4.5655,.9046,.8497;-5.5688,.4685,.8962;-4.2229,1.1403,1.8611;-4.596,1.8275,.2638;-3.5372,-1.8131,1.0617;-4.5789,-2.1477,1.1006;-2.9203,-2.5941,.6085;-3.1771,-1.6236,2.0768;-4.1579,-.6879,-1.5508;-4.1727,.2038,-2.1835;-3.5635,-1.4613,-2.0452;-5.1812,-1.0491,-1.4062;-1.2165,.5231,-.0904;1.5008,-3.2263,.6588;.9141,-3.9139,1.2606;3.3551,-2.8056,-.8444;4.2124,-3.1652,-1.407;.7945,2.8538,-.4182;.7334,3.3407,.5626;1.7231,3.1688,-.9022;-.0449,3.2193,-1.0149;/R:/0/N:15,19,41,24,28,32,4,37,39,3,12,9,7,14,8,1,2,36,23/E:(1,2)(4,5,6)/CRV:7.3,8.3,9.3,10.3,11.3,13.2,14.3,15.3,16.3,17.3,18.2,19.4 0.000000 1.405916 0.000000 2.435624 1.406621 0.000000 2.418885 2.793890 2.420718 0.000000 3.417018 2.161507 1.085305 3.407565 0.000000 3.400882 3.879845 3.403807 1.085958 4.304565 0.000000 2.434491 1.448487 2.508678 4.240308 2.747508 5.326051 0.000000 3.685159 2.636141 3.390664 5.388660 3.257326 6.468438 1.291144 0.000000 1.515400 2.476687 3.786160 3.840464 4.636566 4.722519 2.729376 3.812311 0.000000 2.151727 3.059052 4.335759 4.302428 5.168434 5.126118 3.195731 4.083018 1.096691 0.000000 2.155821 3.322195 4.513433 4.113945 5.427916 4.838519 3.704303 4.814859 1.096315 1.757922 0.000000 2.490301 2.704116 4.079224 4.865109 4.653225 5.850609 2.175724 2.976832 1.519116 2.142695 2.166750 0.000000 3.330832 3.440285 4.818217 5.736841 5.288958 6.731117 2.587500 2.965189 2.230868 2.369231 2.899014 1.086814 0.000000 3.164023 3.132399 4.295035 5.253278 4.728903 6.221454 2.589696 3.309126 2.558763 3.423749 2.862080 1.376988 2.109931 0.000000 3.216867 3.306766 4.153691 4.765506 4.660321 5.610633 3.331941 4.274102 3.061046 4.126405 3.031525 2.536577 3.493345 1.501202 0.000000 4.062071 4.351204 5.207419 5.555608 5.740290 6.299818 4.358413 5.247706 3.668961 4.693651 3.341558 3.179508 4.029660 2.121546 1.098730 0.000000 3.812441 3.537831 4.092784 5.040632 4.379048 5.883164 3.508255 4.298457 3.945664 5.000286 4.053411 3.306436 4.195738 2.145845 1.096734 1.759546 0.000000 2.502643 2.863906 3.616521 3.789647 4.315676 4.577136 3.350876 4.500085 2.663035 3.757341 2.546580 2.715477 3.789117 2.185137 1.089488 1.773085 1.778785 0.000000 4.594742 4.320268 5.380385 6.653942 5.575131 7.643529 3.404581 3.612764 3.938256 4.645791 4.247677 2.517195 2.690200 1.502376 2.527255 2.811358 2.725302 3.487696 0.000000 4.924633 4.344168 5.191241 6.779027 5.177967 7.789685 3.348560 3.339705 4.563952 5.298246 5.003044 3.174457 3.381868 2.148243 2.889978 3.350792 2.666874 3.839743 1.097474 0.000000 5.283724 5.156037 6.170703 7.247963 6.403308 8.173480 4.402115 4.692852 4.570534 5.339278 4.639679 3.288896 3.528374 2.134805 2.673709 2.525049 2.850237 3.727399 1.096618 1.757795 0.000000 5.028885 4.783431 5.945501 7.256114 6.127606 8.271561 3.675675 3.635793 4.167056 4.645698 4.555669 2.668692 2.382380 2.174369 3.472224 3.724608 3.783632 4.335424 1.092008 1.778143 1.778154 0.000000 6.612661 5.389176 4.887224 6.891002 4.119666 7.674526 5.090136 4.462152 7.433256 7.464794 8.479079 7.185794 7.228547 7.581414 8.128164 9.212356 7.870175 8.031838 7.946892 7.392007 8.976956 8.022349 0.000000 8.144389 6.842211 6.385798 8.551732 5.488547 9.359940 6.308395 5.437025 8.854005 8.932254 9.903390 8.367442 8.316248 8.599796 9.201669 10.249129 8.811550 9.272169 8.678096 7.972337 9.670735 8.694629 1.834410 0.000000 8.994577 7.714827 7.149163 9.205692 6.249966 9.940019 7.288371 6.473346 9.775515 9.822421 10.824290 9.371458 9.335513 9.632672 10.188394 11.248082 9.787569 10.205262 9.754377 9.047149 10.745565 9.782011 2.438565 1.094903 0.000000 8.177821 6.812255 6.303256 8.573978 5.317065 9.396375 6.256802 5.399051 8.909852 9.116245 9.920059 8.324939 8.346160 8.380959 8.887494 9.910411 8.382636 9.023895 8.367873 7.563057 9.300099 8.470664 2.428832 1.093486 1.787047 0.000000 8.386423 7.123401 6.871707 9.063597 6.043303 9.929937 6.401143 5.378892 8.923833 8.929396 9.993666 8.331824 8.141248 8.612891 9.372733 10.389548 9.041676 9.524469 8.571201 7.898895 9.579070 8.455429 2.428136 1.093626 1.786885 1.778398 0.000000 6.863652 5.666328 4.737899 6.504997 3.908294 7.108261 5.782499 5.487444 7.972434 8.130719 8.926311 7.930004 8.198960 8.214021 8.446217 9.539203 8.089663 8.195882 8.748649 8.159537 9.704607 9.025009 1.835137 2.913401 3.059453 3.135562 3.874424 0.000000 7.900051 6.735765 5.785747 7.422234 4.977673 7.944725 6.856435 6.515048 9.016298 9.128388 9.973317 8.998539 9.235799 9.303541 9.538348 10.630465 9.168511 9.276847 9.815442 9.206997 10.775446 10.066546 2.441193 3.062578 2.804646 3.393537 4.062304 1.094855 0.000000 6.246462 5.174673 4.167216 5.654316 3.512185 6.183313 5.531375 5.458959 7.446833 7.578835 8.359959 7.601083 7.942675 7.973882 8.130671 9.221261 7.864794 7.751009 8.684502 8.201510 9.632029 8.998602 2.427745 3.873738 4.059188 4.148708 4.741025 1.093606 1.786779 0.000000 6.879390 5.607614 4.591875 6.493740 3.628473 7.111733 5.716503 5.450469 8.018571 8.318366 8.927179 7.877322 8.227199 7.977550 8.088609 9.161112 7.606366 7.893488 8.442110 7.763264 9.335772 8.814982 2.428824 3.134497 3.389805 2.963041 4.148530 1.093641 1.786835 1.778673 0.000000 7.273428 6.270287 5.899234 7.521784 5.371631 8.218215 6.044232 5.462844 8.007685 7.793781 9.069448 7.951053 7.863576 8.606445 9.273633 10.348700 9.186057 9.084605 9.073073 8.671978 10.146974 9.009501 1.834702 2.909446 3.052209 3.871383 3.132361 2.911440 3.055870 3.135008 3.872633 0.000000 7.519562 6.558664 6.407526 8.073366 5.930413 8.834411 6.129594 5.399773 8.060780 7.759869 9.144179 7.898479 7.662366 8.613125 9.438272 10.483070 9.407879 9.331831 8.972325 8.611942 10.062553 8.778979 2.428693 3.137784 3.391685 4.151829 2.967210 3.873305 4.059491 4.146341 4.741359 1.093407 0.000000 6.711908 5.850513 5.477650 6.822618 5.119223 7.455738 5.821460 5.447157 7.497761 7.222899 8.527402 7.637171 7.604805 8.397381 9.012518 10.081774 9.017155 8.710943 9.030412 8.732858 10.098569 8.997455 2.428563 3.870672 4.049336 4.739433 4.148902 3.126837 3.376100 2.956244 4.143268 1.093534 1.778430 0.000000 8.251595 7.237045 6.740815 8.304993 6.155684 8.926561 7.071786 6.493799 9.051217 8.846735 10.102122 9.018295 8.951658 9.639303 10.252772 11.337065 10.114181 10.045190 10.092689 9.643781 11.158405 10.050325 2.438510 3.047192 2.784716 4.048101 3.377282 3.062170 2.802427 3.399721 4.059301 1.094834 1.786367 1.787469 0.000000 4.755270 3.495635 3.470162 5.676629 2.888189 6.650547 2.853494 2.133964 5.359144 5.486597 6.411761 4.917672 4.956093 5.297027 5.985174 7.044632 5.828257 6.000285 5.658908 5.195404 6.709377 5.726865 2.329965 3.499289 4.462982 3.636956 3.639746 3.488569 4.456113 3.620489 3.626118 3.500105 3.636163 3.642471 4.463393 0.000000 2.799869 2.421150 1.393616 1.398697 2.158239 2.157716 3.768683 4.743327 4.311810 4.826653 4.823990 4.977347 5.803929 5.227481 4.812526 5.754095 4.820578 4.022010 6.460952 6.363652 7.145384 7.085134 5.750048 7.341718 7.980409 7.298903 7.928911 5.247966 6.190481 4.466343 5.144176 6.583801 7.213333 6.006187 7.324867 4.690700 0.000000 3.885648 3.404432 2.148374 2.159561 2.481508 2.488387 4.651655 5.495472 5.397024 5.898114 5.889516 6.014688 6.831429 6.180329 5.678662 6.606076 5.542113 4.914549 7.340515 7.136488 8.008277 8.001316 5.767154 7.308402 7.833649 7.231519 8.019861 4.926186 5.772250 4.107256 4.759195 6.635967 7.395409 6.082158 7.243735 5.104019 1.085884 0.000000 1.393288 2.421828 2.801958 1.397985 3.887146 2.154842 3.720652 4.958133 2.572109 3.035458 2.760399 3.792422 4.650523 4.348575 4.031765 4.743406 4.581703 3.060383 5.823749 6.146626 6.395608 6.337824 7.269993 8.909052 9.663566 8.961907 9.268925 7.219542 8.195397 6.444835 7.252599 7.837610 8.216853 7.149583 8.733226 5.705087 2.423787 3.408423 0.000000 2.149271 3.405687 3.888387 2.159798 4.973462 2.485015 4.582674 5.823181 2.801093 3.125984 2.620605 4.207678 5.023902 4.818918 4.466476 4.975071 5.166514 3.468135 6.320497 6.788207 6.786512 6.795352 8.274075 9.935129 10.685454 10.018560 10.261830 8.244899 9.198389 7.433917 8.313722 8.730304 9.069814 7.985932 9.628959 6.693978 3.409351 4.307539 1.086639 0.000000 4.873557 4.009734 4.859836 6.797295 4.680173 7.882129 2.567673 1.499093 4.608820 4.797652 5.524599 3.421308 3.014439 3.611816 4.841811 5.640131 4.870284 5.333289 3.327985 3.037361 4.384878 2.984854 5.255702 5.842680 6.921587 5.771101 5.529550 6.537098 7.496383 6.673382 6.484332 6.192921 5.900103 6.345085 7.205426 3.095851 6.215052 6.973865 6.226352 6.992002 0.000000 5.502747 4.535495 5.230342 7.305492 4.900619 8.386410 3.143584 2.140472 5.318810 5.664261 6.156036 4.025018 3.757496 3.840996 4.920813 5.670673 4.734521 5.552581 3.232784 2.627315 4.184066 3.024714 5.514201 5.839133 6.933813 5.576074 5.548114 6.711818 7.657207 6.969486 6.498429 6.679855 6.438189 6.951536 7.624261 3.488242 6.612410 7.290352 6.828628 7.636060 1.096732 0.000000 4.801759 4.224336 5.301811 6.965677 5.317344 8.040795 2.817960 2.154412 4.204724 4.354873 5.015827 2.885445 2.252876 3.146244 4.552031 5.205574 4.773289 5.113951 2.769580 2.819095 3.787183 2.164783 6.248983 6.909607 7.981044 6.863341 6.564276 7.506452 8.484817 7.553467 7.473568 7.062615 6.722567 7.119926 8.106453 4.037407 6.586626 7.449621 6.193584 6.824286 1.093507 1.776153 0.000000 5.598131 4.727534 5.495559 7.454430 5.246825 8.526524 3.344923 2.150343 5.340839 5.341687 6.309303 4.277107 3.714437 4.642383 5.903176 6.704679 5.949865 6.338840 4.353801 4.080591 5.389707 3.866228 4.964340 5.410279 6.460076 5.481744 4.927989 6.467872 7.337417 6.685767 6.543985 5.698235 5.243783 5.945648 6.689879 3.081786 6.836377 7.548500 6.920122 7.683696 1.092762 1.763244 1.772273 0.000000 0.4354650 0.1554366 0.1261415 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 79. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 359 359 359 359 359 MxSgAt= 44 MxSgA2= 44. -10.21804 -10.21559 -10.21296 -10.21204 -10.20767 -10.20760 -10.20746 -10.20717 -10.20650 -10.20427 -10.19659 -10.18450 -10.18350 -6.62089 -4.78222 -4.78219 -4.78065 -4.18753 -2.37730 -2.35598 -2.35405 -0.89698 -0.84061 -0.82902 -0.80679 -0.79600 -0.78279 -0.73817 -0.72690 -0.72658 -0.72529 -0.70490 -0.66664 -0.64437 -0.61423 -0.58531 -0.55948 -0.53354 -0.50439 -0.49061 -0.48734 -0.48296 -0.47777 -0.46237 -0.46177 -0.46148 -0.45401 -0.45188 -0.44475 -0.44226 -0.43505 -0.43469 -0.42953 -0.42046 -0.41889 -0.40911 -0.39983 -0.39336 -0.39064 -0.38273 -0.38152 -0.37506 -0.37480 -0.36691 -0.35554 -0.34625 -0.34445 -0.33405 -0.32870 -0.32793 -0.30874 -0.28987 -0.27251 -0.26147 -0.24302 -0.09143 -0.04857 -0.03315 -0.02593 -0.01894 -0.01221 0.00748 0.01780 0.02692 0.03886 0.04853 0.05540 0.08456 0.08527 0.08914 0.09317 0.09745 0.10051 0.10266 0.10487 0.11623 0.12041 0.12694 0.13114 0.13926 0.14073 0.14433 0.15254 0.15508 0.16124 0.16563 0.16794 0.17017 0.17309 0.17682 0.18162 0.18303 0.18780 0.19393 0.19732 0.20379 0.20702 0.21330 0.21606 0.22934 0.23172 0.23623 0.24099 0.25091 0.26290 0.27253 0.28976 0.30738 0.31247 0.31978 0.32530 0.33537 0.36148 0.38816 0.39006 0.39648 0.40053 0.44914 0.45580 0.46301 0.47669 0.47953 0.50016 0.50163 0.50709 0.51674 0.52829 0.53388 0.54719 0.55638 0.56362 0.58075 0.59132 0.59312 0.60529 0.60659 0.60922 0.61478 0.61704 0.62082 0.62579 0.64103 0.64194 0.65607 0.66456 0.66676 0.67422 0.67928 0.68461 0.68837 0.69358 0.69868 0.70332 0.72061 0.73022 0.74168 0.75571 0.76335 0.76992 0.78187 0.79237 0.79963 0.80525 0.81235 0.81771 0.81885 0.82612 0.82803 0.84427 0.84536 0.85267 0.86283 0.86468 0.86812 0.87759 0.88255 0.88513 0.89039 0.89395 0.89667 0.90543 0.90661 0.91363 0.91972 0.92753 0.93020 0.93725 0.94193 0.94593 0.95318 0.95688 0.96958 0.98250 0.98580 1.00507 1.01356 1.02102 1.02363 1.03020 1.04144 1.05519 1.06903 1.07522 1.10283 1.11854 1.12859 1.16015 1.17318 1.18044 1.20761 1.21974 1.23525 1.23607 1.24181 1.28016 1.28984 1.31934 1.32279 1.33712 1.35375 1.37321 1.38130 1.40816 1.40956 1.42058 1.43918 1.44580 1.46136 1.47321 1.49002 1.50370 1.53630 1.56570 1.61601 1.62007 1.66965 1.67257 1.67430 1.69194 1.72187 1.73656 1.75300 1.76953 1.78528 1.79460 1.80008 1.81178 1.82741 1.84276 1.85421 1.86174 1.87497 1.89262 1.89467 1.91251 1.93263 1.93652 1.98733 1.99125 2.00430 2.04248 2.05081 2.06264 2.07801 2.09634 2.10114 2.11537 2.12420 2.15737 2.17236 2.18803 2.20389 2.20410 2.21263 2.21748 2.22096 2.22823 2.23660 2.23772 2.24344 2.25096 2.25595 2.25864 2.26637 2.27370 2.28460 2.29091 2.31205 2.33393 2.39494 2.41347 2.43100 2.44733 2.46899 2.50093 2.51250 2.57586 2.60486 2.62763 2.65629 2.66050 2.69059 2.71499 2.73350 2.76851 2.81385 2.85387 2.87376 2.98584 3.01312 3.15116 3.28138 3.45221 43.62281 43.66880 43.82105 87.85322 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 C C C C H H C C C H H C H C C H H H C H H H P C H H H C H H H C H H H Au C H C H C H H H 0.155609 0.057502 -0.142894 -0.114430 0.194514 0.164095 0.200824 -0.216640 -0.368207 0.187468 0.180496 -0.239777 0.149982 0.216790 -0.521338 0.169993 0.174524 0.167129 -0.516318 0.170000 0.168469 0.163219 0.673226 -0.657875 0.211580 0.223303 0.223058 -0.658040 0.211380 0.222997 0.222110 -0.654475 0.222120 0.222721 0.211106 -0.134979 -0.157309 0.164031 -0.204833 0.159791 -0.528956 0.211576 0.201957 0.214501 1.00000 -4.6501 -0.7836 -0.0013 4.7157 -72.4457 -112.1203 -129.9214 3.4047 -1.0853 -0.3446 32.3834 -7.2911 -25.0922 3.4047 -1.0853 -0.3446 -295.3012 37.4255 -0.6420 -34.1119 -3.1094 -9.6686 -69.6434 14.5565 10.2788 11.2675 -6500.4092 -2356.9341 -731.7275 -2.5639 17.6674 -155.4285 -27.4831 -9.5582 6.9891 -1530.0611 -1331.3050 -548.1962 73.0798 -3.5988 -20.9049 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 79. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 361 361 361 361 361 MxSgAt= 44 MxSgA2= 44. 1 Using compressed storage, NAtomX= 44. Will process 45 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 8.9300, EpsInf= 2.0283) Direct CPHF calculation. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 5502926062 using IRadAn= 2. Defaulting to unpruned grid for atomic number 79. Generate precomputed XC quadrature information. Keep R1 ints in memory in canonical form, NReq=1744618651. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 58653 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. There are 135 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 129 vectors produced by pass 0 Test12= 2.10D-14 1.00D-09 XBig12= 1.64D-01 1.54D-01. AX will form 129 AO Fock derivatives at one time. 129 vectors produced by pass 1 Test12= 2.10D-14 1.00D-09 XBig12= 4.86D-02 3.44D-02. 129 vectors produced by pass 2 Test12= 2.10D-14 1.00D-09 XBig12= 4.04D-04 2.66D-03. 129 vectors produced by pass 3 Test12= 2.10D-14 1.00D-09 XBig12= 1.11D-06 1.14D-04. 129 vectors produced by pass 4 Test12= 2.10D-14 1.00D-09 XBig12= 1.57D-09 3.16D-06. 88 vectors produced by pass 5 Test12= 2.10D-14 1.00D-09 XBig12= 1.26D-12 1.09D-07. 7 vectors produced by pass 6 Test12= 2.10D-14 1.00D-09 XBig12= 1.27D-15 2.86D-09. 1 vectors produced by pass 7 Test12= 2.10D-14 1.00D-09 XBig12= 9.49D-18 1.54D-09. InvSVY: IOpt=1 It= 1 EMax= 9.44D-16 Solved reduced A of dimension 741 with 135 vectors. End of Minotr F.D. properties file 721 does not exist. 0.000 0.000 0.000 0.000 0.000 0.000 417.723 -31.066 413.941 -27.469 -7.369 304.959 -1.82950062e+00 -3.08307472e-01 -4.93159594e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 6 6 6 6 1 1 6 6 6 1 1 6 1 6 6 1 1 1 6 1 1 1 15 6 1 1 1 6 1 1 1 6 1 1 1 79 6 1 6 1 6 1 1 1 -0.000001000 -0.000001641 0.000002552 -0.000000375 -0.000002169 -0.000002506 -0.000003807 -0.000000789 0.000000429 -0.000002925 -0.000000964 -0.000000287 -0.000003118 -0.000001259 -0.000001670 -0.000003509 -0.000001811 -0.000001213 -0.010661189 -0.002978583 0.004662428 0.000005093 0.000003023 0.000000599 0.000001973 0.000000547 0.000003196 0.000003390 0.000000434 0.000002633 0.000002324 -0.000000880 0.000004666 0.008606220 0.002304725 -0.004649316 0.000003418 -0.000000356 0.000004434 0.002061983 0.000673234 0.000001669 0.000000308 -0.000002910 0.000006227 -0.000000739 -0.000005315 0.000007268 -0.000002365 -0.000004304 0.000004339 -0.000001038 -0.000003999 0.000004590 0.000000793 -0.000002441 0.000007681 0.000000589 -0.000003839 0.000005932 0.000001472 -0.000003655 0.000008248 0.000003629 -0.000001940 0.000006511 0.000006968 0.000005355 -0.000008811 -0.000000034 0.000003097 -0.000005228 -0.000000592 0.000004248 -0.000006517 -0.000000261 0.000003342 -0.000006040 0.000001357 0.000003465 -0.000006450 -0.000001594 0.000001980 -0.000008006 -0.000002267 0.000002733 -0.000008218 -0.000001806 0.000002642 -0.000007114 -0.000003471 0.000001686 -0.000006606 0.000000732 0.000005039 -0.000005756 0.000003864 0.000005295 -0.000005568 0.000001580 0.000004651 -0.000006334 0.000001519 0.000006247 -0.000008062 -0.000015618 -0.000005260 0.000001009 -0.000003812 -0.000001808 -0.000001421 -0.000004853 -0.000002042 -0.000002745 -0.000000635 -0.000000624 0.000000131 -0.000000402 -0.000001193 0.000001765 0.000000824 -0.000010038 0.000003039 0.000001288 0.000000430 0.000002998 0.000002871 0.000003364 0.000004033 0.000003217 0.000002284 0.000001494 0.010661189 0.001376131 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1139.88035427020 -1139.88035707888 -0.000002808677 -1139.88035710587 -0.000000026989 -1139.88035711086 -0.000000004988 -1139.88035711196 -0.000000001103 -1139.88035711210 -0.000000000139 -1139.88035711211 -0.000000000009 -1139.88035711 7 1.044494399844e+03 -6.062273352285e+03 2.151683155823e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep R1 ints in memory in canonical form, NReq=1744654004. IVT= 423383 IEndB= 423383 NGot= 5502926848 MDV= 3782386935 LenX= 3782386935 LenY= 3782254725 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 58653 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) PT67373.400S 2022-09-19T14:31:46.000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 7 8 9 12 14 15 19 23 24 28 32 36 37 39 41 C C C C C C C C C C C P C C C Au C C C 0.155609 0.057502 0.051619 0.049665 0.200824 -0.216640 -0.000242 -0.089795 0.216790 -0.009692 -0.014629 0.673226 0.000065 -0.001552 0.001471 -0.134979 0.006721 -0.045042 0.099078 1.00000 -10.22506 -10.22004 -10.21225 -10.21123 -10.20730 -10.20503 -10.20486 -10.20481 -10.20398 -10.20368 -10.20343 -10.19849 -10.19727 -6.61320 -4.77464 -4.77462 -4.77267 -4.17768 -2.36643 -2.34540 -2.34501 -0.89810 -0.85617 -0.82130 -0.80228 -0.80130 -0.77594 -0.74370 -0.72297 -0.72255 -0.72102 -0.71517 -0.67310 -0.64073 -0.61027 -0.58064 -0.55906 -0.54784 -0.50368 -0.49815 -0.49329 -0.48629 -0.47181 -0.46317 -0.45781 -0.45760 -0.45582 -0.45250 -0.44004 -0.43526 -0.43174 -0.43098 -0.43077 -0.42638 -0.41691 -0.41190 -0.40754 -0.40304 -0.39460 -0.38398 -0.38209 -0.37614 -0.37497 -0.36453 -0.36016 -0.34619 -0.33855 -0.32849 -0.32024 -0.31898 -0.30970 -0.28410 -0.27176 -0.25818 -0.24638 -0.09754 -0.06150 -0.03070 -0.02334 -0.01768 -0.01419 0.00341 0.01770 0.03758 0.04196 0.05505 0.05730 0.08581 0.08776 0.08889 0.09427 0.09534 0.09915 0.10443 0.10808 0.11431 0.11826 0.12654 0.13219 0.13878 0.14038 0.14540 0.14859 0.15564 0.15739 0.16330 0.16513 0.17027 0.17402 0.17876 0.17994 0.18492 0.19028 0.19208 0.19777 0.20272 0.20482 0.20776 0.21570 0.22254 0.23147 0.23885 0.25002 0.25455 0.26261 0.27861 0.28782 0.30087 0.31654 0.31914 0.32791 0.34024 0.35703 0.38677 0.39221 0.39403 0.40096 0.44245 0.45679 0.46920 0.47608 0.48630 0.49418 0.50044 0.50706 0.51161 0.53097 0.53503 0.54121 0.55099 0.55808 0.57927 0.58671 0.59511 0.60025 0.60984 0.61036 0.61564 0.62052 0.62368 0.62759 0.63780 0.64194 0.65608 0.66291 0.66430 0.67249 0.67653 0.68360 0.68738 0.69300 0.69454 0.70453 0.72092 0.72490 0.73452 0.75096 0.75871 0.77076 0.77459 0.79241 0.79689 0.80741 0.80984 0.81702 0.82456 0.83336 0.83527 0.84426 0.84593 0.85650 0.86256 0.86601 0.87167 0.87634 0.87771 0.88782 0.89057 0.89375 0.89835 0.91249 0.91377 0.91484 0.92063 0.92342 0.93048 0.93480 0.94133 0.94965 0.95346 0.96002 0.97599 0.98102 1.00344 1.00609 1.01796 1.02144 1.02889 1.03821 1.04701 1.05779 1.07303 1.07666 1.10390 1.11849 1.12234 1.15667 1.16570 1.16646 1.21318 1.22058 1.23178 1.24211 1.24832 1.26257 1.28688 1.31871 1.32953 1.34329 1.36664 1.38092 1.38359 1.39809 1.41953 1.42723 1.44336 1.44634 1.47025 1.48059 1.48347 1.51216 1.55563 1.56974 1.62016 1.62133 1.67526 1.67798 1.69329 1.70749 1.74417 1.74794 1.76517 1.78179 1.79601 1.79987 1.81216 1.81502 1.84314 1.85697 1.86847 1.87536 1.88621 1.89802 1.90522 1.91335 1.93408 1.96470 1.97936 1.99576 2.01023 2.03516 2.05809 2.06396 2.08055 2.08440 2.11217 2.11616 2.13274 2.16206 2.17575 2.17780 2.20622 2.20720 2.21649 2.22290 2.22625 2.23148 2.23361 2.23905 2.23994 2.24194 2.25694 2.25993 2.27082 2.27647 2.28993 2.30479 2.32438 2.34231 2.37930 2.40227 2.41372 2.45316 2.46006 2.49382 2.50204 2.56610 2.59979 2.61824 2.63919 2.66156 2.70190 2.70771 2.74248 2.76055 2.78164 2.82897 2.86316 2.94303 2.96468 3.08365 3.22582 3.42082 43.63062 43.69656 43.87013 87.87733 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 C C C C H H C C C H H C H C C H H H C H H H P C H H H C H H H C H H H Au C H C H C H H H 0.113982 0.119562 -0.162838 -0.125088 0.195238 0.159771 0.034157 -0.135617 -0.345780 0.193254 0.187542 -0.255416 0.181088 0.249255 -0.523044 0.195967 0.192078 0.184898 -0.518782 0.197164 0.188418 0.180401 0.663594 -0.656727 0.207242 0.219433 0.219424 -0.658226 0.207448 0.219497 0.218380 -0.653835 0.219100 0.219276 0.206964 -0.167650 -0.156056 0.160259 -0.196161 0.157629 -0.525598 0.205602 0.175075 0.209120 1.00000 -1.67986221e-01 1.48641358e-01 1.69272466e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.4270 0.3778 0.4302 0.7143 -58.1436 -113.3168 -130.0706 8.8284 -2.8369 -0.1500 42.3667 -12.8065 -29.5603 8.8284 -2.8369 -0.1500 -204.8756 38.3096 19.7237 -27.3022 21.0445 6.0735 -61.1590 22.3592 11.8606 15.2991 -6187.7794 -2386.6684 -720.7435 122.9798 89.1107 -54.4996 -44.3304 75.2381 -21.1104 -1508.0429 -1289.2653 -559.1887 70.6618 18.2271 15.8027 0 -1139.8803571 3.216E-9 2.989E-6 31.4986315,-9.5213037,-21.9773278,6.5637238,-2.109148,-0.1115373 C01 [X(C17H25Au1P1)] -1.1457003 0.4729481 0.2535802 0.000002040 0.000001965 0.000000815 0.000002126 0.000001722 0.000000178 0.000002057 0.000000867 0.000001484 0.000004259 0.000002190 0.000002671 0.000001735 0.000000509 0.000001254 0.000005451 0.000002416 0.000003605 -0.000001386 0.000002177 0.000001693 -0.000001269 -0.000000929 -0.000002480 0.000000447 0.000002145 -0.000000155 0.000000016 0.000001220 0.000000004 0.000000492 0.000003613 -0.000000147 -0.000001956 0.000002638 -0.000000363 -0.000002038 0.000001656 -0.000001629 -0.000002064 0.000003482 -0.000002093 -0.000001420 0.000005253 -0.000000808 -0.000000676 0.000007184 -0.000000981 -0.000000366 0.000005860 -0.000000723 0.000000727 0.000005350 -0.000000082 -0.000003172 0.000004269 -0.000002697 -0.000003047 0.000003966 -0.000002505 -0.000003564 0.000005862 -0.000002884 -0.000004148 0.000003561 -0.000003780 -0.000000105 -0.000004731 0.000000584 -0.000001192 -0.000005488 -0.000000405 -0.000000517 -0.000006591 0.000000158 -0.000001289 -0.000004225 -0.000000560 -0.000002225 -0.000006006 -0.000000996 0.000002265 -0.000004210 0.000001679 0.000002582 -0.000005224 0.000001941 0.000002986 -0.000003696 0.000002288 0.000001947 -0.000002830 0.000001576 0.000000490 -0.000007027 0.000000859 -0.000000421 -0.000007579 0.000000099 0.000001366 -0.000006774 0.000001618 0.000000985 -0.000007786 0.000001374 -0.000000810 -0.000002366 -0.000000173 0.000003717 0.000001581 0.000002516 0.000004588 0.000001269 0.000003081 0.000003049 0.000002347 0.000001933 0.000003456 0.000002947 0.000002184 -0.000003262 0.000000050 -0.000001794 -0.000003959 0.000000539 -0.000002963 -0.000003736 0.000000502 -0.000002711 -0.000004159 -0.000001679 -0.000002664 432.12221099999994 AuxInfo=1/0/N:41,15,19,8,37,4,7,3,39,12,9,14,2,1;24,28,32,23;36/E:(2,3);(1,2,3);/CRV:4.2,5.3,6.3,7.2,8.3,9.3,10.3,12.3,13.3,14.3;;/rA:44nC3C3C3C3HHC2C3CHHC3HC3CHHHCHHHP4CHHHCHHHCHHHAuC3HC3HCHHH/rB:s1;s2;;s3;s4;s2;s7;s1;s9;s9;s9;s12;s12;s14;s15;s15;s15;s14;s19;s19;s19;;s23;s24;s24;s24;s23;s28;s28;s28;s23;s32;s32;s32;s8s23;s3s4;s37;s1s4;s39;s8;s41;s41;s41;/rC:3.0425,-1.4479,-.8578;1.9407,-.9772,-.1222;1.1831,-1.8694,.658;2.5806,-3.6966,-.0957;.3537,-1.4965,1.2503;2.8324,-4.753,-.0842;1.6322,.4341,-.2285;.7373,1.3643,-.2592;3.8443,-.3948,-1.5956;3.5514,-.3751,-2.6522;4.9115,-.6449,-1.5717;3.5968,.9763,-.9901;3.3107,1.7699,-1.6754;4.0035,1.3469,.2722;4.6129,.395,1.2602;5.666,.673,1.4049;4.1264,.4953,2.238;4.5749,-.6495,.9526;3.9095,2.7682,.7499;3.1332,2.8639,1.5197;4.8551,3.0575,1.224;3.6915,3.4738,-.0545;-3.3994,-.2762,.0682;-4.5655,.9046,.8497;-5.5688,.4685,.8962;-4.2229,1.1403,1.8611;-4.596,1.8275,.2638;-3.5372,-1.8131,1.0617;-4.5789,-2.1477,1.1006;-2.9203,-2.5941,.6085;-3.1771,-1.6236,2.0768;-4.1579,-.6879,-1.5508;-4.1727,.2038,-2.1835;-3.5635,-1.4613,-2.0452;-5.1812,-1.0491,-1.4062;-1.2165,.523,-.0904;1.5008,-3.2263,.6588;.9141,-3.9139,1.2606;3.3551,-2.8056,-.8444;4.2124,-3.1652,-1.407;.7945,2.8538,-.4182;.7334,3.3407,.5626;1.7231,3.1688,-.9022;-.0449,3.2193,-1.0149;/R:/0/N:15,19,41,24,28,32,4,37,39,3,12,9,7,14,8,1,2,36,23/E:(1,2)(4,5,6)/CRV:7.3,8.3,9.3,10.3,11.3,13.2,14.3,15.3,16.3,17.3,18.2,19.4 Gaussian 09 GINC-KIMIK6011 EGARCIA opt freq EM64L-G09RevD.01 RB3LYP GenECP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/GenECP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 432.12221099999994 AuxInfo=1/0/N:41,15,19,8,37,4,7,3,39,12,9,14,2,1;24,28,32,23;36/E:(2,3);(1,2,3);/CRV:4.2,5.3,6.3,7.2,8.3,9.3,10.3,12.3,13.3,14.3;;/rA:44nC3C3C3C3HHC2C3CHHC3HC3CHHHCHHHP4CHHHCHHHCHHHAuC3HC3HCHHH/rB:s1;s2;;s3;s4;s2;s7;s1;s9;s9;s9;s12;s12;s14;s15;s15;s15;s14;s19;s19;s19;;s23;s24;s24;s24;s23;s28;s28;s28;s23;s32;s32;s32;s8s23;s3s4;s37;s1s4;s39;s8;s41;s41;s41;/rC:3.0425,-1.4479,-.8578;1.9407,-.9772,-.1222;1.1831,-1.8694,.658;2.5806,-3.6966,-.0957;.3537,-1.4965,1.2503;2.8324,-4.753,-.0842;1.6322,.4341,-.2285;.7373,1.3643,-.2592;3.8443,-.3948,-1.5956;3.5514,-.3751,-2.6522;4.9115,-.6449,-1.5717;3.5968,.9763,-.9901;3.3107,1.7699,-1.6754;4.0035,1.3469,.2722;4.6129,.395,1.2602;5.666,.673,1.4049;4.1264,.4953,2.238;4.5749,-.6495,.9526;3.9095,2.7682,.7499;3.1332,2.8639,1.5197;4.8551,3.0575,1.224;3.6915,3.4738,-.0545;-3.3994,-.2762,.0682;-4.5655,.9046,.8497;-5.5688,.4685,.8962;-4.2229,1.1403,1.8611;-4.596,1.8275,.2638;-3.5372,-1.8131,1.0617;-4.5789,-2.1477,1.1006;-2.9203,-2.5941,.6085;-3.1771,-1.6236,2.0768;-4.1579,-.6879,-1.5508;-4.1727,.2038,-2.1835;-3.5635,-1.4613,-2.0452;-5.1812,-1.0491,-1.4062;-1.2165,.5231,-.0904;1.5008,-3.2263,.6588;.9141,-3.9139,1.2606;3.3551,-2.8056,-.8444;4.2124,-3.1652,-1.407;.7945,2.8538,-.4182;.7334,3.3407,.5626;1.7231,3.1688,-.9022;-.0449,3.2193,-1.0149;/R:/0/N:15,19,41,24,28,32,4,37,39,3,12,9,7,14,8,1,2,36,23/E:(1,2)(4,5,6)/CRV:7.3,8.3,9.3,10.3,11.3,13.2,14.3,15.3,16.3,17.3,18.2,19.4 opt freq Redundant internal coordinates found in file. 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 12 12 12 12 1 1 12 12 12 1 1 12 1 12 12 1 1 1 12 1 1 1 31 12 1 1 1 12 1 1 1 12 1 1 1 197 12 1 12 1 12 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 30.9737634 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 196.9666000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 1 1 0 0 0 1 1 0 1 0 0 1 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 3 0 1 0 1 0 1 1 1 -3.6000000 -3.6000000 -3.6000000 -3.6000000 -1.0000000 -1.0000000 -3.6000000 -3.6000000 -3.6000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 -3.6000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -12.9400000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Structure from the checkpoint file: "Me-TS1-2-5exo.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 1 2 2 3 3 4 4 4 7 7 7 8 8 9 9 9 12 12 14 14 15 15 15 19 19 19 23 23 23 23 24 24 24 28 28 28 32 32 32 37 39 41 41 41 2 9 39 3 7 5 37 6 37 39 8 12 14 36 41 10 11 12 13 14 15 19 16 17 18 20 21 22 24 28 32 36 25 26 27 29 30 31 33 34 35 38 40 42 43 44 1.4059 1.5154 1.3933 1.4066 1.4485 1.0853 1.3936 1.086 1.3987 1.398 1.2911 2.1757 2.5897 2.134 1.4991 1.0967 1.0963 1.5191 1.0868 1.377 1.5012 1.5024 1.0987 1.0967 1.0895 1.0975 1.0966 1.092 1.8344 1.8351 1.8347 2.33 1.0949 1.0935 1.0936 1.0949 1.0936 1.0936 1.0934 1.0935 1.0948 1.0859 1.0866 1.0967 1.0935 1.0928 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 2 2 9 1 1 3 2 2 5 6 6 37 2 7 7 36 1 1 1 10 10 11 9 9 13 12 12 15 14 14 14 16 16 17 14 14 14 20 20 21 24 24 24 28 28 32 23 23 23 25 25 26 23 23 23 29 29 30 23 23 23 33 33 34 3 3 4 1 1 4 8 8 8 42 42 43 1 1 1 2 2 2 3 3 3 4 4 4 7 8 8 8 9 9 9 9 9 9 12 12 12 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 23 23 23 23 23 23 24 24 24 24 24 24 28 28 28 28 28 28 32 32 32 32 32 32 37 37 37 39 39 39 41 41 41 41 41 41 9 39 39 3 7 7 5 37 37 37 39 39 8 36 41 41 10 11 12 11 12 12 13 14 14 15 19 19 16 17 18 17 18 18 20 21 22 21 22 22 28 32 36 32 36 36 25 26 27 26 27 27 29 30 31 30 31 31 33 34 35 34 35 35 4 38 38 4 40 40 42 43 44 43 44 44 115.8956 119.8069 124.2739 119.9915 117.0469 122.9564 119.7626 119.6787 120.5581 120.025 119.8154 120.1467 148.3492 110.4084 133.7848 115.786 109.8888 110.2348 110.3014 106.567 108.9255 110.8437 116.7824 124.0664 117.3384 123.5442 121.8449 114.5796 108.3793 110.4079 114.0721 106.5368 108.2473 108.9046 110.4724 109.4589 112.9279 106.48 108.6088 108.6723 105.1106 104.9253 113.812 104.998 113.2351 113.8419 110.1341 109.4892 109.4307 109.4925 109.4675 108.8051 110.2826 109.3547 109.4322 109.4628 109.4653 108.8198 109.4636 109.4475 110.1141 108.8203 109.4417 109.5324 120.2057 119.5833 120.2046 120.1291 119.6364 120.2283 110.1278 111.4411 111.1583 108.3757 107.2823 108.3166 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A77 A78 8 8 36 36 23 23 5 5 -1 -2 183.0761 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 178.9666 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 9 9 39 39 2 2 2 39 39 39 2 2 9 9 1 1 7 7 1 3 2 2 5 5 6 6 39 39 6 6 37 37 2 2 7 7 7 41 41 41 7 7 7 36 36 36 1 1 10 10 11 11 9 9 13 13 12 12 12 19 19 19 12 12 12 15 15 15 28 28 28 32 32 32 36 36 36 24 24 24 32 32 32 36 36 36 24 24 24 28 28 28 36 36 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 4 4 4 4 4 4 4 4 7 7 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 12 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 2 2 2 2 9 9 9 9 9 9 39 39 39 39 3 3 3 3 7 7 37 37 37 37 37 37 37 37 39 39 39 39 8 8 23 23 23 23 23 23 41 41 41 41 41 41 12 12 12 12 12 12 14 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 24 24 24 24 24 24 24 24 24 28 28 28 28 28 28 28 28 28 32 32 32 32 32 32 32 32 32 3 7 3 7 10 11 12 10 11 12 4 40 4 40 5 37 5 37 8 8 4 38 4 38 3 38 3 38 1 40 1 40 36 41 24 28 32 24 28 32 42 43 44 42 43 44 13 14 13 14 13 14 15 19 15 19 16 17 18 16 17 18 20 21 22 20 21 22 25 26 27 25 26 27 25 26 27 29 30 31 29 30 31 29 30 31 33 34 35 33 34 35 33 34 35 -176.2965 4.5107 2.0133 -177.1795 -99.5362 143.3008 20.569 82.2386 -34.9244 -157.6562 -0.3771 -179.4776 177.7829 -1.3176 177.9633 -2.3272 -2.8935 176.816 145.4351 -33.7317 1.0088 -179.9153 -179.284 -0.2081 179.3193 0.2492 0.6264 -178.4437 -179.6409 -0.5458 -0.9453 178.1498 -0.451 -178.6735 151.2138 31.1102 -89.6751 -30.3936 -150.4972 88.7174 -98.4013 21.9067 142.84 83.4489 -156.2432 -35.3099 -128.2875 67.4926 -7.6037 -171.8236 109.338 -54.8819 -6.7601 171.0951 -170.8996 6.9557 112.102 -131.562 -8.549 -65.8946 50.4413 173.4544 110.0677 -132.9926 -11.7861 -71.8979 45.0418 166.2483 -55.3736 65.0743 -175.7535 55.0763 175.5241 -65.3037 -179.8324 -59.3846 59.7876 55.4443 175.863 -65.0267 -54.9533 65.4654 -175.4244 -179.7334 -59.3147 59.7956 65.8387 -174.9758 -54.5177 176.3696 -64.4449 56.0132 -59.2338 59.9517 -179.5901 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 9.00e-02 1.00e-07 1.00e-07 2 2 Berny optimization. saddle point Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. -0.01004 0.00049 0.00106 0.00179 0.00205 0.00234 0.00266 0.00344 0.00404 0.00680 0.01075 0.01349 0.01498 0.01703 0.01785 0.01838 0.01918 0.02070 0.02236 0.02286 0.02442 0.02596 0.02702 0.02797 0.02970 0.03455 0.04011 0.04083 0.04163 0.04202 0.04286 0.04621 0.04669 0.04841 0.05343 0.05539 0.05646 0.05859 0.05902 0.05964 0.06117 0.06764 0.07329 0.07475 0.07923 0.08134 0.08385 0.09736 0.10654 0.11203 0.11439 0.11474 0.11609 0.11628 0.11723 0.12022 0.12073 0.12450 0.12474 0.12507 0.12633 0.12715 0.12763 0.12803 0.12889 0.13615 0.14062 0.14375 0.14551 0.14972 0.15037 0.15245 0.15327 0.15699 0.16191 0.18362 0.18626 0.19178 0.19219 0.20009 0.21716 0.21795 0.21922 0.22326 0.23977 0.27432 0.28007 0.30463 0.31816 0.32199 0.33030 0.33175 0.33378 0.33638 0.33746 0.33860 0.33955 0.34161 0.34234 0.34234 0.34284 0.34314 0.34569 0.34583 0.34596 0.34812 0.35066 0.35075 0.35106 0.35117 0.35170 0.35638 0.35928 0.36046 0.36325 0.36458 0.36623 0.38430 0.41673 0.44876 0.46682 0.47752 0.51009 0.52930 0.71899 0.91600 R12 R13 A13 A14 A15 1 -0.66704 -0.53306 -0.23511 0.16269 -0.15495 D49 D51 D48 D54 D53 Angle between quadratic step and forces= 72.16 degrees. 1 2 0.00011442 0.00000000 0.00000000 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 2.65680 2.86369 2.63293 2.65813 2.73724 2.05093 2.63355 2.05216 2.64316 2.64181 2.43991 4.11152 4.89382 4.03261 2.83288 2.07245 2.07174 2.87071 2.05378 2.60213 2.83686 2.83908 2.07630 2.07253 2.05883 2.07393 2.07231 2.06360 3.46653 3.46791 3.46708 4.40300 2.06907 2.06639 2.06665 2.06898 2.06662 2.06668 2.06624 2.06648 2.06894 2.05202 2.05345 2.07252 2.06643 2.06502 2.02276 2.09102 2.16899 2.09425 2.04285 2.14599 2.09025 2.08879 2.10414 2.09483 2.09117 2.09696 2.58918 1.92699 2.33499 2.02085 1.91792 1.92396 1.92512 1.85995 1.90111 1.93459 2.03824 2.16537 2.04794 2.15625 2.12660 1.99979 1.89157 1.92698 1.99093 1.85942 1.88927 1.90074 1.92811 1.91042 1.97096 1.85843 1.89558 1.89669 1.83453 1.83129 1.98639 1.83256 1.97633 1.98692 1.92220 1.91095 1.90993 1.91101 1.91057 1.89901 1.92479 1.90860 1.90995 1.91049 1.91053 1.89926 1.91050 1.91022 1.92185 1.89927 1.91012 1.91170 2.09798 2.08712 2.09797 2.09665 2.08805 2.09838 1.92209 1.94501 1.94008 1.89151 1.87243 1.89048 3.19528 3.12356 -3.07695 0.07873 0.03514 -3.09237 -1.73723 2.50107 0.35900 1.43533 -0.60955 -2.75162 -0.00658 -3.13248 3.10290 -0.02300 3.10604 -0.04062 -0.05050 3.08602 2.53832 -0.58873 0.01761 -3.14011 -3.12910 -0.00363 3.12971 0.00435 0.01093 -3.11443 -3.13533 -0.00953 -0.01650 3.10930 -0.00787 -3.11844 2.63918 0.54298 -1.56513 -0.53047 -2.62667 1.54841 -1.71743 0.38234 2.49303 1.45646 -2.72696 -0.61627 -2.23904 1.17797 -0.13271 -2.99889 1.90831 -0.95787 -0.11799 2.98617 -2.98276 0.12140 1.95655 -2.29619 -0.14921 -1.15008 0.88037 3.02735 1.92104 -2.32116 -0.20571 -1.25486 0.78613 2.90158 -0.96645 1.13576 -3.06748 0.96126 3.06347 -1.13976 -3.13867 -1.03646 1.04349 0.96769 3.06939 -1.13493 -0.95912 1.14259 -3.06173 -3.13694 -1.03524 1.04363 1.14910 -3.05390 -0.95151 3.07823 -1.12478 0.97761 -1.03382 1.04636 -3.13444 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00005 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00002 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00006 -0.00005 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00005 -0.00003 0.00004 0.00003 0.00004 0.00002 0.00000 0.00001 0.00003 0.00002 0.00003 0.00004 0.00004 0.00004 -0.00004 -0.00002 -0.00004 -0.00003 -0.00004 -0.00003 -0.00003 -0.00004 -0.00002 -0.00003 0.00012 0.00011 0.00011 0.00012 0.00012 0.00011 0.00003 0.00003 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00006 0.00006 0.00006 0.00006 0.00006 0.00006 0.00006 0.00006 0.00005 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00005 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00002 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00006 -0.00005 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00005 -0.00003 0.00004 0.00003 0.00004 0.00002 0.00000 0.00001 0.00003 0.00002 0.00003 0.00004 0.00004 0.00004 -0.00004 -0.00002 -0.00004 -0.00003 -0.00004 -0.00003 -0.00003 -0.00004 -0.00002 -0.00003 0.00012 0.00011 0.00011 0.00012 0.00012 0.00011 0.00003 0.00003 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00006 0.00006 0.00006 0.00006 0.00006 0.00006 0.00006 0.00006 0.00005 2.65680 2.86369 2.63293 2.65813 2.73725 2.05093 2.63355 2.05216 2.64316 2.64181 2.43991 4.11150 4.89377 4.03261 2.83288 2.07245 2.07174 2.87071 2.05378 2.60213 2.83686 2.83908 2.07630 2.07253 2.05883 2.07393 2.07231 2.06360 3.46653 3.46791 3.46708 4.40300 2.06907 2.06639 2.06665 2.06898 2.06662 2.06668 2.06624 2.06648 2.06894 2.05202 2.05345 2.07252 2.06643 2.06502 2.02275 2.09103 2.16899 2.09425 2.04285 2.14599 2.09025 2.08879 2.10414 2.09483 2.09117 2.09696 2.58917 1.92699 2.33498 2.02086 1.91792 1.92397 1.92512 1.85995 1.90111 1.93459 2.03823 2.16537 2.04794 2.15626 2.12658 1.99980 1.89158 1.92698 1.99093 1.85942 1.88927 1.90074 1.92811 1.91042 1.97096 1.85842 1.89559 1.89669 1.83453 1.83129 1.98639 1.83255 1.97633 1.98692 1.92220 1.91095 1.90993 1.91101 1.91057 1.89901 1.92479 1.90860 1.90995 1.91049 1.91053 1.89927 1.91051 1.91022 1.92185 1.89927 1.91012 1.91170 2.09798 2.08712 2.09796 2.09665 2.08805 2.09838 1.92209 1.94502 1.94008 1.89151 1.87243 1.89048 3.19529 3.12357 -3.07696 0.07873 0.03514 -3.09236 -1.73722 2.50108 0.35901 1.43534 -0.60954 -2.75162 -0.00658 -3.13248 3.10290 -0.02299 3.10605 -0.04062 -0.05050 3.08602 2.53827 -0.58878 0.01761 -3.14011 -3.12910 -0.00363 3.12971 0.00435 0.01093 -3.11443 -3.13532 -0.00952 -0.01650 3.10930 -0.00792 -3.11848 2.63922 0.54300 -1.56509 -0.53045 -2.62667 1.54843 -1.71740 0.38237 2.49306 1.45650 -2.72692 -0.61623 -2.23908 1.17794 -0.13275 -2.99892 1.90827 -0.95790 -0.11802 2.98613 -2.98278 0.12137 1.95666 -2.29608 -0.14910 -1.14996 0.88049 3.02746 1.92107 -2.32113 -0.20569 -1.25484 0.78615 2.90159 -0.96644 1.13578 -3.06746 0.96127 3.06348 -1.13976 -3.13866 -1.03644 1.04350 0.96771 3.06941 -1.13491 -0.95910 1.14261 -3.06171 -3.13692 -1.03522 1.04365 1.14916 -3.05384 -0.95146 3.07829 -1.12472 0.97767 -1.03377 1.04641 -3.13438 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000002 0.000000 0.000405 0.000114 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.974265e-10 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 1 2 2 3 3 4 4 4 7 7 7 8 8 9 9 9 12 12 14 14 15 15 15 19 19 19 23 23 23 23 24 24 24 28 28 28 32 32 32 37 39 41 41 41 2 9 39 3 7 5 37 6 37 39 8 12 14 36 41 10 11 12 13 14 15 19 16 17 18 20 21 22 24 28 32 36 25 26 27 29 30 31 33 34 35 38 40 42 43 44 1.4059 1.5154 1.3933 1.4066 1.4485 1.0853 1.3936 1.086 1.3987 1.398 1.2911 2.1757 2.5897 2.134 1.4991 1.0967 1.0963 1.5191 1.0868 1.377 1.5012 1.5024 1.0987 1.0967 1.0895 1.0975 1.0966 1.092 1.8344 1.8351 1.8347 2.33 1.0949 1.0935 1.0936 1.0949 1.0936 1.0936 1.0934 1.0935 1.0948 1.0859 1.0866 1.0967 1.0935 1.0928 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 2 2 9 1 1 3 2 2 5 6 6 37 2 7 7 36 1 1 1 10 10 11 9 9 13 12 12 15 14 14 14 16 16 17 14 14 14 20 20 21 24 24 24 28 28 32 23 23 23 25 25 26 23 23 23 29 29 30 23 23 23 33 33 34 3 3 4 1 1 4 8 8 8 42 42 43 1 1 1 2 2 2 3 3 3 4 4 4 7 8 8 8 9 9 9 9 9 9 12 12 12 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 23 23 23 23 23 23 24 24 24 24 24 24 28 28 28 28 28 28 32 32 32 32 32 32 37 37 37 39 39 39 41 41 41 41 41 41 9 39 39 3 7 7 5 37 37 37 39 39 8 36 41 41 10 11 12 11 12 12 13 14 14 15 19 19 16 17 18 17 18 18 20 21 22 21 22 22 28 32 36 32 36 36 25 26 27 26 27 27 29 30 31 30 31 31 33 34 35 34 35 35 4 38 38 4 40 40 42 43 44 43 44 44 115.8956 119.8069 124.2739 119.9915 117.0469 122.9564 119.7626 119.6787 120.5581 120.025 119.8154 120.1467 148.3492 110.4084 133.7848 115.786 109.8888 110.2348 110.3014 106.567 108.9255 110.8437 116.7824 124.0664 117.3384 123.5442 121.8449 114.5796 108.3793 110.4079 114.0721 106.5368 108.2473 108.9046 110.4724 109.4589 112.9279 106.48 108.6088 108.6723 105.1106 104.9253 113.812 104.998 113.2351 113.8419 110.1341 109.4892 109.4307 109.4925 109.4675 108.8051 110.2826 109.3547 109.4322 109.4628 109.4653 108.8198 109.4636 109.4475 110.1141 108.8203 109.4417 109.5324 120.2057 119.5833 120.2046 120.1291 119.6364 120.2283 110.1278 111.4411 111.1583 108.3757 107.2823 108.3166 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A77 8 36 23 5 -1 183.0761 -DE/DX|=|0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 9 9 39 39 2 2 2 39 39 39 2 2 9 9 1 1 7 7 1 3 2 2 5 5 6 6 39 39 6 6 37 37 2 2 7 7 7 41 41 41 7 7 7 36 36 36 1 1 10 10 11 11 9 9 13 13 12 12 12 19 19 19 12 12 12 15 15 15 28 28 28 32 32 32 36 36 36 24 24 24 32 32 32 36 36 36 24 24 24 28 28 28 36 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 4 4 4 4 4 4 4 4 7 7 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 12 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 2 2 2 2 9 9 9 9 9 9 39 39 39 39 3 3 3 3 7 7 37 37 37 37 37 37 37 37 39 39 39 39 8 8 23 23 23 23 23 23 41 41 41 41 41 41 12 12 12 12 12 12 14 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 24 24 24 24 24 24 24 24 24 28 28 28 28 28 28 28 28 28 32 32 32 32 32 32 32 32 3 7 3 7 10 11 12 10 11 12 4 40 4 40 5 37 5 37 8 8 4 38 4 38 3 38 3 38 1 40 1 40 36 41 24 28 32 24 28 32 42 43 44 42 43 44 13 14 13 14 13 14 15 19 15 19 16 17 18 16 17 18 20 21 22 20 21 22 25 26 27 25 26 27 25 26 27 29 30 31 29 30 31 29 30 31 33 34 35 33 34 35 33 34 -176.2965 4.5107 2.0133 -177.1795 -99.5362 143.3008 20.569 82.2386 -34.9244 -157.6562 -0.3771 -179.4776 177.7829 -1.3176 177.9633 -2.3272 -2.8935 176.816 145.4351 -33.7317 1.0088 -179.9153 -179.284 -0.2081 179.3193 0.2492 0.6264 -178.4437 -179.6409 -0.5458 -0.9453 178.1498 -0.451 -178.6735 151.2138 31.1102 -89.6751 -30.3936 -150.4972 88.7174 -98.4013 21.9067 142.84 83.4489 -156.2432 -35.3099 -128.2875 67.4926 -7.6037 -171.8236 109.338 -54.8819 -6.7601 171.0951 -170.8996 6.9557 112.102 -131.562 -8.549 -65.8946 50.4413 173.4544 110.0677 -132.9926 -11.7861 -71.8979 45.0418 166.2483 -55.3736 65.0743 -175.7535 55.0763 175.5241 -65.3037 -179.8324 -59.3846 59.7876 55.4443 175.863 -65.0267 -54.9533 65.4654 -175.4244 -179.7334 -59.3147 59.7956 65.8387 -174.9758 -54.5177 176.3696 -64.4449 56.0132 -59.2338 59.9517 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D3 -0.0493201379 PCM (using non-symmetric T matrix) UFF Total charges None Matrix inversion Dichloromethane 8.930000 2.028346 0.000000 1.405916 0.000000 2.435624 1.406621 0.000000 2.418885 2.793890 2.420718 0.000000 3.417018 2.161507 1.085305 3.407565 0.000000 3.400882 3.879845 3.403807 1.085958 4.304565 0.000000 2.434491 1.448487 2.508678 4.240308 2.747508 5.326051 0.000000 3.685159 2.636141 3.390664 5.388660 3.257326 6.468438 1.291144 0.000000 1.515400 2.476687 3.786160 3.840464 4.636566 4.722519 2.729376 3.812311 0.000000 2.151727 3.059052 4.335759 4.302428 5.168434 5.126118 3.195731 4.083018 1.096691 0.000000 2.155821 3.322195 4.513433 4.113945 5.427916 4.838519 3.704303 4.814859 1.096315 1.757922 0.000000 2.490301 2.704116 4.079224 4.865109 4.653225 5.850609 2.175724 2.976832 1.519116 2.142695 2.166750 0.000000 3.330832 3.440285 4.818217 5.736841 5.288958 6.731117 2.587500 2.965189 2.230868 2.369231 2.899014 1.086814 0.000000 3.164023 3.132399 4.295035 5.253278 4.728903 6.221454 2.589696 3.309126 2.558763 3.423749 2.862080 1.376988 2.109931 0.000000 3.216867 3.306766 4.153691 4.765506 4.660321 5.610633 3.331941 4.274102 3.061046 4.126405 3.031525 2.536577 3.493345 1.501202 0.000000 4.062071 4.351204 5.207419 5.555608 5.740290 6.299818 4.358413 5.247706 3.668961 4.693651 3.341558 3.179508 4.029660 2.121546 1.098730 0.000000 3.812441 3.537831 4.092784 5.040632 4.379048 5.883164 3.508255 4.298457 3.945664 5.000286 4.053411 3.306436 4.195738 2.145845 1.096734 1.759546 0.000000 2.502643 2.863906 3.616521 3.789647 4.315676 4.577136 3.350876 4.500085 2.663035 3.757341 2.546580 2.715477 3.789117 2.185137 1.089488 1.773085 1.778785 0.000000 4.594742 4.320268 5.380385 6.653942 5.575131 7.643529 3.404581 3.612764 3.938256 4.645791 4.247677 2.517195 2.690200 1.502376 2.527255 2.811358 2.725302 3.487696 0.000000 4.924633 4.344168 5.191241 6.779027 5.177967 7.789685 3.348560 3.339705 4.563952 5.298246 5.003044 3.174457 3.381868 2.148243 2.889978 3.350792 2.666874 3.839743 1.097474 0.000000 5.283724 5.156037 6.170703 7.247963 6.403308 8.173480 4.402115 4.692852 4.570534 5.339278 4.639679 3.288896 3.528374 2.134805 2.673709 2.525049 2.850237 3.727399 1.096618 1.757795 0.000000 5.028885 4.783431 5.945501 7.256114 6.127606 8.271561 3.675675 3.635793 4.167056 4.645698 4.555669 2.668692 2.382380 2.174369 3.472224 3.724608 3.783632 4.335424 1.092008 1.778143 1.778154 0.000000 6.612661 5.389176 4.887224 6.891002 4.119666 7.674526 5.090136 4.462152 7.433256 7.464794 8.479079 7.185794 7.228547 7.581414 8.128164 9.212356 7.870175 8.031838 7.946892 7.392007 8.976956 8.022349 0.000000 8.144389 6.842211 6.385798 8.551732 5.488547 9.359940 6.308395 5.437025 8.854005 8.932254 9.903390 8.367442 8.316248 8.599796 9.201669 10.249129 8.811550 9.272169 8.678096 7.972337 9.670735 8.694629 1.834410 0.000000 8.994577 7.714827 7.149163 9.205692 6.249966 9.940019 7.288371 6.473346 9.775515 9.822421 10.824290 9.371458 9.335513 9.632672 10.188394 11.248082 9.787569 10.205262 9.754377 9.047149 10.745565 9.782011 2.438565 1.094903 0.000000 8.177821 6.812255 6.303256 8.573978 5.317065 9.396375 6.256802 5.399051 8.909852 9.116245 9.920059 8.324939 8.346160 8.380959 8.887494 9.910411 8.382636 9.023895 8.367873 7.563057 9.300099 8.470664 2.428832 1.093486 1.787047 0.000000 8.386423 7.123401 6.871707 9.063597 6.043303 9.929937 6.401143 5.378892 8.923833 8.929396 9.993666 8.331824 8.141248 8.612891 9.372733 10.389548 9.041676 9.524469 8.571201 7.898895 9.579070 8.455429 2.428136 1.093626 1.786885 1.778398 0.000000 6.863652 5.666328 4.737899 6.504997 3.908294 7.108261 5.782499 5.487444 7.972434 8.130719 8.926311 7.930004 8.198960 8.214021 8.446217 9.539203 8.089663 8.195882 8.748649 8.159537 9.704607 9.025009 1.835137 2.913401 3.059453 3.135562 3.874424 0.000000 7.900051 6.735765 5.785747 7.422234 4.977673 7.944725 6.856435 6.515048 9.016298 9.128388 9.973317 8.998539 9.235799 9.303541 9.538348 10.630465 9.168511 9.276847 9.815442 9.206997 10.775446 10.066546 2.441193 3.062578 2.804646 3.393537 4.062304 1.094855 0.000000 6.246462 5.174673 4.167216 5.654316 3.512185 6.183313 5.531375 5.458959 7.446833 7.578835 8.359959 7.601083 7.942675 7.973882 8.130671 9.221261 7.864794 7.751009 8.684502 8.201510 9.632029 8.998602 2.427745 3.873738 4.059188 4.148708 4.741025 1.093606 1.786779 0.000000 6.879390 5.607614 4.591875 6.493740 3.628473 7.111733 5.716503 5.450469 8.018571 8.318366 8.927179 7.877322 8.227199 7.977550 8.088609 9.161112 7.606366 7.893488 8.442110 7.763264 9.335772 8.814982 2.428824 3.134497 3.389805 2.963041 4.148530 1.093641 1.786835 1.778673 0.000000 7.273428 6.270287 5.899234 7.521784 5.371631 8.218215 6.044232 5.462844 8.007685 7.793781 9.069448 7.951053 7.863576 8.606445 9.273633 10.348700 9.186057 9.084605 9.073073 8.671978 10.146974 9.009501 1.834702 2.909446 3.052209 3.871383 3.132361 2.911440 3.055870 3.135008 3.872633 0.000000 7.519562 6.558664 6.407526 8.073366 5.930413 8.834411 6.129594 5.399773 8.060780 7.759869 9.144179 7.898479 7.662366 8.613125 9.438272 10.483070 9.407879 9.331831 8.972325 8.611942 10.062553 8.778979 2.428693 3.137784 3.391685 4.151829 2.967210 3.873305 4.059491 4.146341 4.741359 1.093407 0.000000 6.711908 5.850513 5.477650 6.822618 5.119223 7.455738 5.821460 5.447157 7.497761 7.222899 8.527402 7.637171 7.604805 8.397381 9.012518 10.081774 9.017155 8.710943 9.030412 8.732858 10.098569 8.997455 2.428563 3.870672 4.049336 4.739433 4.148902 3.126837 3.376100 2.956244 4.143268 1.093534 1.778430 0.000000 8.251595 7.237045 6.740815 8.304993 6.155684 8.926561 7.071786 6.493799 9.051217 8.846735 10.102122 9.018295 8.951658 9.639303 10.252772 11.337065 10.114181 10.045190 10.092689 9.643781 11.158405 10.050325 2.438510 3.047192 2.784716 4.048101 3.377282 3.062170 2.802427 3.399721 4.059301 1.094834 1.786367 1.787469 0.000000 4.755270 3.495635 3.470162 5.676629 2.888189 6.650547 2.853494 2.133964 5.359144 5.486597 6.411761 4.917672 4.956093 5.297027 5.985174 7.044632 5.828257 6.000285 5.658908 5.195404 6.709377 5.726865 2.329965 3.499289 4.462982 3.636956 3.639746 3.488569 4.456113 3.620489 3.626118 3.500105 3.636163 3.642471 4.463393 0.000000 2.799869 2.421150 1.393616 1.398697 2.158239 2.157716 3.768683 4.743327 4.311810 4.826653 4.823990 4.977347 5.803929 5.227481 4.812526 5.754095 4.820578 4.022010 6.460952 6.363652 7.145384 7.085134 5.750048 7.341718 7.980409 7.298903 7.928911 5.247966 6.190481 4.466343 5.144176 6.583801 7.213333 6.006187 7.324867 4.690700 0.000000 3.885648 3.404432 2.148374 2.159561 2.481508 2.488387 4.651655 5.495472 5.397024 5.898114 5.889516 6.014688 6.831429 6.180329 5.678662 6.606076 5.542113 4.914549 7.340515 7.136488 8.008277 8.001316 5.767154 7.308402 7.833649 7.231519 8.019861 4.926186 5.772250 4.107256 4.759195 6.635967 7.395409 6.082158 7.243735 5.104019 1.085884 0.000000 1.393288 2.421828 2.801958 1.397985 3.887146 2.154842 3.720652 4.958133 2.572109 3.035458 2.760399 3.792422 4.650523 4.348575 4.031765 4.743406 4.581703 3.060383 5.823749 6.146626 6.395608 6.337824 7.269993 8.909052 9.663566 8.961907 9.268925 7.219542 8.195397 6.444835 7.252599 7.837610 8.216853 7.149583 8.733226 5.705087 2.423787 3.408423 0.000000 2.149271 3.405687 3.888387 2.159798 4.973462 2.485015 4.582674 5.823181 2.801093 3.125984 2.620605 4.207678 5.023902 4.818918 4.466476 4.975071 5.166514 3.468135 6.320497 6.788207 6.786512 6.795352 8.274075 9.935129 10.685454 10.018560 10.261830 8.244899 9.198389 7.433917 8.313722 8.730304 9.069814 7.985932 9.628959 6.693978 3.409351 4.307539 1.086639 0.000000 4.873557 4.009734 4.859836 6.797295 4.680173 7.882129 2.567673 1.499093 4.608820 4.797652 5.524599 3.421308 3.014439 3.611816 4.841811 5.640131 4.870284 5.333289 3.327985 3.037361 4.384878 2.984854 5.255702 5.842680 6.921587 5.771101 5.529550 6.537098 7.496383 6.673382 6.484332 6.192921 5.900103 6.345085 7.205426 3.095851 6.215052 6.973865 6.226352 6.992002 0.000000 5.502747 4.535495 5.230342 7.305492 4.900619 8.386410 3.143584 2.140472 5.318810 5.664261 6.156036 4.025018 3.757496 3.840996 4.920813 5.670673 4.734521 5.552581 3.232784 2.627315 4.184066 3.024714 5.514201 5.839133 6.933813 5.576074 5.548114 6.711818 7.657207 6.969486 6.498429 6.679855 6.438189 6.951536 7.624261 3.488242 6.612410 7.290352 6.828628 7.636060 1.096732 0.000000 4.801759 4.224336 5.301811 6.965677 5.317344 8.040795 2.817960 2.154412 4.204724 4.354873 5.015827 2.885445 2.252876 3.146244 4.552031 5.205574 4.773289 5.113951 2.769580 2.819095 3.787183 2.164783 6.248983 6.909607 7.981044 6.863341 6.564276 7.506452 8.484817 7.553467 7.473568 7.062615 6.722567 7.119926 8.106453 4.037407 6.586626 7.449621 6.193584 6.824286 1.093507 1.776153 0.000000 5.598131 4.727534 5.495559 7.454430 5.246825 8.526524 3.344923 2.150343 5.340839 5.341687 6.309303 4.277107 3.714437 4.642383 5.903176 6.704679 5.949865 6.338840 4.353801 4.080591 5.389707 3.866228 4.964340 5.410279 6.460076 5.481744 4.927989 6.467872 7.337417 6.685767 6.543985 5.698235 5.243783 5.945648 6.689879 3.081786 6.836377 7.548500 6.920122 7.683696 1.092762 1.763244 1.772273 0.000000 0.4354650 0.1554366 0.1261415 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 79. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 361 361 361 361 361 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -1139.88035711206 -1139.88035711 1 1.044494399267e+03 -6.062273348648e+03 2.151683152763e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep R1 ints in memory in canonical form, NReq=1744654004. IVT= 423383 IEndB= 423383 NGot= 5502926848 MDV= 3782386935 LenX= 3782386935 LenY= 3782254725 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 58653 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Using compressed storage, NAtomX= 44. Will process 45 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 8.9300, EpsInf= 2.0283) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 5502926062 using IRadAn= 2. Defaulting to unpruned grid for atomic number 79. Generate precomputed XC quadrature information. Keep R1 ints in memory in canonical form, NReq=1744604847. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 58653 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. Defaulting to unpruned grid for atomic number 79. There are 135 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 132 vectors produced by pass 0 Test12= 2.10D-14 1.00D-09 XBig12= 4.62D+02 1.16D+01. AX will form 132 AO Fock derivatives at one time. 132 vectors produced by pass 1 Test12= 2.10D-14 1.00D-09 XBig12= 5.96D+01 1.20D+00. 132 vectors produced by pass 2 Test12= 2.10D-14 1.00D-09 XBig12= 5.91D-01 7.82D-02. 132 vectors produced by pass 3 Test12= 2.10D-14 1.00D-09 XBig12= 1.50D-03 4.49D-03. 132 vectors produced by pass 4 Test12= 2.10D-14 1.00D-09 XBig12= 1.65D-06 1.25D-04. 84 vectors produced by pass 5 Test12= 2.10D-14 1.00D-09 XBig12= 1.57D-09 3.61D-06. 6 vectors produced by pass 6 Test12= 2.10D-14 1.00D-09 XBig12= 1.24D-12 1.04D-07. 3 vectors produced by pass 7 Test12= 2.10D-14 1.00D-09 XBig12= 1.29D-15 3.18D-09. 1 vectors produced by pass 8 Test12= 2.10D-14 1.00D-09 XBig12= 8.26D-17 2.03D-09. InvSVY: IOpt=1 It= 1 EMax= 6.04D-14 Solved reduced A of dimension 754 with 135 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 340.36 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 434.272 -4.203 351.612 -14.336 -2.230 235.207 486.039 -11.800 410.715 -26.315 -6.386 294.161 (Enter /mnt/data/applications/G09/g09/l716.exe) PT6595S 2022-09-19T14:37:19.000 -10.22506 -10.22004 -10.21225 -10.21123 -10.20730 -10.20503 -10.20486 -10.20481 -10.20398 -10.20368 -10.20343 -10.19849 -10.19727 -6.61320 -4.77464 -4.77462 -4.77267 -4.17768 -2.36643 -2.34540 -2.34501 -0.89810 -0.85617 -0.82130 -0.80228 -0.80130 -0.77594 -0.74370 -0.72297 -0.72255 -0.72102 -0.71517 -0.67310 -0.64073 -0.61027 -0.58064 -0.55906 -0.54784 -0.50368 -0.49815 -0.49329 -0.48629 -0.47181 -0.46317 -0.45781 -0.45760 -0.45582 -0.45250 -0.44004 -0.43526 -0.43174 -0.43098 -0.43077 -0.42638 -0.41691 -0.41190 -0.40754 -0.40304 -0.39460 -0.38398 -0.38209 -0.37614 -0.37497 -0.36453 -0.36016 -0.34619 -0.33855 -0.32849 -0.32024 -0.31898 -0.30970 -0.28410 -0.27176 -0.25818 -0.24638 -0.09754 -0.06150 -0.03070 -0.02334 -0.01768 -0.01419 0.00341 0.01770 0.03758 0.04196 0.05505 0.05730 0.08581 0.08776 0.08889 0.09427 0.09534 0.09915 0.10443 0.10808 0.11431 0.11826 0.12654 0.13219 0.13878 0.14038 0.14540 0.14859 0.15564 0.15739 0.16330 0.16513 0.17027 0.17402 0.17876 0.17994 0.18492 0.19028 0.19208 0.19777 0.20272 0.20482 0.20776 0.21570 0.22254 0.23147 0.23885 0.25002 0.25455 0.26261 0.27861 0.28782 0.30087 0.31654 0.31914 0.32791 0.34024 0.35703 0.38677 0.39221 0.39403 0.40096 0.44245 0.45679 0.46920 0.47608 0.48630 0.49418 0.50044 0.50706 0.51161 0.53097 0.53503 0.54121 0.55099 0.55808 0.57927 0.58671 0.59511 0.60025 0.60984 0.61036 0.61564 0.62052 0.62368 0.62759 0.63780 0.64194 0.65608 0.66291 0.66430 0.67249 0.67653 0.68360 0.68738 0.69300 0.69454 0.70453 0.72092 0.72490 0.73452 0.75096 0.75871 0.77076 0.77459 0.79241 0.79689 0.80741 0.80984 0.81702 0.82456 0.83336 0.83527 0.84426 0.84593 0.85650 0.86256 0.86601 0.87167 0.87634 0.87771 0.88782 0.89057 0.89375 0.89835 0.91249 0.91377 0.91484 0.92063 0.92342 0.93048 0.93480 0.94133 0.94965 0.95346 0.96002 0.97599 0.98102 1.00344 1.00609 1.01796 1.02144 1.02889 1.03821 1.04701 1.05779 1.07303 1.07666 1.10390 1.11849 1.12234 1.15667 1.16570 1.16646 1.21318 1.22058 1.23178 1.24211 1.24832 1.26257 1.28688 1.31871 1.32953 1.34329 1.36664 1.38092 1.38359 1.39809 1.41953 1.42723 1.44336 1.44634 1.47025 1.48059 1.48347 1.51216 1.55563 1.56974 1.62016 1.62133 1.67526 1.67798 1.69329 1.70749 1.74417 1.74794 1.76517 1.78179 1.79601 1.79987 1.81216 1.81502 1.84314 1.85697 1.86847 1.87536 1.88621 1.89802 1.90522 1.91335 1.93408 1.96470 1.97936 1.99576 2.01023 2.03516 2.05809 2.06396 2.08055 2.08440 2.11217 2.11616 2.13274 2.16206 2.17575 2.17780 2.20622 2.20720 2.21649 2.22290 2.22625 2.23148 2.23361 2.23905 2.23994 2.24194 2.25694 2.25993 2.27082 2.27647 2.28993 2.30479 2.32438 2.34231 2.37930 2.40227 2.41372 2.45316 2.46006 2.49382 2.50204 2.56610 2.59979 2.61824 2.63919 2.66156 2.70190 2.70771 2.74248 2.76055 2.78164 2.82897 2.86316 2.94303 2.96468 3.08365 3.22582 3.42082 43.63062 43.69656 43.87013 87.87733 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 C C C C H H C C C H H C H C C H H H C H H H P C H H H C H H H C H H H Au C H C H C H H H 0.113982 0.119562 -0.162838 -0.125088 0.195238 0.159771 0.034157 -0.135616 -0.345780 0.193254 0.187542 -0.255416 0.181089 0.249254 -0.523044 0.195967 0.192078 0.184898 -0.518782 0.197164 0.188418 0.180401 0.663594 -0.656727 0.207242 0.219433 0.219424 -0.658226 0.207448 0.219497 0.218380 -0.653834 0.219100 0.219276 0.206964 -0.167650 -0.156057 0.160259 -0.196161 0.157629 -0.525598 0.205602 0.175075 0.209120 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 7 8 9 12 14 15 19 23 24 28 32 36 37 39 41 C C C C C C C C C C C P C C C Au C C C 0.113982 0.119562 0.032400 0.034682 0.034157 -0.135616 0.035017 -0.074328 0.249254 0.049899 0.047201 0.663594 -0.010628 -0.012901 -0.008494 -0.167650 0.004203 -0.038532 0.064199 1.00000 -1.67987581e-01 1.48642228e-01 1.69271263e-01 4.34271781e+02 -4.20312422e+00 3.51612302e+02 -1.43360905e+01 -2.22953426e+00 2.35207226e+02 -250.5640 -16.1836 -5.5298 -0.0013 -0.0010 -0.0009 3.8176 23.7560 26.7192 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -250.5604 20.2580 26.0126 47.0877 51.9736 60.5316 69.5983 89.7587 113.8279 115.1085 130.7634 138.6579 153.3383 160.9782 163.9044 186.7041 200.8559 211.5292 216.1567 224.9847 228.7698 247.1522 257.8467 261.7609 284.5646 298.8769 343.8660 350.5166 391.4653 412.1164 432.3904 462.5697 468.0158 511.2516 548.5084 567.2305 589.9131 668.4214 672.5066 724.3914 731.2988 743.6206 744.6244 773.5179 789.4910 823.5628 833.0446 884.3890 884.7954 888.5139 911.1652 956.3459 968.9977 980.3851 984.6678 989.4176 993.6546 998.5194 1002.2280 1010.7854 1026.9878 1047.6286 1067.5196 1085.9265 1101.1862 1123.5206 1132.2217 1200.5947 1204.2517 1216.3866 1247.4400 1255.2481 1302.4378 1333.6108 1352.7296 1354.3730 1371.1654 1374.3284 1381.1653 1426.0547 1428.3990 1431.3364 1474.4595 1476.7673 1477.6130 1479.6003 1485.0445 1488.5372 1490.1928 1493.6298 1496.9996 1497.3697 1500.2285 1505.6213 1513.8438 1522.0470 1526.0135 1620.4703 1625.7709 1647.4615 1836.6877 3044.5802 3049.7299 3053.4895 3055.8178 3063.1344 3063.9282 3065.1190 3088.9336 3096.7240 3102.9775 3121.9082 3142.2865 3150.3499 3150.6767 3150.7195 3152.0159 3158.5770 3159.6378 3160.6772 3181.2470 3188.0071 3194.8127 3201.7888 3212.0593 3221.9807 7.8558 4.0520 4.3729 2.9272 2.8138 3.1975 4.9076 2.4548 2.2861 1.4772 2.5735 1.7398 3.2663 3.0784 2.9733 3.3328 1.0458 1.0800 1.5917 1.8367 1.6599 2.5354 2.3081 2.0886 1.8784 3.9615 3.5910 3.9795 3.5977 3.9096 2.7128 3.2287 2.7155 3.3703 4.5705 4.6190 5.4372 4.1341 4.1472 2.9423 4.5605 4.1278 4.1686 1.4542 2.9838 1.1596 3.4347 1.3080 1.2490 1.2401 1.3995 1.5035 1.5288 4.0101 1.5841 1.3915 1.3805 1.2935 1.4858 1.2312 2.3899 1.4833 2.2124 1.4175 1.7006 1.6257 2.1061 1.1114 1.6521 1.8647 2.1045 2.1274 1.4741 3.4307 1.2080 1.2066 1.9512 1.1997 1.5388 1.1935 1.2870 1.2304 1.0526 1.0482 1.0479 1.0531 1.0477 1.0489 2.0322 1.0713 1.0444 1.1403 1.1561 1.0807 1.2186 1.0574 1.8322 4.0655 5.3397 5.7407 11.3416 1.0423 1.0397 1.0603 1.0383 1.0327 1.0328 1.0326 1.1044 1.0972 1.0988 1.0969 1.1037 1.1045 1.1016 1.1044 1.1048 1.1045 1.1045 1.1036 1.0974 1.0895 1.0871 1.0891 1.0930 1.0976 0.2906 0.0010 0.0017 0.0038 0.0045 0.0069 0.0140 0.0117 0.0175 0.0115 0.0259 0.0197 0.0452 0.0470 0.0471 0.0684 0.0249 0.0285 0.0438 0.0548 0.0512 0.0912 0.0904 0.0843 0.0896 0.2085 0.2502 0.2881 0.3248 0.3912 0.2988 0.4070 0.3504 0.5190 0.8102 0.8756 1.1148 1.0883 1.1051 0.9097 1.4370 1.3448 1.3618 0.5127 1.0957 0.4634 1.4043 0.6028 0.5761 0.5768 0.6846 0.8102 0.8458 2.2709 0.9049 0.8026 0.8031 0.7598 0.8793 0.7411 1.4851 0.9592 1.4855 0.9849 1.2150 1.2090 1.5907 0.9439 1.4116 1.6256 1.9295 1.9750 1.4733 3.5949 1.3023 1.3040 2.1613 1.3350 1.7295 1.4301 1.5471 1.4852 1.3483 1.3468 1.3480 1.3584 1.3614 1.3693 2.6589 1.4081 1.3789 1.5064 1.5330 1.4434 1.6454 1.4432 2.5138 6.2899 8.3154 9.1800 22.5422 5.6923 5.6976 5.8248 5.7127 5.7092 5.7126 5.7159 6.2084 6.1991 6.2336 6.2990 6.4210 6.4588 6.4430 6.4595 6.4670 6.4921 6.4967 6.4957 6.5432 6.5242 6.5377 6.5783 6.6443 6.7133 876.0498 2.5090 2.2635 0.0344 0.2381 3.2030 1.4624 2.0130 0.3477 0.1393 16.7030 2.3833 1.3261 1.1685 1.3320 1.5265 0.0652 0.0733 0.7685 8.3781 5.3296 1.4243 0.7241 3.6992 2.3751 9.2278 1.8152 12.8788 6.1233 2.5444 15.9659 9.0372 9.7598 72.0421 3.3578 0.4129 193.4803 12.6352 6.9561 15.3673 247.5528 11.2888 11.9138 47.3727 7.3893 0.0571 17.0517 2.9516 6.1924 6.9338 32.4910 2.7421 7.5389 165.2290 16.0220 45.8859 46.5769 0.0332 254.3496 9.0072 2.3295 19.5987 5.2060 31.1752 13.5923 15.0011 3.0795 1.0225 12.9929 2.1393 9.6676 1.4670 31.9513 1.9216 10.4566 10.1920 23.5598 0.3447 20.6567 10.9684 38.0545 13.6188 0.0535 0.2483 0.3683 29.0424 19.7360 20.4787 23.2411 36.1702 11.3856 9.8726 12.5821 3.4546 25.2183 25.2653 19.1046 289.0117 40.6855 15.5915 295.0683 2.2920 16.9102 31.0360 31.9946 10.1553 3.2354 2.5162 9.5361 4.1880 14.1922 13.0157 18.0594 5.3907 14.0474 7.7569 0.5374 2.8939 3.3929 0.2411 9.1900 19.9290 5.3499 4.6680 31.9123 25.2661 0.04 -0.07 -0.01 0.09 0.03 -0.02 0.02 0.08 -0.03 -0.03 -0.01 0.01 0.05 0.11 -0.02 -0.08 -0.02 0.04 0.49 0.17 -0.11 0.00 -0.12 0.03 -0.05 0.00 0.02 0.03 -0.01 0.00 0.01 0.25 0.12 -0.46 -0.08 0.08 -0.24 -0.02 0.05 -0.19 -0.01 0.07 -0.05 0.01 -0.02 -0.01 -0.01 -0.29 0.18 0.11 0.08 -0.16 -0.01 0.04 -0.06 0.00 0.01 -0.02 0.07 0.04 -0.02 -0.10 -0.02 -0.03 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.02 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.02 -0.01 0.00 0.01 0.01 0.00 -0.02 0.06 -0.02 -0.05 0.09 -0.01 0.01 -0.06 -0.02 -0.01 -0.10 -0.03 0.04 -0.09 -0.01 0.03 -0.08 -0.01 0.02 -0.02 -0.01 0.03 -0.10 0.01 0.07 0.01 0.01 0.03 -0.02 -0.05 0.00 -0.04 -0.10 0.07 -0.01 -0.04 -0.04 -0.06 -0.14 0.09 0.00 -0.03 0.01 -0.02 -0.05 0.00 -0.03 -0.10 0.10 0.02 0.06 0.16 0.03 0.04 0.10 0.03 0.11 0.05 0.01 0.05 0.08 0.02 0.04 -0.05 0.00 0.09 -0.10 0.00 0.12 -0.14 0.07 0.26 -0.23 -0.09 0.06 0.01 0.01 0.06 -0.13 -0.01 0.11 -0.17 -0.07 0.08 -0.16 0.02 0.16 -0.13 0.00 0.12 -0.01 0.04 0.08 0.05 0.08 0.12 0.04 0.11 0.17 0.11 0.09 0.10 0.06 0.08 0.11 -0.01 0.06 0.11 -0.02 0.09 0.17 -0.05 0.04 0.10 0.04 0.07 0.09 -0.10 0.04 0.12 -0.09 0.03 0.11 -0.14 0.01 0.11 -0.10 0.07 0.17 0.00 -0.01 -0.03 0.02 -0.03 -0.09 0.00 -0.05 -0.13 0.10 0.01 0.01 0.14 0.03 0.06 -0.01 -0.03 -0.14 -0.03 0.00 -0.16 0.00 -0.04 -0.14 0.00 -0.06 -0.17 0.05 0.01 0.00 0.05 -0.02 0.01 0.07 -0.03 0.02 0.12 0.00 0.02 0.07 -0.05 0.02 0.15 0.01 0.03 0.02 -0.03 0.01 -0.01 -0.05 0.03 0.02 0.02 -0.01 0.01 0.00 -0.01 0.02 0.05 -0.02 -0.02 0.02 -0.03 -0.06 0.00 -0.03 0.01 0.05 -0.04 0.06 0.08 -0.05 0.08 0.06 -0.15 0.15 0.14 -0.01 0.01 0.07 0.00 0.00 0.06 -0.07 0.01 0.06 -0.06 0.00 0.08 -0.08 -0.02 0.04 -0.08 -0.06 0.08 -0.03 0.03 0.16 -0.02 -0.01 0.25 -0.05 0.04 0.11 -0.01 0.12 0.18 0.00 -0.22 0.06 -0.09 -0.25 0.15 -0.14 -0.27 0.02 -0.09 -0.24 0.00 -0.07 -0.07 0.20 -0.06 0.02 0.22 -0.03 -0.13 0.16 -0.08 -0.10 0.28 -0.08 -0.01 -0.05 0.02 0.11 -0.02 0.02 0.13 -0.04 0.03 0.09 0.01 0.01 0.10 0.03 0.01 -0.04 -0.04 0.04 -0.05 -0.05 0.05 -0.05 -0.02 0.05 -0.05 -0.05 0.05 0.00 -0.02 0.04 -0.01 0.00 0.02 -0.03 0.01 0.02 -0.05 -0.01 0.05 -0.04 0.03 0.00 -0.06 -0.01 0.05 0.00 0.00 0.00 0.00 0.01 -0.02 0.02 -0.03 0.04 0.05 -0.06 0.03 0.02 -0.04 0.08 0.01 -0.02 0.00 0.01 -0.04 -0.02 0.00 0.02 -0.01 0.00 0.05 0.02 0.02 0.01 -0.05 0.05 0.13 0.04 -0.06 0.04 0.08 0.01 0.04 -0.06 0.00 0.07 -0.07 0.01 0.04 -0.05 0.04 0.01 -0.08 0.01 -0.02 0.01 0.06 -0.10 0.20 0.06 -0.10 0.21 0.11 -0.22 0.21 0.03 -0.04 0.31 0.06 -0.13 -0.16 0.06 -0.11 -0.11 0.01 -0.09 -0.30 0.15 -0.25 -0.17 -0.08 0.18 0.00 -0.14 0.26 0.12 -0.09 0.26 -0.14 -0.06 0.13 0.02 0.00 0.00 -0.01 -0.05 0.01 0.03 -0.07 0.02 0.02 -0.02 -0.02 0.06 -0.02 -0.03 0.07 0.00 0.00 -0.04 -0.01 0.02 -0.04 0.01 0.00 -0.03 0.01 -0.01 -0.06 0.04 -0.02 0.04 0.00 -0.03 -0.02 -0.07 -0.04 -0.10 -0.07 -0.05 -0.09 -0.10 -0.05 -0.14 -0.10 -0.06 -0.12 0.00 -0.02 0.00 0.01 -0.02 0.01 0.10 -0.04 0.10 0.23 -0.08 0.06 0.10 -0.03 0.23 0.04 -0.01 0.02 0.02 -0.06 -0.03 0.02 0.07 0.00 0.03 0.14 0.05 0.12 -0.03 -0.22 0.25 0.40 0.13 -0.21 0.09 0.23 0.03 0.10 -0.10 0.01 0.18 -0.14 0.02 0.11 -0.08 0.09 0.06 -0.16 0.00 0.00 0.00 -0.03 0.00 -0.05 -0.03 -0.01 -0.06 -0.06 0.03 -0.05 -0.03 -0.01 -0.07 0.00 0.02 0.04 0.00 0.00 0.02 0.02 0.02 0.07 -0.03 0.05 0.04 0.04 -0.05 0.00 0.04 -0.07 -0.03 0.05 -0.06 0.03 0.04 -0.05 -0.02 0.00 0.00 0.02 -0.11 -0.05 -0.14 -0.17 -0.06 -0.21 0.00 -0.03 0.01 0.03 -0.03 0.05 0.01 -0.02 0.01 -0.04 -0.02 0.00 0.02 -0.01 0.05 0.03 -0.03 -0.03 -0.01 0.02 0.02 -0.01 0.01 0.03 0.00 0.00 0.03 0.00 0.01 0.01 0.00 0.00 0.03 0.00 0.01 0.00 0.00 0.01 0.04 -0.01 0.01 0.07 -0.02 0.03 0.03 -0.04 0.05 0.03 -0.02 0.04 0.01 -0.02 0.02 0.06 -0.04 0.03 0.08 0.06 0.01 0.04 0.14 0.00 -0.02 0.23 -0.17 -0.34 0.42 0.18 0.09 -0.11 -0.02 0.08 0.11 0.00 0.05 0.13 0.02 0.08 0.13 -0.03 0.03 0.11 0.02 0.07 -0.01 0.00 0.02 0.05 0.04 0.05 0.04 0.05 0.13 0.11 0.06 0.03 0.03 0.02 0.03 0.03 0.04 0.09 0.03 0.05 0.17 -0.01 0.01 0.08 0.10 0.07 0.06 -0.12 -0.05 0.08 -0.14 -0.07 0.05 -0.16 -0.08 0.08 -0.12 -0.02 0.16 -0.01 -0.01 -0.06 0.00 0.01 0.02 0.00 0.00 0.01 -0.01 0.02 0.01 -0.01 0.02 0.00 0.00 0.02 0.19 -0.01 -0.07 0.23 0.02 0.05 0.24 0.02 0.08 0.20 -0.08 0.04 0.00 -0.03 0.07 0.05 -0.04 0.09 0.07 -0.20 0.04 -0.09 0.01 0.12 0.12 -0.28 0.02 -0.16 0.00 0.08 0.06 0.00 0.07 0.03 -0.04 0.03 0.02 -0.02 0.03 0.01 -0.05 -0.01 0.04 0.00 0.04 0.00 0.01 0.03 -0.01 -0.04 0.05 0.01 -0.11 0.05 0.06 -0.18 0.16 0.30 -0.33 -0.08 -0.04 0.06 0.07 -0.02 -0.02 0.06 -0.03 -0.02 0.10 -0.03 -0.02 0.08 -0.05 -0.03 0.04 -0.05 0.04 -0.01 0.00 0.14 0.10 -0.01 0.10 0.18 0.01 0.17 0.10 -0.02 0.21 0.09 -0.04 -0.06 0.03 0.04 -0.09 0.10 0.04 -0.11 -0.03 0.07 -0.06 0.03 0.04 -0.01 0.01 0.02 0.07 -0.01 -0.01 -0.08 -0.06 0.04 -0.04 0.10 0.04 0.05 -0.06 -0.01 -0.13 0.07 -0.01 -0.14 0.08 -0.01 -0.17 0.02 -0.08 -0.22 -0.01 -0.13 -0.05 0.07 0.01 -0.04 0.07 0.01 -0.07 0.09 -0.01 -0.07 0.04 0.03 -0.02 0.02 0.02 -0.01 0.02 0.04 -0.01 0.02 0.03 -0.05 0.01 -0.03 0.00 0.02 0.05 -0.07 0.01 -0.06 -0.02 0.01 0.03 -0.01 0.02 -0.06 -0.01 0.02 0.02 -0.02 0.03 0.02 -0.02 0.01 0.01 0.00 0.02 0.03 -0.05 0.02 0.06 0.03 0.00 0.03 0.19 0.00 -0.07 0.26 -0.10 -0.40 0.48 0.11 0.06 0.00 -0.02 0.00 -0.09 -0.05 0.12 -0.11 -0.18 0.12 -0.13 0.00 0.17 -0.15 0.00 0.18 0.01 -0.01 0.00 0.01 0.00 -0.01 0.00 0.02 -0.03 -0.01 0.00 0.00 0.03 0.01 -0.01 -0.03 -0.01 -0.01 -0.03 0.00 -0.04 -0.03 -0.01 0.00 -0.05 -0.02 0.00 0.03 0.01 -0.01 0.05 0.02 -0.01 0.03 0.01 -0.01 0.02 0.02 -0.03 0.00 -0.01 0.01 -0.03 0.01 0.00 -0.03 0.01 -0.01 -0.05 0.02 -0.02 -0.06 0.02 -0.04 -0.02 0.00 -0.20 -0.02 0.10 -0.24 -0.02 -0.04 -0.22 -0.02 -0.06 -0.24 0.01 -0.01 0.00 0.06 -0.01 0.08 0.11 -0.02 0.11 -0.02 -0.03 -0.10 0.16 -0.02 0.19 -0.07 -0.04 -0.19 0.05 -0.01 0.09 0.02 -0.04 0.02 0.00 0.01 0.01 0.00 0.03 0.01 0.00 0.00 0.00 0.02 0.00 0.03 0.02 0.00 0.03 0.04 0.02 0.02 0.00 0.02 0.05 -0.03 0.06 0.15 -0.10 -0.03 0.00 0.07 0.02 0.02 0.07 0.03 -0.02 -0.03 0.11 -0.14 0.03 -0.02 0.10 0.24 0.03 -0.07 -0.02 0.01 -0.01 -0.05 -0.02 0.00 -0.03 -0.05 0.02 -0.04 0.00 0.00 -0.09 -0.02 0.00 0.03 0.01 0.00 0.04 -0.01 0.03 0.04 0.03 -0.01 0.05 0.03 -0.01 -0.04 -0.01 0.01 -0.08 -0.01 0.01 -0.03 0.01 -0.01 -0.03 -0.04 0.03 -0.01 0.01 -0.01 0.07 -0.03 0.03 0.10 -0.04 0.05 -0.05 -0.02 -0.11 -0.10 -0.02 -0.20 -0.01 -0.05 -0.08 -0.43 0.02 -0.15 0.15 -0.02 0.25 0.19 -0.17 -0.43 -0.01 0.01 -0.03 -0.03 0.02 -0.06 -0.03 0.03 -0.04 0.02 0.03 0.05 -0.04 0.03 -0.06 0.05 0.04 0.10 -0.01 0.02 -0.06 -0.01 0.02 -0.03 -0.02 0.01 -0.03 -0.03 0.03 -0.02 -0.02 0.00 -0.05 0.01 0.01 0.00 0.06 0.03 0.00 0.00 -0.02 0.01 -0.06 -0.05 0.02 0.01 -0.23 -0.15 0.09 0.13 0.07 -0.28 -0.07 0.11 0.06 -0.02 0.01 -0.08 0.06 -0.15 0.00 -0.13 0.20 0.30 0.01 -0.03 0.01 -0.01 0.01 0.02 0.01 0.00 0.01 0.03 -0.02 0.01 0.00 0.00 0.05 0.01 0.00 -0.04 -0.01 0.00 -0.05 0.00 -0.03 -0.04 -0.02 0.02 -0.07 -0.03 0.01 0.03 0.01 0.00 0.06 0.01 0.00 0.02 -0.01 0.01 0.02 0.03 -0.02 0.01 -0.01 0.01 0.00 0.04 0.01 0.00 0.04 0.02 0.01 0.02 0.03 0.03 0.02 0.06 -0.04 0.02 -0.01 -0.48 0.02 -0.03 0.12 0.10 0.36 0.16 -0.05 -0.34 0.05 0.02 0.02 0.04 0.05 -0.02 -0.03 0.08 -0.06 -0.04 0.04 0.02 -0.04 0.11 -0.09 -0.07 0.03 0.03 0.08 0.06 -0.05 0.01 0.01 -0.05 0.05 0.01 0.02 0.05 0.01 0.02 0.06 0.03 0.01 0.03 0.01 0.03 0.05 0.02 0.03 0.11 0.00 0.01 0.10 -0.04 -0.02 -0.01 0.19 0.33 -0.19 -0.34 -0.13 0.43 0.01 -0.22 0.17 0.00 0.02 0.28 0.00 0.13 0.24 0.01 -0.12 0.05 -0.01 0.04 -0.03 -0.02 0.02 -0.04 -0.03 0.01 -0.05 -0.03 -0.02 -0.07 -0.04 0.02 -0.03 -0.02 0.01 -0.10 -0.03 0.00 -0.11 -0.01 -0.06 -0.09 -0.04 0.03 -0.15 -0.05 0.02 -0.02 -0.01 0.01 0.00 -0.01 0.01 -0.02 -0.02 0.01 -0.02 0.01 0.00 -0.02 -0.01 0.00 -0.07 0.07 -0.04 -0.12 0.09 -0.08 0.02 0.01 0.05 0.04 -0.02 0.09 0.02 0.01 -0.05 -0.02 0.01 -0.05 0.04 0.01 -0.01 0.04 0.01 -0.08 0.01 -0.01 0.04 -0.01 -0.02 0.01 -0.05 -0.03 -0.04 0.00 -0.02 0.03 -0.08 -0.04 -0.08 0.01 -0.01 0.04 0.00 -0.01 0.02 0.00 -0.01 0.04 -0.03 -0.01 0.00 -0.07 -0.04 0.01 -0.02 0.02 -0.03 -0.05 0.00 -0.01 -0.10 -0.02 -0.01 0.01 0.01 -0.03 0.09 0.03 -0.08 -0.01 0.27 0.14 -0.10 -0.23 -0.14 0.39 0.06 -0.22 -0.09 0.00 0.00 -0.25 -0.04 -0.15 -0.19 0.00 0.20 0.05 0.02 -0.01 0.01 0.02 -0.02 0.02 0.01 -0.01 0.02 0.01 0.02 0.04 0.03 -0.02 -0.01 0.01 -0.02 0.07 0.03 0.00 0.08 0.00 0.05 0.07 0.03 -0.03 0.12 0.04 -0.02 -0.02 0.00 0.00 -0.05 0.00 0.00 -0.01 0.01 -0.02 -0.01 -0.02 0.02 0.01 0.00 0.00 -0.05 -0.03 -0.04 -0.09 -0.04 -0.08 0.03 -0.01 0.06 0.05 0.00 0.10 -0.07 -0.01 0.06 -0.39 -0.01 0.04 0.03 0.07 0.31 0.06 -0.09 -0.17 0.05 -0.01 -0.05 0.07 0.05 -0.05 0.07 0.12 0.02 -0.07 0.03 0.01 0.11 0.19 0.04 -0.14 0.01 0.02 0.06 0.04 -0.07 0.02 0.00 -0.01 0.16 -0.05 0.00 0.30 -0.08 -0.04 0.15 -0.09 0.14 0.13 -0.03 -0.06 0.14 -0.04 -0.09 0.01 -0.03 -0.03 0.01 -0.01 -0.01 0.04 -0.05 -0.09 0.08 0.05 0.01 -0.05 -0.03 0.04 -0.12 -0.05 0.02 -0.25 -0.13 -0.10 -0.21 -0.03 0.18 -0.04 -0.03 0.02 -0.03 0.06 0.01 -0.14 -0.03 0.00 -0.10 -0.14 -0.03 -0.19 -0.01 0.01 -0.22 -0.03 0.00 0.07 0.05 0.01 0.10 -0.04 0.02 0.14 0.10 0.02 0.06 0.09 0.01 0.00 0.05 0.00 -0.10 0.08 0.05 0.09 0.14 -0.05 0.04 -0.07 -0.02 -0.01 -0.02 0.00 0.00 0.11 0.06 -0.01 0.16 0.11 -0.04 -0.03 -0.03 -0.08 -0.10 -0.04 -0.05 0.02 0.11 -0.06 -0.07 0.15 -0.08 0.10 0.11 -0.09 0.03 0.16 0.03 -0.02 -0.02 0.05 0.01 -0.01 0.05 0.03 0.01 -0.02 -0.01 -0.01 0.07 0.06 0.03 -0.05 -0.01 -0.01 0.03 0.00 -0.01 0.02 0.00 0.03 0.10 -0.05 0.01 0.18 -0.07 -0.02 0.09 -0.06 0.10 0.07 -0.03 -0.04 0.07 -0.05 -0.06 0.00 -0.02 -0.03 0.02 0.00 -0.02 0.01 0.03 -0.02 0.02 0.00 -0.02 0.04 0.00 -0.01 -0.09 -0.03 0.00 -0.24 -0.07 -0.15 -0.19 -0.03 0.19 0.04 -0.01 -0.02 0.01 -0.10 -0.04 0.17 0.03 -0.01 0.12 0.16 0.08 0.27 0.03 -0.05 0.25 0.02 -0.04 -0.13 -0.09 -0.04 -0.17 0.05 -0.04 -0.24 -0.16 -0.06 -0.09 -0.15 -0.04 -0.11 -0.12 0.02 0.02 -0.19 -0.09 -0.27 -0.29 0.08 -0.16 0.08 0.11 -0.02 0.04 0.01 0.02 0.02 0.02 0.02 0.04 0.04 -0.01 -0.03 -0.02 -0.03 -0.05 -0.03 0.03 0.01 0.04 -0.01 0.00 0.04 0.04 0.02 0.07 0.04 0.01 0.02 -0.01 -0.02 0.01 0.00 -0.02 0.02 0.02 -0.03 0.04 -0.01 -0.03 -0.02 0.03 -0.03 0.05 -0.02 -0.03 -0.04 -0.01 -0.03 0.01 0.00 -0.02 -0.01 0.00 -0.01 0.02 0.01 -0.02 0.01 0.00 -0.01 0.03 -0.02 -0.01 0.01 -0.05 -0.03 0.00 0.00 0.02 -0.01 0.04 0.04 -0.01 0.00 0.13 0.05 -0.02 -0.04 -0.03 0.14 0.04 -0.05 -0.06 0.01 0.00 -0.14 0.00 -0.09 -0.11 0.02 0.10 0.03 0.02 -0.02 0.03 -0.02 0.11 -0.02 -0.04 0.08 -0.04 -0.01 -0.08 -0.12 -0.15 0.14 0.09 0.02 0.16 -0.16 -0.05 0.05 -0.18 -0.03 -0.21 -0.07 -0.05 0.18 -0.41 -0.07 0.14 0.22 0.05 0.00 0.37 0.07 0.02 0.28 0.04 0.08 0.19 0.08 -0.18 0.00 0.02 -0.04 0.02 -0.03 0.02 0.03 -0.03 0.03 -0.02 -0.02 -0.02 -0.03 -0.02 -0.04 0.00 -0.01 0.08 -0.05 -0.08 0.11 0.02 0.03 0.15 0.02 0.02 0.07 0.02 -0.01 -0.01 0.02 0.01 -0.01 0.02 0.03 0.00 -0.01 0.00 0.00 0.03 0.04 0.01 -0.03 0.00 0.00 0.03 0.01 -0.03 -0.02 -0.03 -0.01 0.04 -0.01 0.01 0.08 -0.01 0.00 0.04 0.01 0.06 0.00 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.01 0.01 0.00 -0.01 0.02 0.00 -0.03 0.00 0.02 -0.01 0.00 0.04 -0.01 0.00 0.14 -0.01 0.11 0.10 0.02 -0.13 -0.09 -0.02 0.02 0.06 0.01 -0.01 0.19 0.11 0.00 0.12 0.29 -0.03 0.23 0.02 0.02 0.37 0.14 0.04 0.18 0.01 0.01 0.19 -0.01 0.18 0.12 0.03 -0.09 0.34 0.03 -0.05 0.18 0.04 -0.06 0.33 0.04 -0.07 0.20 0.00 0.02 0.14 0.11 -0.20 -0.06 -0.01 0.01 0.01 0.02 0.01 0.01 0.03 0.03 0.00 -0.01 -0.01 -0.01 -0.03 -0.02 -0.06 -0.03 0.00 -0.08 -0.04 0.00 -0.06 0.01 0.01 -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.02 0.01 0.00 -0.03 -0.02 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.02 0.03 0.06 -0.14 0.27 0.15 0.18 -0.07 -0.24 -0.11 -0.11 0.03 0.00 -0.01 0.07 -0.16 -0.22 0.25 0.09 0.14 -0.22 0.09 0.06 0.00 0.02 -0.01 0.37 -0.08 -0.16 -0.24 -0.28 0.18 -0.15 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.01 -0.03 -0.02 -0.01 0.03 0.03 0.01 -0.01 -0.02 0.01 0.01 -0.06 -0.02 0.00 -0.09 0.02 -0.22 -0.21 -0.20 0.10 0.08 0.07 0.14 0.01 0.00 0.00 -0.03 0.17 0.30 -0.26 -0.08 -0.22 0.35 -0.10 -0.10 0.01 -0.01 0.00 0.34 -0.11 -0.15 -0.18 -0.27 0.19 -0.12 0.33 -0.04 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.03 0.00 0.00 0.01 0.00 -0.01 0.01 0.01 0.01 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.02 -0.02 0.00 0.03 -0.02 0.02 0.08 -0.03 0.00 0.03 -0.02 0.07 0.01 -0.02 0.00 0.00 -0.02 0.00 -0.02 -0.02 0.01 0.00 -0.01 0.00 0.01 -0.03 -0.03 0.03 0.01 0.02 -0.03 -0.02 0.02 0.00 -0.02 0.00 0.33 -0.08 0.34 0.18 0.11 -0.44 -0.43 -0.07 0.07 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.02 -0.03 -0.03 0.02 0.00 0.00 0.03 -0.03 -0.01 -0.02 -0.05 0.04 0.00 -0.08 -0.03 -0.05 0.00 -0.05 -0.02 -0.01 -0.03 0.01 -0.02 -0.04 -0.01 -0.02 -0.04 0.03 -0.01 -0.02 0.04 0.02 0.02 0.00 0.01 -0.01 0.01 0.02 -0.01 0.02 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.19 -0.01 0.02 -0.38 -0.04 0.02 -0.17 0.12 0.13 -0.16 -0.12 -0.09 0.05 0.03 0.07 0.06 0.03 0.08 0.01 0.01 0.01 -0.01 0.01 -0.02 0.00 0.01 0.00 -0.04 0.00 -0.06 0.04 0.02 0.09 0.02 0.00 0.07 -0.01 0.00 -0.04 -0.12 -0.05 -0.01 -0.01 0.00 -0.14 0.05 0.01 -0.06 0.06 0.01 -0.06 -0.02 -0.03 -0.04 -0.06 -0.05 -0.03 -0.02 -0.13 -0.11 0.01 0.03 -0.01 -0.15 -0.05 0.02 -0.02 -0.03 -0.02 0.02 -0.05 0.02 0.01 -0.03 -0.06 -0.05 -0.03 0.00 -0.01 0.00 -0.02 0.01 -0.02 0.04 -0.06 0.12 -0.28 -0.15 -0.38 0.18 0.28 0.16 0.31 0.01 0.03 0.03 0.05 -0.12 -0.17 0.22 0.09 0.22 -0.24 0.16 0.09 -0.02 -0.01 -0.02 0.01 -0.03 -0.04 -0.04 -0.05 0.01 -0.03 0.02 -0.01 0.00 0.00 0.00 -0.04 0.00 -0.07 -0.11 -0.02 -0.15 0.05 0.03 0.06 0.07 0.04 0.08 -0.01 0.00 -0.01 -0.02 0.05 -0.04 -0.02 -0.01 -0.03 -0.02 -0.05 -0.03 0.05 0.02 0.06 0.05 0.02 0.07 0.02 0.01 0.02 -0.01 0.01 -0.02 0.01 0.00 0.01 -0.04 0.00 -0.07 0.03 0.02 0.08 0.02 0.00 0.04 -0.01 0.00 -0.03 -0.12 -0.04 0.00 -0.01 0.00 -0.13 0.04 0.01 -0.05 0.05 0.01 -0.05 -0.02 -0.02 -0.03 -0.05 -0.04 -0.03 -0.02 -0.10 -0.09 0.01 0.03 -0.01 -0.12 -0.04 0.01 -0.02 -0.03 -0.01 0.01 -0.04 0.01 0.00 -0.03 -0.04 -0.04 -0.02 0.00 0.00 0.00 0.03 -0.02 0.01 -0.01 0.07 -0.15 0.33 0.17 0.34 -0.15 -0.31 -0.16 -0.26 -0.04 -0.02 -0.01 -0.09 0.17 0.21 -0.29 -0.11 -0.20 0.23 -0.16 -0.08 0.06 0.01 0.01 0.04 0.04 0.04 0.12 0.06 0.00 0.07 -0.04 -0.04 -0.01 0.00 -0.01 -0.04 0.00 -0.06 -0.09 -0.02 -0.13 0.05 0.02 0.05 0.06 0.03 0.07 0.00 0.00 0.00 -0.01 0.03 -0.01 -0.01 0.00 -0.02 -0.01 -0.03 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.01 0.01 0.00 0.01 -0.01 0.00 0.01 0.01 0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.02 0.01 -0.01 -0.05 0.03 0.00 -0.02 0.00 -0.05 0.00 0.00 0.01 0.01 0.01 0.02 0.01 0.00 0.01 0.01 0.01 0.02 0.01 0.00 0.02 0.00 0.01 0.02 0.01 0.00 0.02 0.01 0.00 0.00 -0.05 0.02 -0.06 -0.03 0.00 0.07 0.07 0.00 -0.02 -0.04 0.11 -0.01 0.01 0.06 0.15 0.02 0.04 0.24 0.14 -0.04 0.13 -0.07 0.11 0.24 -0.02 0.02 -0.16 -0.02 0.00 -0.25 -0.01 0.10 -0.26 -0.06 -0.14 -0.12 0.07 -0.20 0.02 -0.06 -0.36 -0.20 0.25 -0.21 0.24 0.14 -0.38 0.04 0.00 -0.01 0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.05 -0.01 0.00 -0.03 -0.01 -0.05 -0.04 0.00 0.05 0.02 0.00 0.02 0.02 0.00 0.02 0.01 0.00 0.01 -0.01 0.00 -0.01 0.01 0.01 0.01 -0.03 -0.01 -0.03 0.01 0.00 0.00 0.00 -0.01 -0.03 -0.03 0.00 -0.03 -0.13 0.02 0.00 -0.03 0.00 -0.12 0.01 -0.01 0.01 0.02 0.01 0.02 0.02 -0.01 0.01 0.01 0.00 0.03 0.01 -0.01 0.02 0.01 0.03 0.03 0.00 -0.01 0.05 0.00 -0.01 -0.02 -0.06 0.01 -0.07 -0.03 0.00 0.04 0.05 -0.02 -0.05 0.01 0.01 0.10 -0.04 0.12 -0.13 -0.09 0.22 -0.33 -0.25 0.18 -0.08 0.19 0.06 -0.23 0.07 -0.13 -0.11 0.11 -0.29 -0.30 0.22 0.05 -0.21 -0.06 -0.30 -0.04 -0.03 0.01 0.12 -0.01 -0.02 0.09 -0.10 -0.04 0.12 -0.05 0.07 0.17 0.00 0.00 0.00 -0.01 0.00 -0.02 -0.03 -0.01 -0.04 0.02 0.00 0.01 0.01 0.00 0.01 -0.04 -0.01 0.01 0.02 -0.05 0.04 -0.08 0.03 -0.04 -0.09 0.00 0.09 0.01 -0.01 -0.01 0.02 0.01 0.00 0.01 0.01 -0.02 0.01 0.00 0.00 0.00 0.01 -0.02 0.01 0.00 0.00 0.04 0.02 -0.01 0.00 -0.01 -0.02 -0.08 0.00 -0.07 -0.28 0.09 -0.01 -0.08 -0.02 -0.28 0.03 -0.05 0.06 0.06 0.01 0.12 0.08 -0.06 0.06 0.07 0.01 0.13 0.06 0.03 0.13 0.05 0.07 0.12 0.08 -0.01 0.19 0.00 -0.02 -0.08 -0.19 0.06 -0.28 -0.12 0.03 0.13 0.18 -0.11 -0.21 0.01 -0.02 -0.03 0.02 -0.04 0.02 0.03 -0.06 0.06 0.06 -0.05 0.01 -0.03 -0.03 0.03 -0.02 0.03 0.04 -0.03 0.08 0.10 -0.06 -0.03 0.08 0.01 0.09 0.02 -0.01 0.02 -0.03 0.00 0.04 0.00 -0.01 0.03 -0.06 -0.01 0.02 -0.04 0.00 0.01 0.00 0.00 0.01 -0.02 -0.01 0.01 -0.03 0.02 -0.01 -0.01 0.01 0.00 -0.01 -0.15 0.00 -0.01 0.08 -0.03 0.02 -0.30 0.09 -0.25 -0.34 -0.04 0.23 -0.01 0.02 0.04 -0.02 0.01 0.03 0.00 -0.03 0.02 0.03 0.00 -0.03 -0.01 -0.06 0.03 0.04 0.00 -0.05 -0.02 0.03 0.03 -0.04 0.02 0.00 0.08 0.00 0.11 0.31 -0.09 0.05 0.08 0.03 0.36 -0.06 0.01 0.00 -0.08 -0.02 -0.03 -0.01 0.00 -0.02 -0.03 -0.10 -0.10 -0.03 -0.13 -0.06 -0.04 -0.17 -0.09 -0.05 -0.07 -0.17 0.08 0.00 -0.01 -0.11 0.11 -0.22 0.00 -0.14 0.24 0.38 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.01 0.00 0.00 0.03 -0.02 0.00 0.05 -0.04 -0.01 0.00 0.03 0.00 0.01 0.06 -0.01 -0.12 0.02 -0.03 0.11 0.03 -0.02 -0.24 0.05 -0.26 -0.28 0.01 0.18 -0.09 0.02 -0.08 -0.06 0.04 -0.04 -0.07 -0.02 -0.11 0.11 0.03 0.06 -0.11 -0.07 -0.13 0.23 0.06 0.18 0.07 0.10 0.17 0.06 0.12 0.25 0.05 -0.05 0.02 0.24 -0.02 -0.03 0.03 -0.09 0.21 0.01 -0.08 0.03 0.00 -0.07 0.05 0.00 -0.08 0.03 0.06 -0.02 0.06 0.04 0.07 0.06 0.04 -0.04 0.05 0.14 -0.03 0.07 -0.05 -0.05 -0.12 -0.01 0.02 -0.08 -0.04 0.07 -0.22 -0.14 -0.17 -0.20 0.00 0.01 0.03 -0.02 0.02 -0.01 -0.02 0.02 -0.04 -0.06 0.04 0.00 -0.01 0.01 -0.03 0.00 -0.02 -0.01 0.01 -0.04 -0.05 0.02 0.01 -0.05 -0.01 -0.07 0.00 0.02 0.00 0.03 0.04 0.00 0.02 0.04 0.01 0.05 0.02 0.00 0.00 -0.01 -0.01 -0.01 0.06 0.01 0.00 0.12 0.01 0.05 -0.04 0.03 -0.08 -0.03 0.08 -0.10 0.05 0.10 -0.05 -0.04 0.36 -0.19 0.06 0.01 -0.08 0.08 -0.09 -0.21 0.00 -0.04 -0.10 0.03 -0.05 -0.05 -0.06 0.00 -0.09 -0.01 0.00 0.12 -0.08 0.07 -0.16 0.04 0.02 0.24 0.07 -0.06 0.10 0.03 -0.11 0.18 0.01 0.04 -0.06 -0.02 0.10 -0.06 0.00 0.02 -0.11 0.07 0.08 -0.04 0.03 0.06 -0.06 0.06 0.11 -0.04 -0.06 0.05 -0.04 -0.04 -0.07 0.02 -0.10 0.08 -0.06 -0.16 0.05 -0.05 0.07 0.07 0.13 -0.01 -0.05 0.07 0.02 -0.03 0.28 0.15 0.21 0.23 0.05 0.01 0.01 0.01 -0.03 -0.02 0.02 -0.07 -0.06 -0.05 -0.02 0.00 -0.01 -0.03 -0.02 -0.02 0.01 -0.01 -0.04 0.07 -0.05 -0.05 -0.02 0.00 -0.04 -0.03 0.01 0.01 0.01 0.04 -0.01 0.01 0.03 -0.03 0.00 0.02 0.00 0.03 0.08 0.00 0.01 -0.01 -0.06 0.02 0.05 -0.05 0.06 0.10 -0.07 -0.07 -0.04 -0.10 -0.15 -0.04 -0.08 -0.15 -0.04 0.07 0.03 -0.12 -0.18 -0.18 -0.27 -0.21 -0.29 0.05 0.00 0.00 0.02 -0.01 0.01 0.01 0.01 0.00 0.02 0.00 0.00 -0.02 0.02 -0.01 0.04 -0.01 -0.01 -0.05 -0.01 0.01 -0.03 0.00 0.02 -0.04 0.00 -0.01 0.01 0.00 -0.02 0.01 0.00 0.00 0.02 -0.02 -0.02 0.01 -0.01 -0.01 0.01 -0.01 -0.02 0.01 0.01 -0.01 0.01 0.01 0.01 -0.01 0.02 -0.02 0.01 0.03 -0.01 0.01 -0.01 -0.01 -0.02 0.01 0.01 -0.01 0.00 0.00 -0.05 -0.03 -0.04 -0.04 0.24 0.09 -0.02 0.03 -0.14 -0.06 0.13 -0.38 -0.22 -0.17 -0.14 0.00 -0.14 -0.10 0.01 -0.05 0.12 -0.07 -0.14 0.37 -0.22 -0.19 -0.03 -0.02 -0.14 0.00 -0.02 -0.01 0.01 0.14 -0.15 -0.05 0.06 -0.18 -0.07 0.07 0.02 0.07 0.45 -0.03 -0.01 0.00 0.01 0.00 -0.01 0.01 -0.01 -0.02 0.02 0.01 0.01 0.02 0.03 0.01 0.02 0.03 0.01 -0.02 -0.01 0.02 0.04 0.04 0.05 0.04 0.05 -0.01 -0.01 -0.07 0.05 0.00 0.01 0.02 0.02 -0.07 -0.02 0.04 -0.13 0.00 -0.01 -0.14 -0.02 0.03 -0.13 -0.02 0.10 0.11 -0.04 0.10 0.15 -0.04 -0.05 -0.10 -0.01 -0.13 -0.14 0.01 -0.05 -0.10 -0.09 -0.01 -0.03 -0.07 0.01 -0.07 -0.13 0.05 0.06 -0.09 -0.04 0.13 0.01 -0.05 0.11 0.08 -0.13 0.26 -0.05 -0.05 0.09 0.13 0.06 -0.02 0.15 0.06 -0.24 0.18 0.05 -0.13 0.23 0.04 0.20 0.34 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.06 -0.08 0.00 0.04 -0.06 0.01 -0.01 -0.09 0.00 -0.03 -0.05 -0.06 -0.04 0.21 -0.01 -0.06 0.16 0.01 -0.09 0.34 -0.04 -0.11 0.13 0.04 0.04 -0.04 -0.06 -0.02 -0.02 -0.15 0.14 0.06 0.08 -0.09 -0.04 -0.09 0.29 0.13 0.24 -0.21 -0.07 -0.16 -0.15 -0.04 -0.14 -0.05 0.06 0.29 0.00 0.00 -0.03 0.03 0.02 -0.04 0.02 0.07 -0.01 -0.10 -0.03 0.02 -0.12 -0.02 0.04 0.00 -0.02 -0.01 0.01 0.04 0.04 0.00 0.09 0.06 -0.02 0.10 0.02 0.05 0.02 0.10 0.04 -0.03 0.03 0.03 -0.04 0.02 0.04 -0.09 0.06 0.07 0.02 0.06 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.02 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.02 0.00 0.01 0.00 0.01 0.02 0.00 0.01 0.02 0.01 0.01 0.01 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.02 -0.02 -0.04 0.06 0.00 0.12 -0.04 0.12 0.23 -0.05 0.30 -0.02 0.04 -0.04 0.02 0.36 -0.20 -0.03 -0.14 -0.18 -0.03 -0.13 -0.14 -0.06 0.06 -0.01 -0.02 0.03 0.05 -0.03 0.03 0.03 0.04 0.09 -0.01 -0.04 0.00 0.03 0.09 0.10 0.01 -0.03 -0.01 0.04 -0.09 -0.07 -0.02 0.02 -0.05 -0.02 0.20 -0.15 -0.07 0.01 -0.06 0.20 -0.06 -0.06 -0.10 -0.08 -0.06 -0.09 -0.01 -0.08 -0.10 0.02 0.14 0.09 -0.03 0.31 0.13 -0.08 0.34 0.02 0.16 0.06 0.34 0.07 -0.15 0.05 0.06 -0.24 0.06 0.07 -0.31 0.13 0.13 0.02 0.18 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.04 -0.04 0.00 -0.01 -0.09 0.00 0.10 -0.02 0.02 0.14 -0.02 -0.01 -0.10 0.01 0.04 -0.13 0.03 0.02 -0.15 0.02 0.02 0.00 0.03 0.18 0.03 0.21 0.06 0.02 0.04 -0.08 0.00 -0.14 -0.03 0.00 -0.03 -0.27 -0.04 -0.38 -0.14 -0.03 -0.14 -0.09 -0.02 -0.10 -0.06 0.01 0.10 0.01 0.01 0.02 -0.27 -0.11 0.09 0.04 0.11 -0.23 -0.01 0.00 -0.02 0.03 0.01 -0.03 -0.09 -0.05 0.00 0.01 0.02 0.01 -0.01 0.14 -0.08 0.06 0.01 0.04 0.11 0.00 0.06 0.02 -0.05 -0.01 0.04 0.05 0.00 0.06 -0.15 -0.01 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.05 0.11 0.14 0.08 0.18 -0.06 -0.03 -0.09 -0.25 -0.09 -0.35 0.00 0.00 -0.01 0.03 0.12 -0.06 0.01 -0.11 -0.05 0.02 -0.02 -0.05 -0.02 0.03 0.08 -0.05 0.01 0.02 -0.06 0.00 0.02 0.01 0.04 -0.05 -0.09 -0.04 -0.01 -0.01 0.03 -0.11 0.04 0.00 -0.13 0.01 -0.03 0.07 -0.04 0.00 0.08 -0.04 -0.06 0.07 -0.04 0.01 0.09 -0.05 0.00 0.02 -0.06 -0.01 0.01 0.27 0.05 -0.09 -0.03 -0.05 0.00 0.02 -0.38 0.23 -0.22 0.14 -0.11 -0.31 -0.05 0.05 -0.05 -0.01 -0.04 -0.11 -0.37 -0.05 -0.17 0.29 0.02 -0.32 -0.04 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.02 0.02 0.09 -0.02 0.02 0.00 0.05 -0.01 -0.01 0.10 -0.06 0.02 -0.05 0.01 -0.02 0.02 -0.03 0.03 -0.09 0.02 0.04 -0.09 -0.05 -0.12 0.02 0.06 -0.15 0.01 -0.03 -0.06 -0.01 0.06 0.01 0.02 -0.10 -0.03 -0.08 0.15 0.01 0.02 -0.16 0.13 0.05 -0.15 0.01 -0.05 0.09 -0.05 -0.11 0.04 -0.16 -0.08 0.07 -0.09 -0.30 -0.08 0.19 -0.02 -0.04 0.44 -0.02 -0.15 -0.11 0.02 0.07 0.01 0.01 -0.03 -0.01 0.17 -0.18 0.15 -0.18 0.05 0.14 0.05 -0.16 0.01 0.07 0.04 0.04 0.20 0.05 0.06 -0.05 0.02 0.10 0.07 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.01 0.17 -0.05 0.05 0.02 0.09 0.04 0.10 0.21 0.08 -0.01 -0.09 0.00 0.02 0.00 -0.04 -0.03 -0.12 -0.06 -0.04 -0.14 0.01 0.05 0.11 -0.01 -0.09 -0.12 -0.10 -0.07 -0.12 0.01 -0.14 0.03 -0.07 -0.02 -0.04 0.03 -0.12 0.03 -0.27 0.13 -0.06 0.02 0.23 0.01 -0.03 0.07 0.18 -0.04 0.17 0.10 -0.06 0.08 0.26 0.08 -0.02 0.13 -0.07 -0.04 0.20 0.03 -0.03 -0.07 -0.03 0.02 0.02 0.04 -0.01 0.14 0.03 -0.01 0.12 0.02 0.11 -0.02 0.18 0.01 -0.12 -0.05 0.02 -0.07 -0.05 0.02 -0.14 -0.06 0.04 -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.02 -0.11 0.19 0.13 -0.13 0.31 -0.01 0.10 0.10 0.02 0.03 0.20 0.00 0.01 0.00 -0.07 -0.03 0.01 -0.09 0.25 -0.04 -0.11 -0.15 0.05 0.03 -0.05 0.04 -0.11 0.00 -0.20 -0.03 0.07 -0.13 -0.09 -0.03 -0.16 0.08 0.10 0.00 -0.24 -0.06 -0.20 0.00 0.05 0.33 -0.07 -0.03 -0.11 -0.03 -0.08 0.03 -0.20 -0.08 0.08 -0.03 -0.06 -0.13 -0.01 -0.08 0.03 -0.15 -0.15 0.00 0.04 0.03 -0.03 -0.01 0.01 -0.03 0.00 -0.07 0.04 -0.07 0.02 -0.05 -0.08 0.02 -0.05 0.00 0.03 0.02 -0.01 -0.05 0.02 -0.01 0.03 0.04 -0.02 0.07 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.13 0.08 0.32 0.21 0.34 0.12 -0.03 0.07 0.22 0.02 0.20 0.00 -0.03 0.00 0.02 -0.15 0.06 0.04 -0.04 0.06 0.04 0.10 0.03 0.03 -0.08 0.00 0.02 -0.14 0.04 -0.13 0.10 0.10 0.04 0.22 -0.04 -0.13 0.17 0.06 -0.07 0.20 0.09 -0.05 -0.22 0.00 0.33 0.04 -0.01 -0.06 -0.08 0.07 -0.10 -0.07 0.08 -0.06 -0.09 0.01 -0.04 -0.09 0.06 -0.27 -0.18 0.05 -0.06 0.01 -0.01 -0.02 0.02 -0.04 -0.02 0.01 -0.06 0.00 -0.02 -0.02 -0.03 0.02 -0.05 0.01 0.02 0.03 0.04 0.09 0.05 0.05 -0.07 0.00 0.06 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.01 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.02 0.18 -0.05 0.07 0.02 -0.14 0.15 -0.01 -0.15 0.14 -0.05 -0.15 -0.01 0.05 -0.01 -0.11 0.02 0.00 -0.14 0.36 -0.08 -0.17 -0.21 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.15 0.06 -0.01 -0.14 0.19 0.11 -0.08 0.03 0.03 -0.25 0.19 0.15 -0.26 0.20 0.13 0.01 -0.22 0.15 -0.04 -0.08 0.04 -0.07 -0.30 0.17 -0.07 -0.29 0.19 -0.08 -0.05 -0.25 -0.19 -0.08 -0.28 -0.17 -0.09 -0.29 -0.06 -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.05 -0.10 0.05 -0.05 0.00 -0.06 0.01 0.09 0.02 0.05 -0.11 0.02 0.10 0.06 0.16 0.00 -0.12 0.26 0.01 0.01 0.02 0.02 -0.01 0.00 -0.15 0.14 0.22 -0.03 0.02 0.19 -0.14 0.19 0.29 0.06 0.24 -0.07 0.30 0.31 -0.10 -0.02 -0.05 -0.02 0.00 0.02 0.01 -0.03 0.18 -0.06 0.03 0.09 0.01 0.13 -0.02 0.12 0.01 -0.15 -0.07 -0.01 -0.15 -0.08 -0.02 -0.09 -0.06 -0.02 -0.19 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.10 -0.11 0.03 0.16 -0.02 0.04 -0.16 -0.06 0.10 -0.09 -0.01 0.01 -0.03 0.00 0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 -0.04 0.01 -0.12 -0.07 -0.14 0.10 0.02 0.18 -0.11 0.01 -0.02 -0.04 -0.05 -0.07 -0.41 -0.11 -0.36 -0.32 -0.12 -0.26 -0.01 0.00 -0.03 -0.02 0.00 0.01 -0.04 0.02 -0.07 0.34 0.05 -0.18 -0.06 -0.02 0.30 0.00 0.06 -0.04 0.06 0.11 -0.01 0.00 0.00 0.01 0.02 -0.03 0.04 0.02 -0.02 0.02 0.04 -0.03 0.05 0.03 -0.03 0.04 0.00 0.03 0.01 -0.01 0.05 0.00 -0.01 0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.06 0.09 -0.06 0.00 -0.15 0.13 -0.06 0.08 0.11 -0.07 0.04 0.00 0.01 0.00 0.01 0.01 0.00 0.01 -0.01 0.01 0.01 0.04 0.00 -0.12 0.08 0.00 0.09 0.12 0.00 0.21 0.05 -0.18 0.00 -0.12 0.01 0.07 0.00 -0.36 -0.01 -0.12 -0.18 -0.07 -0.11 -0.02 0.23 0.01 -0.01 -0.10 -0.04 0.08 -0.01 -0.02 0.05 -0.13 -0.15 0.16 -0.01 -0.03 0.04 -0.23 -0.10 0.06 -0.03 -0.01 -0.01 -0.01 0.01 -0.02 -0.01 0.00 -0.02 -0.01 0.01 -0.02 -0.01 0.01 0.00 0.00 -0.01 0.00 0.02 0.04 0.02 0.02 -0.06 -0.02 0.04 0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.02 -0.01 0.01 -0.01 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 -0.01 -0.02 0.01 -0.01 -0.02 0.02 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.10 0.05 -0.03 -0.19 0.26 -0.08 -0.17 0.11 0.15 -0.17 0.25 0.07 0.02 -0.11 0.01 -0.06 -0.15 0.02 -0.07 0.11 -0.03 -0.09 -0.28 0.06 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.01 0.00 0.01 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.18 -0.05 0.16 -0.14 -0.14 0.22 -0.26 -0.10 0.22 -0.28 -0.13 0.02 -0.06 0.01 -0.04 -0.26 0.18 0.00 -0.39 0.22 0.02 -0.16 0.09 0.02 -0.30 0.17 0.01 0.06 0.05 -0.06 -0.10 -0.17 0.13 0.01 0.29 0.06 -0.06 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 -0.01 -0.01 0.01 -0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.20 0.16 -0.15 -0.06 0.16 -0.18 -0.19 -0.03 0.02 -0.04 0.21 -0.25 -0.22 0.00 0.12 -0.02 0.01 0.08 -0.15 0.01 0.24 -0.22 -0.01 -0.15 0.03 -0.15 -0.07 -0.28 -0.10 -0.08 -0.31 -0.06 -0.05 -0.21 -0.16 -0.12 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.03 -0.09 -0.02 -0.10 0.04 0.02 0.07 0.06 0.01 0.07 -0.17 -0.04 -0.19 -0.33 -0.09 -0.41 0.01 0.01 0.04 0.00 0.00 -0.01 0.00 0.00 -0.01 0.03 -0.03 -0.02 0.00 0.01 0.03 0.00 0.01 -0.02 -0.01 0.01 -0.01 0.00 0.00 0.00 0.01 -0.01 0.01 0.01 -0.01 0.02 0.00 -0.01 0.01 0.01 -0.01 0.01 0.00 0.01 0.00 0.00 0.02 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.02 -0.38 -0.09 -0.49 0.02 0.00 0.01 -0.26 -0.06 -0.37 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.02 -0.01 -0.10 0.05 -0.01 0.02 0.02 -0.03 -0.01 -0.02 0.06 0.00 -0.12 -0.01 -0.22 -0.10 0.04 -0.17 0.02 0.02 0.00 -0.05 -0.01 0.00 0.01 0.04 0.11 -0.19 0.36 0.17 -0.01 -0.05 -0.17 0.07 -0.08 0.17 0.24 -0.07 0.11 0.03 0.02 0.04 -0.11 0.15 -0.16 -0.11 0.17 -0.20 -0.06 0.10 -0.13 -0.09 0.18 -0.24 0.03 -0.17 -0.05 0.01 -0.27 -0.06 -0.01 -0.14 -0.01 -0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.08 -0.17 -0.10 -0.16 0.04 0.02 0.00 0.03 -0.04 0.03 -0.01 0.03 0.00 0.01 0.05 -0.01 0.02 -0.04 0.01 0.02 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.02 0.06 -0.03 0.06 -0.15 -0.25 0.30 0.07 0.19 -0.21 -0.25 0.01 -0.04 -0.05 -0.02 0.09 0.14 -0.02 -0.25 0.29 -0.01 0.37 -0.12 -0.02 0.06 0.00 -0.10 -0.18 -0.33 0.17 -0.02 0.35 0.06 -0.16 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.02 -0.05 0.12 -0.06 -0.05 0.13 -0.07 -0.10 -0.05 0.19 0.00 0.16 0.14 -0.20 0.03 0.21 -0.12 0.01 -0.01 0.02 -0.05 -0.02 0.00 -0.18 -0.09 0.14 -0.02 -0.27 0.09 -0.18 -0.08 0.29 -0.03 0.03 -0.08 0.43 0.04 -0.26 0.00 0.00 -0.03 0.03 -0.07 0.07 0.01 0.04 -0.03 0.10 -0.08 0.10 0.13 -0.09 0.10 0.01 0.06 0.01 -0.03 -0.06 -0.01 -0.04 0.14 0.06 -0.08 0.09 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 -0.09 0.10 -0.11 -0.11 0.05 0.04 0.06 -0.03 0.02 -0.07 0.02 -0.01 0.07 0.00 0.02 0.10 -0.01 0.02 -0.01 0.00 0.02 0.11 -0.03 -0.01 0.00 0.00 0.02 0.00 0.02 -0.05 -0.01 -0.07 0.03 0.00 0.04 0.33 0.09 0.40 -0.18 -0.05 -0.23 -0.01 -0.01 0.00 0.01 0.00 0.00 -0.02 0.00 -0.03 0.12 0.02 -0.07 -0.03 -0.01 0.12 0.00 -0.01 0.03 0.15 0.04 0.02 0.01 0.00 0.02 -0.02 0.02 -0.02 -0.02 0.04 -0.06 0.02 -0.02 0.01 0.00 0.03 -0.05 0.01 -0.01 0.00 -0.01 -0.06 -0.02 -0.02 0.05 0.02 -0.03 -0.03 -0.01 0.00 -0.01 0.00 0.01 0.02 0.00 0.05 -0.08 -0.03 -0.05 -0.01 0.02 -0.08 0.03 0.03 -0.03 0.00 0.00 0.02 -0.12 0.07 0.05 0.08 -0.03 0.05 0.05 -0.04 0.00 0.01 0.00 -0.02 -0.02 -0.04 0.00 -0.01 0.02 0.01 -0.01 0.03 0.00 0.00 0.00 -0.03 0.00 -0.04 0.21 0.06 0.26 0.05 0.01 0.08 -0.35 -0.08 -0.48 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.02 0.01 0.00 0.01 0.08 0.02 0.10 -0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.03 0.00 -0.02 -0.01 0.00 0.03 0.00 0.00 0.01 0.04 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 -0.02 0.01 -0.01 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 0.01 -0.01 -0.01 0.00 -0.01 0.03 -0.02 -0.04 -0.06 0.01 -0.18 0.29 0.11 0.14 0.05 -0.08 0.28 -0.12 -0.12 0.10 -0.01 0.02 -0.07 0.46 -0.30 -0.20 -0.30 0.11 -0.21 -0.20 0.16 -0.02 -0.03 0.02 0.13 0.08 0.17 0.03 0.06 -0.06 -0.06 0.04 -0.17 0.00 0.00 0.00 -0.01 0.00 -0.01 0.05 0.01 0.07 0.01 0.00 0.02 -0.09 -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.03 -0.05 -0.05 -0.03 -0.19 0.30 0.23 0.30 -0.11 -0.13 0.22 -0.02 0.01 -0.01 -0.01 -0.03 0.00 -0.04 0.12 0.03 -0.04 0.09 0.04 0.18 -0.08 0.08 0.02 -0.06 -0.29 -0.06 -0.15 -0.28 -0.16 -0.21 0.12 0.11 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.01 0.03 0.02 0.02 -0.03 -0.01 0.00 0.00 0.02 0.03 -0.01 -0.03 -0.01 -0.12 -0.05 -0.09 0.07 -0.01 0.12 -0.03 -0.03 0.03 0.03 0.01 -0.01 0.02 -0.01 -0.07 0.11 -0.05 -0.10 0.04 0.10 0.05 -0.08 -0.03 0.03 0.66 0.14 -0.10 0.03 0.00 0.01 -0.06 0.01 0.01 -0.07 0.19 -0.23 0.17 -0.12 0.13 0.12 0.03 -0.08 0.06 0.02 -0.01 -0.07 -0.28 -0.09 -0.09 0.26 0.13 -0.17 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.03 0.03 -0.02 -0.01 0.03 -0.05 -0.04 0.00 0.00 0.05 0.04 0.11 0.01 -0.01 0.00 -0.03 -0.04 0.01 -0.02 0.05 -0.01 -0.03 -0.05 0.03 -0.02 0.00 -0.04 0.02 0.01 0.04 -0.08 -0.01 -0.07 0.04 -0.01 0.05 0.32 0.08 0.44 -0.22 -0.08 -0.29 -0.01 -0.01 -0.01 0.01 0.01 0.00 0.06 0.03 0.06 -0.20 0.12 0.14 0.08 0.06 -0.24 -0.03 -0.02 -0.02 0.10 -0.07 -0.14 -0.02 0.01 -0.04 0.01 -0.04 0.05 0.01 0.00 -0.02 0.07 -0.08 0.08 0.07 -0.04 0.04 0.00 0.03 -0.04 0.02 -0.16 0.01 -0.02 -0.07 0.06 -0.03 0.20 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.01 0.04 -0.20 -0.05 -0.26 -0.04 0.00 -0.04 0.19 0.07 0.28 0.00 -0.01 0.00 -0.01 -0.03 0.01 0.00 0.02 0.01 -0.01 -0.01 0.01 -0.02 0.00 -0.05 -0.01 0.01 0.00 0.03 0.01 0.05 -0.02 -0.02 -0.02 -0.23 -0.07 -0.26 0.08 0.01 0.11 -0.01 0.01 0.00 0.01 0.02 0.00 0.04 0.05 0.06 -0.14 0.19 0.11 0.04 0.06 -0.16 -0.01 -0.04 -0.01 0.08 -0.11 -0.14 -0.04 0.04 -0.05 0.03 -0.03 0.08 0.07 -0.13 0.02 0.08 -0.22 0.12 -0.01 0.02 -0.09 -0.01 0.01 -0.08 0.07 -0.27 0.04 0.00 -0.28 0.07 0.00 0.37 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.03 -0.01 -0.04 0.19 0.04 0.23 0.04 0.01 0.05 -0.20 -0.06 -0.28 0.00 -0.02 0.00 -0.01 -0.04 0.01 0.00 -0.01 0.00 -0.01 -0.02 0.01 0.01 -0.02 -0.02 -0.03 0.15 0.01 0.02 -0.02 -0.01 -0.01 0.05 0.01 -0.01 -0.04 -0.02 -0.07 0.03 -0.04 -0.10 0.18 -0.01 0.10 0.23 0.01 0.01 0.00 0.02 -0.04 0.03 0.03 0.03 0.06 -0.05 -0.02 -0.03 0.01 0.01 -0.04 -0.01 0.01 -0.05 -0.02 -0.03 -0.03 -0.03 -0.07 0.18 -0.07 0.01 0.16 -0.04 0.12 -0.10 0.19 0.02 0.04 0.04 -0.05 0.08 -0.03 -0.02 0.22 0.01 -0.04 -0.08 -0.05 -0.02 -0.01 0.00 0.02 0.02 0.00 0.06 -0.08 -0.04 -0.05 -0.01 0.03 -0.07 0.02 0.01 0.03 0.01 0.01 -0.01 0.11 -0.09 -0.05 -0.04 -0.01 -0.05 -0.07 0.05 0.02 0.02 -0.01 -0.08 -0.03 -0.07 -0.04 -0.04 0.01 0.04 0.01 0.13 0.00 0.00 0.00 -0.09 -0.11 0.07 0.00 -0.13 0.14 0.13 -0.07 -0.08 0.12 -0.15 -0.06 0.01 -0.27 -0.02 -0.04 -0.50 0.09 0.00 -0.08 0.08 -0.06 -0.21 0.13 -0.04 0.00 -0.06 0.01 -0.02 0.01 0.00 0.01 0.03 0.00 -0.02 0.00 -0.11 -0.03 -0.10 0.00 -0.02 -0.01 0.02 -0.03 0.00 -0.02 -0.04 0.00 0.07 0.02 0.08 -0.23 0.15 0.16 0.07 0.01 -0.25 -0.01 -0.01 -0.03 -0.05 -0.08 -0.09 0.01 -0.07 -0.04 -0.03 -0.08 -0.05 -0.12 0.32 -0.08 -0.02 0.33 -0.09 0.24 -0.22 0.39 0.03 0.07 0.07 -0.08 0.12 -0.05 -0.03 0.34 0.01 -0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.01 0.01 0.00 -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 -0.02 0.02 0.01 0.01 0.00 0.01 0.02 -0.01 0.00 0.00 0.00 0.02 0.01 0.02 0.01 0.01 0.00 -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 0.02 -0.04 0.12 0.05 0.11 -0.01 0.02 0.05 -0.13 0.01 -0.13 0.00 0.04 0.00 0.01 0.08 -0.02 0.00 0.01 -0.01 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.05 -0.02 0.04 -0.03 0.08 0.03 -0.02 -0.19 -0.25 0.28 0.09 0.14 -0.21 -0.22 -0.04 -0.03 -0.03 0.01 -0.18 0.19 0.06 -0.01 0.08 0.06 0.19 -0.10 0.04 -0.11 0.01 0.11 0.20 0.44 -0.20 0.01 -0.45 -0.07 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.02 0.05 0.00 0.04 -0.08 0.08 -0.13 0.11 0.19 -0.28 -0.07 -0.21 0.22 0.24 0.02 -0.06 -0.10 -0.03 0.13 0.18 0.00 -0.33 0.36 -0.03 0.46 -0.17 -0.04 -0.04 0.01 0.14 0.07 0.16 0.05 0.07 -0.06 -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.01 -0.03 -0.06 -0.02 -0.08 0.18 0.05 0.23 0.39 0.10 0.50 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.01 -0.02 0.02 0.02 0.00 0.01 -0.02 0.00 -0.01 0.00 -0.01 -0.02 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.01 0.03 -0.01 0.01 0.01 0.00 0.02 -0.02 0.03 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.01 0.01 -0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.05 0.01 0.07 -0.34 -0.09 -0.42 0.04 0.01 0.05 -0.23 -0.05 -0.33 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.02 0.00 -0.01 -0.02 0.01 0.00 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.03 0.01 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.01 -0.02 0.02 -0.02 0.01 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.03 0.01 0.01 -0.02 -0.01 0.01 0.00 0.00 0.07 0.02 -0.01 -0.08 -0.06 0.00 -0.25 0.36 0.21 0.24 0.00 -0.12 0.28 -0.06 -0.04 -0.09 0.00 0.01 0.04 -0.36 0.19 0.14 0.24 -0.10 0.16 0.05 -0.09 -0.08 -0.01 0.03 0.19 0.01 0.04 0.20 0.12 0.16 -0.10 -0.10 -0.37 0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 -0.01 0.03 0.01 -0.01 -0.01 0.02 -0.01 0.00 0.00 -0.03 -0.01 -0.01 -0.07 0.02 0.00 0.01 0.01 -0.02 -0.03 0.02 0.00 0.00 -0.02 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 0.00 0.02 -0.02 -0.01 0.01 0.01 0.01 0.00 0.01 0.00 0.01 -0.05 0.03 0.03 0.03 0.06 -0.05 -0.06 -0.02 0.01 0.63 0.09 -0.15 0.00 -0.01 -0.01 0.08 0.02 -0.04 0.08 -0.21 0.30 -0.23 0.18 -0.20 -0.17 -0.01 0.07 -0.07 0.00 0.04 0.05 0.35 0.10 0.08 -0.20 -0.13 0.14 -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.02 -0.01 -0.01 0.00 0.01 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.02 -0.01 -0.01 -0.01 0.01 -0.01 0.00 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.01 0.02 0.00 0.00 0.00 0.01 0.01 -0.01 0.01 0.01 -0.01 -0.01 0.01 0.01 -0.03 -0.01 -0.01 0.00 0.00 -0.01 -0.02 -0.06 0.02 0.00 0.03 0.01 -0.03 0.00 0.03 -0.05 -0.04 -0.05 0.00 0.01 0.01 0.02 -0.02 -0.01 -0.01 0.06 -0.01 -0.02 -0.08 -0.02 0.00 0.07 -0.01 -0.02 0.00 0.01 -0.01 0.01 0.02 0.13 -0.15 0.02 -0.31 -0.28 0.13 0.12 -0.22 -0.40 -0.09 0.19 -0.04 -0.08 0.19 -0.06 0.01 0.07 0.05 0.00 0.04 0.05 0.05 -0.10 -0.01 0.07 -0.18 0.11 -0.08 0.12 -0.21 0.03 -0.10 0.01 -0.05 0.01 -0.08 -0.01 0.12 -0.04 -0.03 -0.34 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.02 0.01 -0.02 0.09 -0.04 -0.02 -0.01 0.00 0.04 -0.11 -0.07 -0.07 0.03 -0.01 -0.03 -0.05 -0.16 0.04 -0.01 0.18 0.03 -0.05 -0.01 0.07 0.01 0.00 0.01 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.01 -0.01 -0.01 -0.05 -0.03 0.11 -0.02 0.02 0.00 0.05 0.05 -0.02 -0.03 0.01 0.07 0.03 -0.02 0.00 -0.06 -0.03 0.03 0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.03 -0.02 0.00 0.02 -0.01 0.02 -0.02 0.02 0.00 0.01 0.00 0.01 -0.02 0.02 0.00 0.00 0.00 0.01 0.05 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.01 0.01 -0.01 0.00 0.01 -0.01 -0.01 0.00 0.01 -0.01 0.00 0.02 0.04 0.03 -0.15 -0.09 -0.65 0.20 0.05 0.50 0.20 -0.11 0.32 0.24 0.01 -0.04 0.01 -0.03 -0.02 0.02 0.06 -0.11 -0.03 -0.08 0.17 0.03 0.02 -0.49 0.14 -0.25 0.15 0.16 0.01 0.03 -0.01 0.02 0.04 0.00 -0.01 0.03 -0.01 0.06 0.08 -0.03 0.00 0.08 0.05 0.02 -0.01 0.01 -0.03 -0.01 0.05 0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.02 0.04 -0.01 -0.01 0.04 -0.02 0.03 -0.03 0.05 -0.01 0.02 -0.01 0.02 -0.03 0.01 0.00 -0.04 0.02 0.00 0.09 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.07 -0.11 0.26 -0.11 -0.20 -0.08 -0.06 0.07 -0.17 -0.47 0.22 -0.03 -0.03 0.00 0.07 -0.01 0.00 0.04 -0.19 0.04 0.05 0.10 -0.04 0.01 0.01 -0.02 0.02 -0.04 -0.01 -0.02 0.02 0.01 0.02 -0.03 -0.01 -0.01 0.11 -0.03 0.07 -0.02 -0.05 0.01 -0.01 0.00 0.09 0.04 0.02 0.00 -0.01 0.01 -0.02 -0.04 0.01 0.00 0.00 -0.01 -0.02 0.01 0.00 -0.01 -0.01 -0.03 0.02 0.01 -0.01 -0.02 0.00 0.02 -0.01 0.02 -0.06 0.06 -0.06 0.06 0.03 0.02 -0.04 -0.01 -0.01 0.01 0.00 0.08 0.01 0.01 -0.01 -0.04 0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 -0.01 0.02 0.01 -0.01 0.07 -0.01 -0.13 -0.01 -0.04 0.28 -0.17 0.07 0.19 -0.54 0.23 0.18 0.60 -0.10 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.04 0.01 -0.02 0.00 0.01 0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.01 0.02 0.01 0.01 0.02 0.00 0.00 0.07 0.01 -0.02 -0.03 -0.01 0.00 -0.07 -0.07 0.16 0.03 -0.06 -0.10 -0.01 0.06 -0.08 0.20 -0.34 0.28 -0.18 0.25 0.24 0.03 -0.13 -0.11 -0.03 0.04 0.09 0.44 0.17 0.12 -0.29 -0.23 0.27 -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.01 0.02 0.00 0.01 -0.05 0.04 -0.02 -0.03 0.10 -0.04 -0.04 -0.12 0.02 -0.03 -0.01 0.03 -0.01 0.00 0.00 0.02 0.00 -0.01 0.00 0.01 0.00 0.02 0.02 -0.03 -0.01 0.01 0.01 0.00 -0.01 0.00 0.01 -0.01 0.00 0.04 -0.07 -0.04 -0.01 -0.13 -0.03 0.01 -0.23 -0.05 -0.02 0.10 0.10 0.07 0.33 0.32 0.04 -0.01 0.02 -0.02 -0.06 -0.05 -0.10 0.24 -0.05 -0.01 0.25 -0.08 0.16 -0.16 0.25 -0.06 0.03 -0.09 0.13 -0.11 0.12 0.02 -0.37 0.01 0.09 0.40 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.01 -0.05 0.04 0.03 0.02 0.00 -0.01 0.04 0.08 -0.03 -0.01 0.01 0.00 0.02 0.00 0.00 0.01 -0.02 0.01 0.01 0.04 -0.01 0.09 -0.01 -0.07 0.09 -0.03 -0.06 -0.12 0.08 0.08 0.05 -0.01 -0.04 -0.09 0.32 -0.02 0.40 0.07 -0.33 -0.02 0.05 0.01 -0.02 0.05 -0.01 -0.06 -0.04 0.03 0.01 -0.10 0.00 -0.05 0.00 0.08 0.02 0.03 0.02 -0.05 0.02 0.04 0.00 0.01 0.01 0.00 -0.01 -0.01 -0.02 0.04 -0.01 0.00 0.05 -0.02 0.03 -0.04 0.06 -0.01 0.00 -0.02 0.02 -0.03 0.02 0.00 -0.07 0.00 0.02 0.06 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.04 -0.02 0.31 -0.40 -0.17 -0.12 0.00 0.09 -0.18 -0.28 0.19 0.03 -0.04 0.01 -0.06 -0.01 -0.01 -0.03 0.05 -0.04 -0.04 -0.16 0.03 0.02 0.02 -0.01 -0.01 0.01 0.00 -0.01 -0.03 0.01 0.04 0.01 -0.03 -0.07 -0.34 0.13 0.44 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.01 0.00 -0.02 -0.08 0.01 0.00 0.00 0.00 0.00 -0.02 -0.02 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.05 0.02 -0.36 0.48 0.19 0.00 -0.03 0.00 -0.06 -0.33 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 -0.09 0.02 -0.03 0.05 0.02 0.02 0.03 -0.02 0.02 0.05 -0.02 0.04 0.13 -0.06 0.25 0.10 -0.22 0.00 -0.03 0.00 0.01 -0.04 0.00 0.04 0.03 0.01 -0.11 -0.34 0.04 0.18 0.64 -0.08 0.02 -0.03 -0.03 0.00 0.22 0.27 0.02 -0.13 0.00 -0.01 0.06 0.00 0.02 -0.06 -0.04 -0.02 -0.08 0.00 -0.08 0.11 -0.17 -0.01 0.05 0.01 0.01 0.04 0.03 -0.01 0.04 0.03 0.01 0.14 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.03 0.01 0.02 -0.06 0.01 -0.01 -0.03 0.02 -0.04 -0.04 0.00 -0.01 0.02 0.00 0.02 0.01 0.00 0.01 0.00 0.01 0.01 0.04 -0.01 -0.08 -0.08 0.13 -0.06 0.07 0.02 0.04 0.05 -0.04 0.02 0.06 -0.03 0.11 0.36 -0.15 0.27 0.12 -0.22 0.00 -0.04 0.01 0.02 -0.05 0.01 0.04 0.03 -0.06 0.17 0.58 -0.08 -0.02 -0.22 -0.02 -0.03 0.01 0.01 0.07 -0.11 -0.18 -0.02 0.08 -0.02 0.01 -0.04 0.01 -0.01 0.02 0.04 0.02 0.03 0.01 0.06 -0.07 0.10 0.01 -0.03 0.01 -0.02 -0.01 -0.03 0.01 0.00 -0.02 -0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.05 0.02 0.11 -0.21 -0.05 0.00 -0.07 0.01 -0.02 -0.20 0.08 -0.01 0.03 -0.01 0.02 0.01 0.01 0.01 -0.01 0.01 0.01 0.07 -0.01 0.03 0.14 -0.04 -0.03 0.17 -0.02 -0.02 0.03 0.01 0.00 -0.03 0.00 -0.04 -0.06 0.05 -0.12 -0.07 0.11 0.00 -0.06 0.01 0.04 -0.09 0.01 0.00 0.03 0.04 -0.08 -0.09 0.06 -0.14 -0.56 0.02 -0.04 -0.01 -0.02 0.03 0.14 0.12 0.02 -0.11 -0.01 -0.01 0.05 0.01 0.03 -0.06 -0.05 -0.03 -0.08 0.01 -0.07 0.09 -0.15 0.00 0.04 0.01 0.00 0.05 0.01 -0.01 0.07 0.02 0.00 0.10 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.04 0.01 0.14 -0.25 -0.07 0.05 -0.04 -0.03 -0.05 -0.53 0.12 -0.01 0.05 -0.01 0.05 0.03 0.00 0.02 0.02 0.03 0.02 0.10 -0.03 0.03 0.02 -0.06 -0.03 0.17 -0.02 -0.02 0.03 0.01 -0.02 -0.01 0.02 -0.09 -0.31 0.14 -0.04 -0.02 0.02 0.00 -0.06 0.00 0.04 -0.09 0.01 -0.04 -0.05 -0.02 -0.03 -0.37 -0.03 0.10 0.59 0.04 0.04 0.00 0.06 0.00 -0.23 -0.20 -0.03 0.16 0.03 0.01 -0.06 -0.02 -0.04 0.10 0.08 0.03 0.12 -0.02 0.09 -0.14 0.22 0.00 -0.05 -0.02 0.00 -0.09 -0.02 0.01 -0.09 -0.02 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.05 0.02 0.07 -0.15 -0.02 0.03 0.00 -0.02 0.00 -0.06 -0.01 -0.01 0.05 -0.01 0.03 0.01 0.01 0.02 0.02 0.02 0.01 0.09 -0.02 0.05 -0.08 0.01 0.06 0.08 -0.07 -0.03 0.02 0.02 -0.02 0.02 0.01 -0.13 -0.51 0.21 0.09 0.04 -0.08 -0.01 -0.02 0.01 0.01 -0.02 0.00 -0.02 -0.07 0.02 0.14 0.53 -0.02 0.00 0.00 -0.02 -0.01 0.04 -0.02 -0.01 0.12 0.08 0.00 -0.06 -0.03 0.00 0.02 0.01 0.02 -0.05 -0.04 -0.02 -0.06 0.01 -0.02 0.05 -0.07 0.00 0.01 0.01 0.00 0.05 0.00 -0.01 0.05 0.00 0.00 0.05 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 0.02 0.06 -0.13 -0.03 -0.02 0.00 0.01 0.08 0.47 -0.13 0.00 0.01 0.00 0.02 0.00 0.00 0.01 0.00 0.01 0.00 0.02 -0.01 -0.14 0.03 0.07 0.19 0.04 -0.15 -0.03 -0.12 0.05 0.10 0.05 -0.08 -0.05 -0.20 0.07 -0.03 0.02 0.01 -0.02 0.00 0.01 0.01 0.00 0.00 0.05 0.16 -0.04 -0.19 -0.53 0.02 -0.06 -0.29 0.05 -0.01 -0.06 0.03 0.07 -0.10 -0.06 -0.01 0.05 0.00 0.00 -0.01 0.00 -0.01 0.00 0.04 0.03 0.01 0.01 0.03 -0.03 0.06 0.01 -0.01 0.00 -0.01 -0.03 -0.02 0.01 -0.01 0.00 -0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.12 0.06 0.17 -0.24 -0.09 -0.04 -0.16 0.06 0.08 0.42 -0.12 0.00 0.00 0.00 -0.01 -0.02 0.01 0.01 -0.02 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.05 -0.03 -0.11 0.30 0.14 -0.27 0.22 0.02 -0.23 0.11 0.23 -0.01 -0.09 0.06 -0.14 0.34 -0.25 0.14 0.27 -0.33 0.09 0.43 -0.09 0.01 0.00 0.02 -0.04 -0.04 -0.05 -0.03 0.01 -0.06 -0.01 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.04 -0.03 -0.08 0.22 0.14 -0.22 0.16 0.02 -0.16 0.10 0.19 0.00 0.02 -0.02 0.04 -0.09 0.10 -0.02 -0.07 0.10 -0.04 -0.13 0.03 -0.05 -0.03 -0.10 0.19 0.28 0.34 0.32 -0.03 0.37 0.02 0.06 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.13 -0.02 -0.05 -0.02 0.04 0.02 0.11 -0.04 -0.09 0.00 0.07 -0.05 -0.27 0.10 0.25 0.08 -0.21 0.00 0.00 0.00 0.00 0.01 0.00 0.02 0.15 -0.02 -0.08 -0.46 0.00 -0.12 -0.48 0.06 -0.01 0.00 0.00 0.00 -0.25 -0.28 0.03 -0.02 0.06 0.00 0.00 -0.01 -0.02 0.08 -0.02 -0.04 0.07 -0.03 -0.05 0.02 -0.06 0.00 0.00 -0.02 0.06 -0.01 0.05 -0.03 -0.02 0.06 0.00 0.04 0.02 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 0.04 0.02 -0.04 0.03 0.00 -0.03 0.02 0.03 0.00 0.01 0.00 0.01 -0.02 0.02 -0.01 -0.02 0.02 -0.01 -0.03 0.01 0.00 0.00 0.01 -0.02 -0.02 -0.02 -0.02 0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 0.00 0.03 -0.05 -0.02 0.05 -0.07 -0.02 0.01 0.04 -0.01 0.04 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.01 0.00 -0.02 0.01 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.04 0.00 -0.01 -0.04 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.05 0.04 0.11 -0.31 -0.16 0.29 -0.22 -0.02 0.23 -0.13 -0.25 -0.01 -0.06 0.04 -0.11 0.24 -0.19 0.10 0.20 -0.24 0.08 0.32 -0.07 -0.03 -0.01 -0.06 0.13 0.17 0.21 0.19 -0.02 0.22 0.01 0.03 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.03 -0.01 -0.01 -0.01 0.01 0.00 0.04 -0.01 -0.03 -0.01 0.03 -0.02 -0.10 0.04 0.06 0.01 -0.05 0.01 0.01 0.00 0.00 0.00 0.00 0.01 0.04 0.01 -0.10 -0.10 0.05 -0.04 -0.17 0.08 0.01 -0.08 0.00 0.09 0.46 0.60 -0.06 0.10 -0.12 0.00 -0.01 0.00 0.02 -0.15 0.13 0.15 -0.14 0.10 0.13 -0.08 0.19 0.02 0.00 0.05 -0.16 -0.08 -0.13 0.11 -0.03 -0.15 -0.02 -0.19 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 0.01 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.02 -0.02 -0.01 0.01 -0.02 0.00 0.01 0.03 -0.01 0.00 0.02 -0.01 0.00 -0.01 0.00 0.01 0.04 -0.02 -0.01 0.05 0.01 0.02 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 -0.01 0.04 0.05 -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 -0.03 0.04 0.04 -0.02 0.02 0.02 -0.01 0.03 0.00 -0.02 0.00 0.02 0.10 0.00 -0.04 0.06 0.03 -0.02 0.03 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.01 0.13 0.01 -0.11 -0.54 0.31 0.08 -0.50 -0.24 -0.10 -0.45 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.04 0.00 0.00 0.00 -0.02 -0.01 0.02 -0.02 -0.03 -0.10 -0.15 0.02 -0.05 0.05 -0.06 0.06 -0.10 -0.06 -0.27 0.59 0.57 -0.09 0.25 0.19 -0.04 0.19 -0.01 0.04 0.00 0.00 -0.15 0.02 0.04 -0.10 -0.02 0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.01 0.01 0.00 -0.01 0.03 0.00 -0.02 -0.01 0.01 0.06 0.08 -0.01 0.04 -0.01 -0.01 0.00 -0.02 -0.02 -0.05 0.16 0.16 -0.02 0.07 0.05 -0.03 0.08 0.02 -0.12 -0.05 0.22 0.58 0.09 -0.29 0.37 0.29 -0.13 0.25 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.03 0.09 -0.05 -0.01 0.09 0.05 0.01 0.06 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.03 0.08 -0.12 0.39 -0.27 -0.13 0.10 0.22 -0.01 -0.07 -0.01 0.02 0.02 0.03 -0.16 -0.29 -0.13 -0.12 0.06 0.23 0.06 -0.07 0.01 -0.04 0.01 -0.26 -0.10 -0.09 0.30 0.21 0.00 -0.17 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.02 -0.09 0.23 -0.17 0.08 -0.21 0.04 -0.31 -0.13 -0.19 -0.04 0.00 -0.01 -0.11 0.22 -0.12 0.34 0.07 0.37 0.38 -0.27 -0.10 0.02 -0.01 -0.01 -0.25 0.06 0.09 0.02 -0.10 0.15 -0.05 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.00 -0.05 0.17 0.10 -0.11 -0.33 0.13 -0.18 -0.16 -0.26 0.01 -0.02 -0.02 -0.04 0.17 0.30 0.15 0.13 -0.06 -0.23 -0.08 0.08 -0.03 -0.02 0.02 0.28 -0.19 -0.24 0.19 0.33 -0.26 -0.02 0.09 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.06 0.04 0.02 0.00 0.00 0.06 0.00 -0.02 -0.02 0.01 0.05 0.05 -0.01 0.01 0.01 0.02 -0.01 -0.01 -0.05 0.19 0.05 0.03 -0.12 0.01 -0.24 -0.02 0.07 -0.04 0.00 -0.01 0.23 -0.23 0.28 -0.11 0.25 0.02 0.42 -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.01 -0.01 0.41 0.00 0.02 0.11 0.11 0.31 -0.08 -0.31 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.02 0.02 -0.04 0.02 -0.34 0.27 0.20 -0.13 -0.10 0.06 0.14 0.02 -0.01 -0.01 0.01 0.04 0.27 -0.01 0.06 -0.17 -0.31 0.03 0.10 0.02 -0.04 0.00 -0.39 -0.04 -0.02 0.27 0.10 0.11 -0.17 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.03 0.10 -0.22 0.37 -0.25 0.01 0.06 0.34 0.05 0.03 0.00 -0.02 -0.03 -0.09 0.31 0.37 0.32 0.21 0.03 -0.19 -0.19 0.08 0.02 0.01 -0.01 -0.20 0.09 0.12 -0.10 -0.18 0.14 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.13 -0.01 -0.04 -0.09 0.05 0.07 0.01 -0.06 -0.06 -0.08 0.06 0.04 -0.22 0.01 0.38 0.01 -0.29 0.01 0.00 -0.01 -0.01 0.02 0.00 -0.01 -0.04 0.02 0.07 0.07 0.00 0.04 0.12 -0.09 0.00 -0.02 -0.04 -0.02 0.07 0.07 0.01 0.02 0.02 0.01 -0.03 0.00 -0.07 0.21 0.12 0.10 0.07 0.04 -0.19 0.02 -0.11 0.00 0.00 0.00 0.04 -0.02 0.05 -0.02 -0.02 0.04 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 -0.02 -0.01 0.01 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.02 0.03 0.01 0.01 -0.01 -0.02 0.00 0.01 0.00 0.00 0.00 -0.02 0.01 0.01 -0.01 -0.02 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 -0.08 0.14 0.03 0.37 -0.44 -0.21 0.06 -0.05 -0.03 0.08 0.00 -0.06 0.01 -0.01 0.01 -0.16 -0.02 0.00 -0.04 -0.06 -0.13 0.03 0.09 0.03 0.00 0.02 0.00 -0.01 -0.01 0.01 0.01 0.00 -0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.01 0.06 0.00 -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.02 0.17 -0.05 -0.04 0.00 0.00 -0.18 0.00 -0.01 0.00 0.01 0.01 0.02 0.00 0.01 0.00 -0.03 0.02 0.01 0.11 -0.36 -0.18 -0.15 0.10 -0.07 0.42 -0.01 0.01 0.01 0.03 -0.02 0.14 0.05 0.12 -0.08 -0.20 0.31 -0.21 -0.19 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.00 0.05 -0.05 -0.03 0.01 -0.01 0.00 0.01 0.02 -0.01 -0.02 0.00 0.00 0.33 -0.06 0.05 -0.02 0.17 0.11 0.07 -0.17 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.05 -0.02 -0.01 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.02 0.02 0.03 0.01 -0.01 0.01 -0.03 0.00 0.00 0.00 -0.03 0.00 -0.03 0.02 0.01 -0.04 0.00 0.02 0.02 -0.01 0.00 0.00 -0.03 -0.02 0.00 0.06 -0.21 -0.12 0.13 0.38 -0.14 0.21 0.18 0.30 -0.03 0.00 -0.01 -0.09 0.19 -0.06 0.26 0.06 0.27 0.25 -0.21 -0.06 -0.02 -0.01 0.01 0.23 -0.14 -0.18 0.12 0.24 -0.21 0.00 0.04 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.03 0.00 0.00 0.01 0.00 0.02 -0.01 -0.02 0.00 -0.02 0.01 0.01 0.01 -0.02 0.00 0.01 0.02 -0.01 -0.01 -0.01 0.01 -0.01 -0.09 0.02 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.04 -0.02 -0.05 -0.47 0.14 0.10 0.03 0.07 0.49 0.00 0.02 0.02 -0.01 -0.06 -0.07 0.01 -0.02 0.00 -0.01 0.05 -0.01 0.07 -0.18 -0.21 -0.17 -0.30 -0.06 0.11 -0.07 0.31 -0.01 0.02 -0.01 0.13 -0.02 0.14 -0.07 -0.02 0.15 0.02 -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.03 -0.01 0.02 0.05 -0.02 0.03 0.02 0.04 0.00 0.00 0.00 -0.01 0.03 0.00 0.04 0.01 0.04 0.03 -0.03 -0.01 0.00 0.00 0.00 0.03 -0.02 -0.02 0.02 0.03 -0.03 0.00 0.01 0.02 0.00 0.00 0.00 -0.01 0.01 0.01 0.04 -0.06 -0.02 0.01 0.01 -0.01 0.00 -0.08 0.02 0.01 -0.01 0.00 -0.15 0.01 -0.02 -0.03 -0.05 -0.09 0.01 0.10 0.06 0.01 -0.03 0.00 0.01 0.02 -0.01 -0.02 0.00 0.01 0.02 0.02 -0.02 -0.01 0.04 0.00 -0.09 0.00 0.07 -0.01 -0.01 0.00 0.01 0.00 0.00 -0.01 0.02 0.02 0.10 0.01 -0.01 -0.01 -0.04 -0.11 -0.01 -0.03 -0.05 0.00 0.11 0.11 0.01 0.02 0.02 0.02 -0.02 -0.01 -0.06 0.22 0.08 0.06 -0.02 0.03 -0.22 0.00 -0.02 -0.01 0.04 -0.03 0.29 -0.05 0.30 -0.15 -0.14 0.39 -0.04 -0.26 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 0.02 -0.01 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 0.01 0.01 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.01 -0.03 -0.01 -0.08 0.09 0.04 -0.01 0.01 0.01 -0.02 0.00 0.01 0.01 -0.01 0.02 -0.25 -0.07 0.03 -0.16 -0.02 -0.32 0.17 0.24 -0.06 0.01 0.01 -0.01 -0.02 0.01 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 0.02 0.05 -0.02 0.03 0.01 -0.03 0.01 0.00 0.00 0.00 0.00 0.00 -0.02 0.01 0.03 0.31 -0.13 -0.08 -0.02 -0.04 -0.34 0.00 0.00 0.02 0.01 -0.01 0.00 -0.02 0.00 -0.01 -0.01 0.03 0.00 0.08 -0.24 -0.15 -0.14 -0.16 -0.05 0.19 -0.05 0.21 -0.02 -0.01 0.00 0.13 -0.14 0.16 -0.08 0.27 -0.05 0.34 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 -0.01 0.00 -0.02 0.00 0.01 0.05 -0.02 0.02 0.00 -0.01 -0.31 0.09 -0.07 0.07 -0.20 -0.02 -0.14 0.11 0.27 -0.04 -0.01 0.03 0.04 -0.03 -0.02 0.00 0.05 -0.01 0.02 -0.01 -0.01 -0.04 -0.16 0.07 -0.09 -0.04 0.08 0.00 -0.01 0.00 0.00 0.01 -0.01 0.02 0.00 -0.01 -0.12 0.07 0.03 0.02 0.04 0.12 0.00 -0.02 -0.03 0.00 0.06 0.06 -0.02 0.02 0.02 -0.02 -0.04 0.03 0.01 -0.14 0.09 0.07 0.51 0.00 0.28 0.10 -0.44 -0.01 0.00 -0.01 0.11 -0.10 0.12 -0.06 0.06 0.07 0.12 -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.01 -0.01 -0.04 0.01 0.01 0.05 -0.01 -0.04 -0.18 0.06 0.01 0.01 -0.02 -0.15 0.10 -0.07 0.14 -0.18 0.13 -0.19 -0.02 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.05 0.00 0.01 0.00 0.01 0.06 0.00 0.00 0.01 0.02 -0.02 -0.03 -0.02 0.00 0.00 -0.01 -0.01 0.01 0.03 -0.15 0.00 -0.01 0.19 -0.01 0.19 0.03 -0.15 -0.02 -0.03 0.01 0.00 -0.14 0.03 0.00 0.29 -0.21 0.35 0.14 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.02 0.04 0.04 -0.16 0.10 -0.28 0.21 -0.36 0.35 0.17 -0.36 -0.10 -0.02 0.08 0.08 -0.09 -0.04 0.01 0.13 -0.04 0.05 -0.03 -0.03 -0.09 -0.40 0.15 -0.18 -0.10 0.16 0.00 0.01 0.00 -0.01 0.02 0.00 0.00 0.01 0.01 0.30 -0.07 -0.08 0.03 0.06 -0.35 0.00 0.01 0.02 0.01 -0.05 -0.06 0.01 -0.01 0.00 0.01 0.02 -0.02 0.00 0.07 -0.06 -0.05 -0.27 -0.01 -0.15 -0.05 0.24 0.00 -0.01 0.00 -0.07 0.04 -0.07 0.04 -0.01 -0.07 -0.04 0.05 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.04 0.04 0.02 -0.14 0.01 0.02 0.11 -0.03 -0.09 -0.40 0.14 -0.01 -0.01 0.01 0.08 -0.04 0.02 -0.06 0.09 -0.04 0.08 -0.01 -0.11 -0.09 0.05 0.06 0.08 -0.02 -0.06 -0.04 -0.01 0.03 -0.12 -0.01 0.09 -0.03 0.08 0.00 0.17 0.06 -0.14 0.00 0.05 -0.01 0.00 -0.04 0.01 0.01 -0.02 -0.04 0.09 -0.17 -0.06 0.03 0.07 -0.08 0.04 0.12 0.27 0.06 -0.30 -0.19 -0.09 -0.11 -0.30 0.01 -0.02 0.04 -0.04 0.07 0.22 0.23 0.05 0.14 -0.16 0.09 -0.29 0.00 0.04 0.02 0.16 0.07 0.17 -0.11 0.05 0.23 -0.03 -0.21 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.08 -0.04 -0.06 -0.03 0.11 0.00 0.06 0.00 -0.05 0.06 -0.05 -0.03 0.01 0.00 0.00 0.00 0.02 -0.02 -0.01 0.05 0.00 0.01 0.03 0.01 0.17 -0.09 -0.11 -0.20 -0.03 0.15 0.10 0.05 -0.09 0.25 0.02 -0.19 0.06 -0.20 -0.01 -0.33 -0.12 0.28 0.02 0.02 -0.02 -0.01 -0.02 0.00 -0.01 0.01 -0.02 -0.05 -0.14 -0.01 -0.04 -0.10 0.11 0.04 0.08 0.16 0.02 -0.15 -0.07 -0.06 -0.06 -0.19 0.01 -0.01 0.03 -0.02 0.03 0.14 0.15 0.04 0.09 -0.08 0.06 -0.18 0.00 0.02 0.02 0.10 0.04 0.11 -0.07 0.05 0.14 -0.01 -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 0.09 0.12 0.08 -0.28 -0.01 -0.12 -0.01 0.09 -0.11 0.09 0.07 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.02 0.00 0.00 0.00 0.01 -0.03 0.28 -0.02 -0.02 -0.16 0.05 0.01 0.29 -0.06 0.03 0.16 -0.05 -0.12 -0.31 0.15 -0.12 0.15 0.07 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.04 0.01 -0.03 0.02 0.01 0.03 0.10 -0.01 0.00 -0.01 -0.01 -0.01 0.01 0.02 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.01 0.02 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 -0.25 -0.02 -0.26 0.19 0.17 -0.04 -0.34 0.09 0.13 0.45 -0.17 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.01 -0.01 -0.01 0.01 0.02 -0.03 -0.01 0.02 -0.14 0.02 0.01 -0.02 0.00 0.01 -0.01 0.00 0.01 0.00 0.00 0.00 -0.01 0.01 -0.38 0.59 -0.03 0.34 -0.54 0.03 0.01 0.01 0.00 -0.02 0.03 0.01 0.01 -0.03 0.00 -0.04 -0.04 -0.06 0.01 0.05 0.01 0.02 0.02 0.07 0.00 0.00 -0.01 0.00 0.00 -0.03 -0.03 0.03 -0.02 0.02 0.00 0.01 0.00 0.00 -0.01 -0.01 -0.02 -0.01 0.01 -0.03 -0.01 -0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.03 0.00 0.01 0.00 -0.01 -0.01 0.03 0.00 -0.01 0.00 0.01 0.02 0.07 -0.01 -0.03 0.11 -0.06 0.03 0.06 0.03 0.00 0.14 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 -0.04 0.66 0.18 0.08 -0.23 0.04 0.42 -0.02 -0.24 -0.08 0.00 0.02 0.02 0.23 -0.02 -0.22 -0.25 -0.07 -0.12 0.04 -0.12 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.04 0.03 0.01 -0.02 -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.02 0.01 0.00 0.00 0.00 -0.02 0.00 -0.02 0.35 0.09 0.04 -0.12 0.02 0.22 -0.01 -0.13 -0.04 0.01 -0.03 -0.03 -0.42 0.04 0.41 0.43 0.12 0.21 -0.07 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.08 -0.17 -0.13 -0.04 0.07 0.08 -0.03 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.01 -0.06 0.22 -0.02 0.71 -0.64 0.15 -0.04 0.00 0.00 0.00 -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.03 0.02 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.03 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.02 0.01 -0.02 0.00 0.03 0.00 -0.02 -0.01 0.00 -0.01 -0.01 -0.13 0.01 0.12 0.15 0.04 0.07 -0.02 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 -0.02 -0.04 0.31 0.66 0.41 0.12 -0.21 -0.31 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.01 0.01 0.30 0.14 -0.01 -0.09 -0.05 -0.24 0.00 -0.23 0.15 -0.01 -0.03 0.02 0.46 0.14 -0.01 -0.22 0.27 0.16 -0.13 -0.08 -0.36 -0.01 -0.01 -0.02 0.00 -0.20 0.14 -0.14 0.17 0.11 0.29 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.01 -0.01 -0.26 -0.12 0.01 0.08 0.05 0.21 0.00 0.19 -0.12 -0.01 -0.03 0.02 0.43 0.13 -0.01 -0.20 0.25 0.15 -0.12 -0.07 -0.33 0.02 0.01 0.02 0.00 0.25 -0.17 0.18 -0.22 -0.14 -0.37 -0.13 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.02 0.01 0.45 0.20 -0.02 -0.13 -0.08 -0.36 0.00 -0.34 0.22 0.00 0.00 0.00 -0.06 -0.02 0.00 0.03 -0.03 -0.02 0.02 0.01 0.05 0.02 0.01 0.02 0.00 0.29 -0.20 0.20 -0.25 -0.15 -0.40 -0.14 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.01 -0.05 0.17 -0.01 0.64 0.72 -0.17 0.01 0.00 0.00 0.00 -0.02 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.02 -0.01 -0.05 0.00 0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.01 -0.05 -0.53 -0.14 -0.09 -0.33 0.08 0.68 0.01 -0.10 -0.04 -0.03 0.00 0.00 0.14 -0.02 -0.14 0.19 0.06 0.10 -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.01 0.17 0.05 0.03 0.10 -0.02 -0.21 0.00 0.03 0.01 -0.08 -0.01 0.02 0.44 -0.06 -0.45 0.60 0.18 0.31 -0.03 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.01 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.03 0.00 0.03 0.02 0.01 0.01 0.01 -0.05 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.09 0.04 -0.28 -0.57 0.47 0.15 -0.22 -0.42 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.04 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.02 0.04 0.10 -0.01 -0.09 -0.12 -0.04 -0.05 -0.08 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 -0.01 0.01 0.02 0.01 0.02 -0.49 -0.16 0.26 -0.53 0.22 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.02 -0.02 0.00 0.00 0.00 -0.01 -0.01 0.00 0.07 0.03 0.00 0.01 0.01 0.04 0.00 0.03 -0.02 -0.09 0.00 -0.02 0.70 0.23 -0.03 0.22 -0.30 -0.18 0.16 0.09 0.49 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.01 -0.03 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.04 -0.07 -0.16 0.02 0.14 0.25 0.08 0.11 0.17 -0.52 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.00 0.01 0.00 0.02 0.00 0.02 -0.01 0.00 0.00 0.00 0.02 0.01 0.00 0.01 -0.01 -0.01 0.01 0.00 0.02 0.00 0.00 0.00 0.00 0.02 -0.01 0.01 -0.02 -0.01 0.03 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.01 0.02 0.05 -0.29 -0.09 0.15 -0.20 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.02 0.00 -0.01 -0.01 0.03 -0.04 0.00 0.00 0.00 -0.04 -0.05 -0.01 0.46 0.20 -0.02 0.09 0.06 0.28 -0.02 0.28 -0.19 0.01 0.00 0.00 -0.05 -0.01 0.00 -0.02 0.03 0.02 -0.01 -0.01 -0.03 -0.06 -0.02 0.03 -0.01 0.27 -0.19 0.19 -0.26 -0.16 0.50 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.01 -0.01 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 -0.05 0.00 0.50 0.22 -0.02 0.09 0.05 0.28 -0.02 0.32 -0.21 0.01 0.00 0.00 -0.04 -0.01 0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.03 0.05 0.02 -0.03 0.01 -0.26 0.18 -0.17 0.24 0.14 -0.47 -0.17 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.04 0.01 0.01 -0.01 0.10 0.07 0.30 0.00 -0.25 0.16 0.02 -0.05 -0.07 -0.05 -0.02 -0.01 -0.38 0.47 0.27 0.20 0.10 0.54 0.01 -0.01 0.00 0.00 0.06 -0.04 -0.05 0.07 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 -0.05 0.02 0.01 -0.01 0.15 0.10 0.43 0.01 -0.37 0.23 0.00 0.01 0.02 0.01 0.00 0.00 0.09 -0.12 -0.07 -0.05 -0.02 -0.13 -0.02 0.07 -0.01 0.00 -0.43 0.31 0.28 -0.35 -0.23 -0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.02 -0.05 0.03 0.02 -0.01 0.15 0.10 0.43 0.01 -0.35 0.22 -0.01 0.02 0.03 0.01 0.01 0.00 0.16 -0.21 -0.12 -0.09 -0.05 -0.25 0.02 -0.06 0.01 0.00 0.38 -0.28 -0.26 0.32 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 -0.01 -0.08 -0.04 0.16 0.03 0.01 -0.11 0.01 0.21 0.04 0.91 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.06 -0.02 0.00 0.00 0.02 -0.06 0.05 -0.27 0.72 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 -0.01 0.01 0.02 0.00 -0.01 -0.02 -0.01 -0.01 -0.03 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.01 -0.04 0.00 0.16 -0.07 -0.12 -0.12 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.02 -0.02 -0.20 -0.24 0.21 -0.05 0.02 0.03 0.57 -0.24 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.01 -0.03 0.00 0.01 0.00 -0.41 0.18 0.29 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.03 0.03 0.34 0.40 -0.35 -0.04 0.02 0.02 0.43 -0.18 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.02 -0.03 0.01 -0.05 0.00 -0.52 0.23 0.38 -0.14 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 -0.11 -0.14 0.11 0.02 -0.01 -0.02 -0.27 0.11 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.02 0.02 0.01 -0.05 0.00 0.33 -0.15 -0.24 -0.14 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.04 0.03 0.34 0.40 -0.35 0.02 -0.01 -0.01 -0.18 0.07 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 6 6 6 1 1 6 6 6 1 1 6 1 6 6 1 1 1 6 1 1 1 15 6 1 1 1 6 1 1 1 6 1 1 1 79 6 1 6 1 6 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 6 6 6 6 1 1 6 6 6 1 1 6 1 6 6 1 1 1 6 1 1 1 15 6 1 1 1 6 1 1 1 6 1 1 1 79 6 1 6 1 6 1 1 1 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 12.00000 12.00000 12.00000 1.00783 1.00783 12.00000 1.00783 12.00000 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 30.97376 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 196.96660 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 1.00783 1.00783 457.13599 0.99867 0.04697 0.02119 -0.04667 0.99881 -0.01431 -0.02184 0.0133 0.99967 asymmetric 1 0.02090 0.00746 0.00605 0.43547 0.15544 0.12614 980048.0 29.15 37.43 67.75 74.78 87.09 100.14 129.14 163.77 165.62 188.14 199.50 220.62 231.61 235.82 268.63 288.99 304.34 311.00 323.70 329.15 355.60 370.98 376.62 409.42 430.02 494.75 504.31 563.23 592.94 622.11 665.53 673.37 735.58 789.18 816.12 848.75 961.71 967.59 1042.24 1052.17 1069.90 1071.35 1112.92 1135.90 1184.92 1198.56 1272.44 1273.02 1278.37 1310.96 1375.97 1394.17 1410.55 1416.72 1423.55 1429.65 1436.64 1441.98 1454.29 1477.60 1507.30 1535.92 1562.40 1584.36 1616.49 1629.01 1727.39 1732.65 1750.11 1794.79 1806.02 1873.92 1918.77 1946.27 1948.64 1972.80 1977.35 1987.19 2051.77 2055.14 2059.37 2121.42 2124.74 2125.95 2128.81 2136.65 2141.67 2144.05 2149.00 2153.85 2154.38 2158.49 2166.25 2178.08 2189.88 2195.59 2331.49 2339.12 2370.33 2642.58 4380.47 4387.88 4393.28 4396.63 4407.16 4408.30 4410.02 4444.28 4455.49 4464.49 4491.72 4521.04 4532.65 4533.12 4533.18 4535.04 4544.48 4546.01 4547.50 4577.10 4586.83 4596.62 4606.65 4621.43 4635.71 0.373281 0.396962 0.397906 0.318220 -1139.507077 -1139.483395 -1139.482451 -1139.562137 249.097 85.874 167.714 0.000 0.000 0.000 0.889 2.981 44.248 0.889 2.981 34.886 247.320 79.913 88.579 1 0.593 1.986 6.609 2 0.593 1.985 6.112 3 0.595 1.979 4.936 4 0.596 1.977 4.741 5 0.597 1.973 4.440 6 0.598 1.969 4.165 7 0.602 1.956 3.665 8 0.607 1.938 3.203 9 0.608 1.937 3.181 10 0.612 1.923 2.935 11 0.614 1.915 2.822 12 0.619 1.899 2.630 13 0.622 1.890 2.538 14 0.623 1.887 2.504 15 0.632 1.858 2.260 16 0.638 1.839 2.125 17 0.643 1.823 2.030 18 0.645 1.816 1.991 19 0.650 1.803 1.919 20 0.651 1.797 1.889 21 0.661 1.767 1.751 22 0.667 1.750 1.676 23 0.669 1.743 1.650 24 0.683 1.702 1.506 25 0.692 1.676 1.423 26 0.723 1.588 1.194 27 0.727 1.574 1.164 28 0.759 1.488 0.995 29 0.776 1.444 0.919 30 0.793 1.400 0.851 31 0.820 1.333 0.759 32 0.825 1.321 0.743 33 0.866 1.225 0.631 34 0.904 1.143 0.547 35 0.923 1.102 0.510 36 0.947 1.053 0.467 0.211850e+26 25.326028 58.315335 0.587108e+10 9.768718 22.493305 0.100000e+01 0.000000 0.000000 0.384170e+09 8.584523 19.766595 0.939261e+07 6.972786 16.055434 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.4270 0.3778 0.4302 0.7143 -58.1436 -113.3168 -130.0706 8.8284 -2.8369 -0.1500 42.3667 -12.8065 -29.5602 8.8284 -2.8369 -0.1500 -204.8756 38.3096 19.7237 -27.3022 21.0445 6.0735 -61.1589 22.3592 11.8606 15.2991 -6187.7796 -2386.6685 -720.7435 122.9798 89.1108 -54.4996 -44.3304 75.2381 -21.1104 -1508.0429 -1289.2652 -559.1887 70.6618 18.2271 15.8027 0 -1139.8803571 1.525E-9 2.99E-6 0.3732806 0.3969621 C01 [X(C17H25Au1P1)] -1.1457017 0.472949 0.253579 0.0661006 0.1063735 -0.0505485 0.1450927 0.1440738 -0.1696986 -0.0613731 -0.0292231 0.0621798 -0.4335255 -0.3142166 0.0271163 -0.0165783 -0.2746923 -0.0002411 0.0510894 0.0279875 0.00054 -0.0078546 0.0739015 -0.1023805 -0.0749559 0.0503459 0.0697035 -0.1314879 -0.1602559 -0.0546035 -0.0306574 -0.0489968 -0.0565868 -0.0015879 0.084196 -0.0270698 -0.0525099 0.010734 -0.0481236 0.0058195 0.0409994 0.1013508 0.0663541 0.0655991 -0.0487227 0.138528 -0.048103 0.0819611 0.0955092 0.0469471 0.0188397 0.0565188 -0.1258072 0.0061178 0.0295411 0.0054601 0.1187534 3.3363213 0.6830407 0.224635 -0.1504745 0.6978413 0.0360612 -0.4397023 -0.2181595 -0.2220304 -2.5354776 -0.0793508 -0.1772375 -0.0546314 -0.1169282 -0.006809 0.1449818 0.2161249 -0.1082711 0.3633333 0.0601307 0.0765477 -0.0128947 0.0499163 0.0562957 0.0359807 0.0964721 0.1438648 0.0491976 -0.0321005 -0.044403 -0.0168056 0.0200601 0.0563137 0.0267123 0.0074346 -0.1169977 -0.1066158 0.0197934 0.0442844 0.0487304 -0.0350341 -0.0591486 -0.0282805 -0.0190083 0.06317 -1.8049536 -0.6602265 -0.293744 -0.7466773 -0.1123322 -0.038285 -0.8857737 -0.2388986 -0.0566015 0.2481798 0.0955328 -0.0037364 0.0382607 -0.0786711 0.0579879 -0.0599681 0.0217666 0.008193 0.3137825 0.046506 0.3282782 0.2564836 0.4483886 0.0742829 1.8240506 0.5340703 0.5102618 -0.1960146 0.0801714 -0.1629001 -0.040164 -0.0766429 0.0143575 -0.2351924 0.0340763 -0.0958286 -0.0816415 -0.0611724 -0.0453075 -0.0006641 0.0669017 0.0449298 -0.0888833 -0.0045018 0.0784441 0.0789873 0.0218205 0.1022809 0.1299506 0.0945456 0.0105268 -0.0012083 -0.0349485 -0.0545592 0.1352775 0.0206768 0.0131055 0.0499157 -0.0756704 -0.0057106 0.0038048 -0.0364833 0.0452685 0.0346871 -0.010289 0.0126101 0.0574048 -0.1137491 -0.0658379 -0.1819275 -0.2052318 -0.0554419 0.0600026 0.0486808 0.1131041 -0.1062522 0.0022767 -0.024856 0.0766117 0.0044364 0.0103516 -0.094101 -0.0684991 -0.1008345 -0.0874399 0.0106657 -0.0501092 -0.0862003 -0.015922 0.0774017 0.0922181 0.0569955 -0.0439111 0.0042312 -0.0321072 0.0355515 -0.0328794 0.1086591 -0.0472895 1.8757742 0.1240427 -0.0420632 0.1744225 1.0103525 -0.0216931 -0.0811082 -0.0431556 0.9805989 -0.4919617 0.0783773 0.0609738 -0.2212807 -0.2231378 0.0336372 -0.04055 -0.0115992 -0.2399798 -0.1682198 -0.0386201 0.0393625 0.0685052 0.0454137 -0.0371903 0.0962581 -0.0221779 0.0955413 0.0879542 0.0182596 -0.0168378 0.0001445 0.0846773 -0.0591545 -0.0442289 -0.0453891 -0.0469541 0.0998817 0.0387728 0.0070545 0.0176223 -0.0300412 0.0717797 0.0122159 0.0526602 0.0594501 -0.5541935 -0.1513814 0.0879022 0.0197032 -0.2576887 0.0203159 -0.06784 -0.0179183 -0.2356683 -0.0674789 -0.0555417 0.0058641 -0.1808 -0.0007023 0.0609562 0.0961278 0.0747212 0.0815464 0.072682 0.0576506 0.0422995 0.089624 -0.0130786 -0.0351995 0.0306836 -0.0132236 0.0712942 0.1065511 -0.0185029 -0.0463736 0.0026915 0.0736282 0.0159929 -0.0618787 -0.0096883 -0.0460341 -0.5383997 -0.055133 -0.1225925 -0.088997 -0.2607053 -0.0444865 0.1717659 0.0370004 -0.2203492 0.1124744 0.0030545 -0.0303851 0.0012314 0.0009622 0.0615188 -0.0149053 0.0876463 0.0119236 0.0699988 0.0517462 0.0104456 0.0670735 0.0264127 -0.0628458 0.0440356 -0.0744727 0.0350488 -0.1274608 -0.0783605 -0.0100652 -0.107698 0.0867977 -0.0116003 -0.1529559 -0.0388963 0.0161161 0.48227 0.0925162 -0.009245 0.4944305 0.0518588 -0.0019059 0.0071717 0.0717004 -0.0607883 -0.1157685 0.1847411 -0.0852632 0.070866 -0.101079 -0.1187621 -0.0399421 -0.1181123 -0.0461277 0.0568848 -0.0650955 0.08322 -0.054518 -0.0170172 0.0681533 0.0843891 0.0938507 0.0562737 0.0318007 -0.1571829 -0.1331073 -0.1160989 -0.1889363 0.130499 -0.1681775 0.1536618 -0.06658 -0.0354226 0.0647781 0.1078466 0.032578 0.0678411 -0.0115797 0.1057345 -0.0549516 0.0640058 0.46258 -0.099253 0.0404169 0.066595 0.0875437 -0.0388638 -0.015788 -0.2398272 0.0915185 0.1198285 -0.0454444 0.0085596 0.0525819 -0.1103293 -0.0293523 0.0072453 -0.052301 -0.0456 -0.0653963 -0.1146747 0.1048829 0.0657718 -0.0556774 0.0261628 0.0769734 0.0368769 0.0538086 -0.0029535 0.0385323 -0.0834579 0.0017347 0.0297292 0.0179782 -0.0911402 0.0771091 0.0503129 434.2717807|-4.2031242|351.6123018|-14.3360905|-2.2295343|235.2072258 0.000002044 0.000001985 0.000000812 0.000002137 0.000001734 0.000000180 0.000002047 0.000000911 0.000001483 0.000004302 0.000002170 0.000002641 0.000001741 0.000000498 0.000001250 0.000005446 0.000002419 0.000003609 -0.000001550 0.000002253 0.000001704 -0.000001142 -0.000000985 -0.000002486 0.000000431 0.000002122 -0.000000157 0.000000018 0.000001224 0.000000016 0.000000497 0.000003618 -0.000000143 -0.000001936 0.000002606 -0.000000439 -0.000002037 0.000001663 -0.000001622 -0.000002045 0.000003488 -0.000002063 -0.000001390 0.000005237 -0.000000791 -0.000000685 0.000007186 -0.000000985 -0.000000373 0.000005864 -0.000000717 0.000000722 0.000005349 -0.000000086 -0.000003159 0.000004312 -0.000002689 -0.000003057 0.000003962 -0.000002497 -0.000003569 0.000005854 -0.000002888 -0.000004149 0.000003557 -0.000003785 -0.000000102 -0.000004733 0.000000566 -0.000001197 -0.000005490 -0.000000405 -0.000000519 -0.000006591 0.000000158 -0.000001290 -0.000004223 -0.000000557 -0.000002226 -0.000006004 -0.000000996 0.000002263 -0.000004207 0.000001678 0.000002582 -0.000005224 0.000001941 0.000002987 -0.000003697 0.000002289 0.000001947 -0.000002832 0.000001580 0.000000490 -0.000007026 0.000000862 -0.000000422 -0.000007581 0.000000100 0.000001364 -0.000006772 0.000001619 0.000000987 -0.000007785 0.000001374 -0.000000816 -0.000002375 -0.000000162 0.000003698 0.000001581 0.000002531 0.000004582 0.000001259 0.000003087 0.000003052 0.000002349 0.000001930 0.000003452 0.000002948 0.000002189 -0.000003286 -0.000000010 -0.000001798 -0.000003958 0.000000547 -0.000002961 -0.000003733 0.000000510 -0.000002712 -0.000004148 -0.000001672 -0.000002660 432.12221099999994 AuxInfo=1/0/N:41,15,19,8,37,4,7,3,39,12,9,14,2,1;24,28,32,23;36/E:(2,3);(1,2,3);/CRV:4.2,5.3,6.3,7.2,8.3,9.3,10.3,12.3,13.3,14.3;;/rA:44nC3C3C3C3HHC2C3CHHC3HC3CHHHCHHHP4CHHHCHHHCHHHAuC3HC3HCHHH/rB:s1;s2;;s3;s4;s2;s7;s1;s9;s9;s9;s12;s12;s14;s15;s15;s15;s14;s19;s19;s19;;s23;s24;s24;s24;s23;s28;s28;s28;s23;s32;s32;s32;s8s23;s3s4;s37;s1s4;s39;s8;s41;s41;s41;/rC:3.0425,-1.4479,-.8578;1.9407,-.9772,-.1222;1.1831,-1.8694,.658;2.5806,-3.6966,-.0957;.3537,-1.4965,1.2503;2.8324,-4.753,-.0842;1.6322,.4341,-.2285;.7373,1.3643,-.2592;3.8443,-.3948,-1.5956;3.5514,-.3751,-2.6522;4.9115,-.6449,-1.5717;3.5968,.9763,-.9901;3.3107,1.7699,-1.6754;4.0035,1.3469,.2722;4.6129,.395,1.2602;5.666,.673,1.4049;4.1264,.4953,2.238;4.5749,-.6495,.9526;3.9095,2.7682,.7499;3.1332,2.8639,1.5197;4.8551,3.0575,1.224;3.6915,3.4738,-.0545;-3.3994,-.2762,.0682;-4.5655,.9046,.8497;-5.5688,.4685,.8962;-4.2229,1.1403,1.8611;-4.596,1.8275,.2638;-3.5372,-1.8131,1.0617;-4.5789,-2.1477,1.1006;-2.9203,-2.5941,.6085;-3.1771,-1.6236,2.0768;-4.1579,-.6879,-1.5508;-4.1727,.2038,-2.1835;-3.5635,-1.4613,-2.0452;-5.1812,-1.0491,-1.4062;-1.2165,.523,-.0904;1.5008,-3.2263,.6588;.9141,-3.9139,1.2606;3.3551,-2.8056,-.8444;4.2124,-3.1652,-1.407;.7945,2.8538,-.4182;.7334,3.3407,.5626;1.7231,3.1688,-.9022;-.0449,3.2193,-1.0149;/R:/0/N:15,19,41,24,28,32,4,37,39,3,12,9,7,14,8,1,2,36,23/E:(1,2)(4,5,6)/CRV:7.3,8.3,9.3,10.3,11.3,13.2,14.3,15.3,16.3,17.3,18.2,19.4