ADF 2019 2019-11-09 x86_64_linux_intel / intelmpi Sep08-2020 04:18:00 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.01 0.39 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Sep08-2020 04:18:00 Nodes: 1 Procs: 1 Sep08-2020 04:18:00 Nodes: 1 Procs: 1 0 ADF 2019 2019-11-09 x86_64_linux_intel / intelmpi Sep08-2020 04:18:01 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.64 0.04 0.72 1 2 3 4 5 1 2 3 4 1 2 3 2.000 2.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 -70.348 -4.706 1.094 14.838 117.594 -43.980 -0.956 23.495 177.742 -5.162 7.884 88.247 S S S S S P P P P D D D S P D S P S D S P D S P 1 1 1 2 2 3 2 4 3 3 5 4 2.00 6.00 3.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -70.3477 -43.9800 -5.1622 -4.7064 -0.9562 1.0935 7.8841 14.8384 23.4949 88.2471 117.5944 177.7416 1 V -0.0000 4.0000 6.0000 3.0000 0.0000 Sep08-2020 04:18:00 Nodes: 1 Procs: 1 Sep08-2020 04:18:00 Nodes: 1 Procs: 1 0 Sep08-2020 04:18:01 Nodes: 1 Procs: 1 Sep08-2020 04:18:01 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 ADF 2019 2019-11-09 x86_64_linux_intel / intelmpi Sep08-2020 04:18:02 Hydrogen (TZP) kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.42 0.03 0.48 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Sep08-2020 04:18:00 Nodes: 1 Procs: 1 Sep08-2020 04:18:00 Nodes: 1 Procs: 1 0 Sep08-2020 04:18:01 Nodes: 1 Procs: 1 Sep08-2020 04:18:01 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 Sep08-2020 04:18:02 Nodes: 1 Procs: 1 Sep08-2020 04:18:02 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-11-09 x86_64_linux_intel / intelmpi Sep08-2020 04:18:03 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.5939,-.0036,1.0242;-.0209,2.0688,-.8362;-.0124,-2.087,-.8282;2.3144,-.0044,-.0162;-1.7959,1.5865,-.1274;-1.7911,-1.5958,-.1321;1.3674,1.6482,.5027;1.3706,-1.6561,.5082;.0504,-.0024,2.1012;.3084,1.2777,-2.5937;.3163,-1.3108,-2.6039;2.7244,-.0036,-1.936;-3.1392,-.0057,2.2988;-.0174,3.8119,-1.0523;-.0176,-3.8279,-1.0376;3.8312,.0004,.8739;-2.937,.2299,3.2069;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.V ADF 2019 Sep08-2020 04:18:01 1 1 Vanadium TZP 2p t21.O ADF 2019 Sep08-2020 04:18:02 1 1 Oxygen TZP 1s t21.H ADF 2019 Sep08-2020 04:18:00 1 1 Hydrogen TZP 1 1 -4.95981329 0.22324099 0.00100000 F 0.09409026 0.00066667 F 0.22324099 0.09409026 0.16977058 0.01000000 F 0.06431392 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.5919,-.0043,.999;-.0131,2.1004,-.8266;-.0047,-2.1177,-.8202;2.3254,-.0042,-.0619;-1.7299,1.5454,-.1012;-1.7248,-1.5549,-.1051;1.3746,1.6167,.4118;1.3781,-1.6256,.4154;-.1194,.0016,2.0471;.2532,1.4409,-2.4926;.2596,-1.4726,-2.5023;2.7978,-.0027,-1.8268;-3.0867,-.0104,2.2165;-.037,3.7709,-.9801;-.0352,-3.7867,-.967;3.7633,-.0005,.8073;-2.8516,.2299,3.139;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 2 2 -5.16505472 0.17934029 0.00100000 F 0.06978485 0.00066667 F 0.17934029 0.06978485 0.30080562 0.01000000 F 0.10922979 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.5797,-.0045,.9728;.0018,2.105,-.8287;.0079,-2.1194,-.8229;2.3516,-.0034,-.1381;-1.6095,1.4343,-.0472;-1.6062,-1.4403,-.0484;1.3653,1.5463,.2558;1.3671,-1.5544,.259;-.4202,.0066,1.8375;.1865,1.5611,-2.229;.1922,-1.5856,-2.2281;2.7899,-.0034,-1.6077;-2.9668,-.017,2.0844;-.0687,3.6922,-.9136;-.0666,-3.7071,-.8993;3.6972,-.0016,.7134;-2.6845,.2174,2.9924;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 3 3 -5.20382149 0.35463458 0.00100000 F 0.12844913 0.00066667 F 0.35463458 0.12844913 0.08251434 0.01000000 F 0.02750789 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.5938,-.0042,.9764;-.0017,2.109,-.8225;.0038,-2.1233,-.8165;2.3487,-.0037,-.1274;-1.6193,1.4452,-.0499;-1.6163,-1.4507,-.0509;1.3641,1.5481,.2662;1.3656,-1.5564,.2697;-.3376,.008,1.9181;.1938,1.5364,-2.3;.1991,-1.5617,-2.2992;2.8093,-.0038,-1.6645;-3.0037,-.0166,2.0973;-.0715,3.7324,-.9081;-.0704,-3.7469,-.893;3.7205,-.0019,.748;-2.7329,.216,3.0086;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 4 4 -5.28461809 0.08410270 0.00100000 F 0.03513710 0.00066667 F 0.08410270 0.03513710 0.14356329 0.01000000 F 0.04838967 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6052,.0008,.9941;.0173,2.1255,-.7925;.0172,-2.1362,-.783;2.3921,-.0042,-.1971;-1.5883,1.455,-.0187;-1.5891,-1.4515,-.0161;1.4231,1.5408,.2127;1.4208,-1.547,.2192;-.3729,.0155,1.9997;.1487,1.5915,-2.3309;.1503,-1.6172,-2.3259;2.8543,-.0074,-1.77;-3.0888,-.01,2.0421;-.0488,3.7826,-.813;-.0557,-3.7929,-.7885;3.7592,-.0032,.743;-2.8764,.184,2.9773;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 5 5 -5.30092712 0.05155748 0.00100000 F 0.01268587 0.00066667 F 0.05155748 0.01268587 0.16249099 0.01000000 F 0.05381009 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6155,.0079,1.0216;.0353,2.1393,-.7678;.0283,-2.145,-.7529;2.438,-.0047,-.2766;-1.5464,1.4606,.0161;-1.5517,-1.4456,.0237;1.4789,1.5254,.1379;1.4722,-1.5286,.1488;-.3875,.0226,2.0905;.0864,1.6574,-2.3422;.0824,-1.6837,-2.3327;2.9207,-.0119,-1.8535;-3.1764,.0008,1.9666;-.0146,3.8057,-.7022;-.0319,-3.8098,-.6649;3.7784,-.0042,.7162;-3.0389,.14,2.9238;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 6 6 -5.30807084 0.02460759 0.00100000 F 0.00875078 0.00066667 F 0.02460759 0.00875078 0.15723725 0.01000000 F 0.05338935 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6276,.0155,1.0591;.052,2.1502,-.7447;.0388,-2.1512,-.7231;2.4848,-.0053,-.347;-1.5033,1.4606,.0556;-1.5126,-1.4341,.0674;1.5294,1.51,.0641;1.5187,-1.5105,.0796;-.4361,.026,2.1814;.0254,1.7289,-2.3464;.0185,-1.7556,-2.3309;2.9892,-.016,-1.9264;-3.2526,.0138,1.8882;.0226,3.8101,-.598;-.0054,-3.8076,-.5487;3.8121,-.0049,.6606;-3.1962,.0961,2.8616;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 7 7 -5.31191078 0.02970783 0.00100000 F 0.00997781 0.00066667 F 0.02970783 0.00997781 0.15761728 0.01000000 F 0.05783864 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.642,.0248,1.1037;.0684,2.1687,-.7246;.0487,-2.1639,-.6941;2.5348,-.006,-.4163;-1.4555,1.4586,.098;-1.4685,-1.4196,.1142;1.5776,1.4972,-.0151;1.5631,-1.495,.0059;-.5131,.0282,2.2849;-.0308,1.8311,-2.3426;-.044,-1.8576,-2.3184;3.0482,-.02,-1.9933;-3.3193,.03,1.8049;.0617,3.811,-.4919;.022,-3.8009,-.4292;3.86,-.0057,.583;-3.3538,.0452,2.7833;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 8 8 -5.31515818 0.02374078 0.00100000 F 0.00725367 0.00066667 F 0.02374078 0.00725367 0.10649459 0.01000000 F 0.04473713 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6551,.0317,1.1346;.0813,2.1928,-.7119;.0567,-2.1839,-.6748;2.5742,-.0068,-.466;-1.4188,1.4572,.1282;-1.4342,-1.4092,.1465;1.6114,1.4927,-.0733;1.5943,-1.4892,-.0487;-.593,.0299,2.364;-.0647,1.9305,-2.3358;-.0827,-1.9568,-2.3047;3.0747,-.0225,-2.044;-3.3608,.0433,1.7472;.0888,3.8193,-.4123;.0412,-3.8032,-.3386;3.9047,-.0067,.521;-3.4603,.0069,2.721;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 9 9 -5.31701838 0.01561955 0.00100000 F 0.00395837 0.00066667 F 0.01561955 0.00395837 0.13009528 0.01000000 F 0.04723242 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6706,.0372,1.1531;.0946,2.2348,-.7012;.0656,-2.2225,-.6588;2.6109,-.0078,-.5137;-1.3827,1.4588,.1527;-1.3998,-1.4039,.1714;1.6402,1.4954,-.129;1.621,-1.4912,-.1018;-.6863,.0315,2.4353;-.0905,2.0605,-2.3277;-.1134,-2.0869,-2.2901;3.0828,-.0243,-2.0957;-3.3957,.0552,1.6963;.1151,3.8437,-.3219;.0618,-3.8217,-.2382;3.9516,-.0079,.4611;-3.5469,-.0249,2.6604;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 10 10 -5.31866507 0.01264929 0.00100000 F 0.00361415 0.00066667 F 0.01264929 0.00361415 0.03929348 0.01000000 F 0.01281063 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6744,.0365,1.1527;.0975,2.2532,-.6958;.0687,-2.2413,-.6534;2.6163,-.0079,-.5219;-1.3728,1.4589,.1581;-1.3896,-1.405,.1759;1.6432,1.4983,-.1388;1.6245,-1.4943,-.1122;-.7026,.0317,2.4476;-.0953,2.0994,-2.3255;-.1186,-2.1261,-2.2871;3.0764,-.0242,-2.1077;-3.406,.0554,1.6803;.1196,3.8577,-.2948;.0675,-3.8356,-.2116;3.965,-.0081,.4429;-3.5617,-.0226,2.6435;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 11 11 -5.31907112 0.00944499 0.00100000 F 0.00239669 0.00066667 F 0.00944499 0.00239669 0.03640568 0.01000000 F 0.01213201 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6763,.0326,1.1417;.0991,2.2759,-.6885;.0724,-2.2662,-.6482;2.6124,-.0076,-.5244;-1.3669,1.4597,.1575;-1.3827,-1.4107,.1734;1.6389,1.5027,-.1381;1.6219,-1.4994,-.1137;-.7043,.0306,2.4448;-.0943,2.135,-2.323;-.1163,-2.1625,-2.2861;3.0588,-.0229,-2.116;-3.413,.0502,1.6672;.121,3.8776,-.2692;.0737,-3.8578,-.1906;3.9692,-.0077,.4312;-3.556,-.0033,2.634;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 12 12 -5.31939185 0.00323954 0.00100000 F 0.00104796 0.00066667 F 0.00323954 0.00104796 0.01537078 0.01000000 F 0.00511994 0.00666667 T Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6761,.0307,1.1362;.0993,2.2841,-.6854;.0738,-2.2755,-.6463;2.6089,-.0074,-.5257;-1.3644,1.4594,.1559;-1.3798,-1.4128,.1705;1.6356,1.5032,-.1373;1.6194,-1.5004,-.1138;-.7074,.029,2.4412;-.0929,2.1498,-2.3202;-.1131,-2.1779,-2.2844;3.0509,-.0221,-2.1181;-3.4131,.0472,1.663;.1218,3.884,-.2588;.0767,-3.8652,-.1822;3.9679,-.0075,.4264;-3.5498,.0075,2.6314;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 13 13 -5.31947263 0.00291153 0.00100000 F 0.00086065 0.00066667 F 0.00291153 0.00086065 0.02551079 0.01000000 F 0.00898316 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6746,.0271,1.1274;.0996,2.2959,-.6789;.0765,-2.2891,-.642;2.6013,-.007,-.5299;-1.3607,1.4587,.152;-1.3758,-1.4166,.1646;1.6295,1.502,-.1349;1.6146,-1.5,-.1132;-.7121,.0261,2.4346;-.0897,2.1748,-2.3143;-.1075,-2.2034,-2.2802;3.0367,-.0206,-2.1232;-3.4129,.0404,1.654;.1249,3.892,-.2383;.0836,-3.875,-.1655;3.9644,-.007,.4157;-3.5401,.0278,2.6245;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 14 14 -5.31956202 0.00133539 0.00100000 F 0.00049066 0.00066667 T 0.00133539 0.00049066 0.01490005 0.01000000 F 0.00486146 0.00666667 T Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6739,.0259,1.1245;.1001,2.3019,-.6753;.078,-2.2957,-.6391;2.5988,-.0068,-.5337;-1.3577,1.4582,.1512;-1.3728,-1.4177,.163;1.6276,1.5013,-.1357;1.6132,-1.4995,-.1146;-.7159,.0251,2.4341;-.0891,2.1896,-2.311;-.1064,-2.2183,-2.2773;3.0306,-.0201,-2.1278;-3.4136,.0378,1.6476;.1273,3.8955,-.2262;.0873,-3.879,-.1546;3.964,-.0068,.4087;-3.5399,.035,2.6184;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 15 15 -5.31959576 0.00142184 0.00100000 F 0.00058035 0.00066667 T 0.00142184 0.00058035 0.01412340 0.01000000 F 0.00516159 0.00666667 T Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6735,.0246,1.1231;.1012,2.3048,-.6703;.0799,-2.2991,-.6349;2.5972,-.0067,-.5393;-1.3561,1.4574,.1501;-1.3713,-1.4184,.1609;1.6274,1.4993,-.1358;1.6133,-1.4978,-.1152;-.7194,.0243,2.4353;-.0883,2.2028,-2.3067;-.1048,-2.2318,-2.2736;3.0237,-.0197,-2.1352;-3.4151,.0351,1.6397;.1305,3.8958,-.212;.0918,-3.8797,-.1416;3.9658,-.0068,.398;-3.5447,.042,2.61;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 16 16 -5.31964012 0.00102648 0.00100000 F 0.00044818 0.00066667 T 0.00102648 0.00044818 0.03505076 0.01000000 F 0.01276910 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6736,.0219,1.12;.1042,2.3107,-.6581;.085,-2.306,-.6244;2.5946,-.0065,-.5537;-1.3534,1.4559,.1475;-1.369,-1.4201,.1561;1.6285,1.4946,-.1361;1.6152,-1.4937,-.1165;-.7289,.0226,2.439;-.0861,2.2343,-2.2961;-.1005,-2.2637,-2.2644;3.006,-.0188,-2.1544;-3.4198,.0292,1.6204;.1388,3.8949,-.177;.103,-3.8797,-.1092;3.9726,-.0068,.3701;-3.5589,.0573,2.5893;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 17 17 -5.31967955 0.00225676 0.00100000 F 0.00071785 0.00066667 F 0.00225676 0.00071785 0.03643844 0.01000000 F 0.01345494 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6762,.0201,1.1156;.1082,2.319,-.6465;.0901,-2.3148,-.614;2.5945,-.0063,-.568;-1.3511,1.4551,.1448;-1.367,-1.4213,.1515;1.6314,1.492,-.1376;1.6186,-1.4914,-.1185;-.742,.0213,2.4423;-.083,2.2697,-2.2859;-.096,-2.2994,-2.2547;2.987,-.0185,-2.1738;-3.4258,.0256,1.6023;.1468,3.8953,-.1406;.1128,-3.8801,-.0743;3.9831,-.007,.3401;-3.5737,.0669,2.5694;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 18 18 -5.31975558 0.00283291 0.00100000 F 0.00085732 0.00066667 F 0.00283291 0.00085732 0.29661369 0.01000000 F 0.11120278 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.7006,.0056,1.0725;.1439,2.3811,-.5496;.1353,-2.3816,-.5273;2.5876,-.0055,-.6838;-1.3395,1.4559,.1168;-1.3577,-1.4379,.1065;1.6585,1.4733,-.1442;1.6487,-1.4744,-.1288;-.8473,.011,2.4553;-.0463,2.5525,-2.1837;-.0459,-2.5849,-2.1579;2.8061,-.0166,-2.3241;-3.4715,-.002,1.4568;.2147,3.8773,.1561;.1944,-3.8622,.2109;4.0641,-.0078,.0758;-3.687,.1423,2.4011;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 19 19 -5.32006300 0.00966585 0.00100000 F 0.00300454 0.00066667 F 0.00966585 0.00300454 0.05734880 0.01000000 F 0.02188191 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6944,.0091,1.0774;.1356,2.3741,-.5677;.1245,-2.3731,-.5424;2.5874,-.0056,-.6597;-1.3358,1.4501,.1226;-1.3535,-1.4277,.1165;1.6485,1.4783,-.1444;1.6377,-1.4785,-.1278;-.8247,.013,2.4489;-.052,2.5027,-2.2051;-.0551,-2.5347,-2.1772;2.8424,-.0169,-2.2942;-3.4612,.0039,1.4845;.1978,3.8886,.0987;.1735,-3.8733,.1562;4.0476,-.0077,.1302;-3.6605,.1239,2.4357;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 20 20 -5.32018717 0.00335669 0.00100000 F 0.00135467 0.00066667 F 0.00335669 0.00135467 0.04157005 0.01000000 F 0.01551465 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6984,.0102,1.0647;.1419,2.3834,-.5556;.1295,-2.381,-.5289;2.5848,-.0057,-.6715;-1.336,1.45,.1122;-1.3543,-1.4252,.105;1.6523,1.4794,-.1415;1.6405,-1.4784,-.1233;-.8306,.0123,2.4378;-.0391,2.5402,-2.1909;-.0422,-2.572,-2.161;2.8065,-.0177,-2.3101;-3.4662,.0051,1.4683;.2041,3.8852,.1388;.1767,-3.8677,.1978;4.0592,-.0083,.091;-3.671,.1163,2.4192;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 21 21 -5.32030640 0.00226528 0.00100000 F 0.00084689 0.00066667 F 0.00226528 0.00084689 0.29938138 0.01000000 F 0.11436205 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.7175,.0095,.9769;.1863,2.4443,-.4595;.171,-2.4372,-.4304;2.5501,-.0065,-.7639;-1.334,1.4578,.0337;-1.3543,-1.4271,.0126;1.6764,1.4738,-.1183;1.6602,-1.467,-.0933;-.8776,.0036,2.367;.0506,2.8126,-2.0641;.0532,-2.844,-2.0267;2.5418,-.0205,-2.4149;-3.4953,.0004,1.339;.2537,3.8398,.429;.2166,-3.8103,.4929;4.1136,-.0118,-.2083;-3.7372,.1088,2.2807;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 22 22 -5.32072220 0.00751266 0.00100000 F 0.00210906 0.00066667 F 0.00751266 0.00210906 0.29684413 0.01000000 F 0.10885614 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.7245,.0076,.8888;.2285,2.4914,-.3674;.2111,-2.4802,-.3365;2.5017,-.0074,-.8491;-1.3224,1.4647,-.0555;-1.3405,-1.4284,-.0918;1.6948,1.4602,-.0932;1.6749,-1.4478,-.0621;-.9112,-.0052,2.2936;.1444,3.0543,-1.9177;.1527,-3.0844,-1.872;2.273,-.0231,-2.4828;-3.51,-.0069,1.2134;.2943,3.765,.6885;.2486,-3.7237,.7553;4.1244,-.0159,-.5052;-3.7823,.106,2.1459;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 23 23 -5.32085558 0.01466808 0.00100000 F 0.00477079 0.00066667 F 0.01466808 0.00477079 0.10136909 0.01000000 F 0.02954373 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.729,.0066,.8637;.2258,2.4974,-.3392;.207,-2.4864,-.3114;2.4693,-.0112,-.858;-1.3336,1.4656,-.0727;-1.3412,-1.4211,-.122;1.6858,1.4608,-.0708;1.6654,-1.4505,-.0418;-.8954,-.009,2.2545;.2458,3.0494,-1.8944;.1731,-3.1254,-1.8328;2.2335,.0503,-2.4886;-3.5127,-.01,1.2048;.3151,3.792,.689;.2235,-3.7054,.8084;4.1043,-.017,-.5805;-3.7789,.0402,2.1442;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 24 24 -5.32023761 0.01266288 0.00100000 F 0.00473051 0.00066667 F 0.01266288 0.00473051 0.03944372 0.01000000 F 0.01159916 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.7184,.0095,.8592;.2301,2.497,-.3443;.207,-2.4823,-.3162;2.4718,-.0079,-.8511;-1.3169,1.4573,-.0684;-1.3316,-1.4113,-.1199;1.6887,1.4633,-.0712;1.6644,-1.4486,-.0438;-.8851,-.0129,2.2481;.2063,3.0528,-1.8982;.1766,-3.1153,-1.8411;2.216,.0135,-2.4813;-3.5015,-.0001,1.1994;.2926,3.784,.6959;.2143,-3.7073,.797;4.1033,-.0181,-.5533;-3.7601,.0526,2.1416;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 25 25 -5.32122666 0.00975123 0.00100000 F 0.00282867 0.00066667 F 0.00975123 0.00282867 0.03245842 0.01000000 F 0.01383646 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.7097,.0175,.8458;.2368,2.4953,-.351;.2045,-2.4732,-.3175;2.4684,-.0063,-.8397;-1.3101,1.4567,-.0832;-1.3309,-1.4003,-.1305;1.6986,1.4729,-.0644;1.6684,-1.452,-.0351;-.8586,-.0132,2.224;.1903,3.0585,-1.9013;.1859,-3.1067,-1.8418;2.1905,-.0168,-2.4667;-3.4895,.0215,1.2043;.2622,3.7725,.702;.1847,-3.6999,.7938;4.1001,-.0206,-.5381;-3.7339,.0201,2.1515;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 26 26 -5.32157304 0.00993812 0.00100000 F 0.00246267 0.00066667 F 0.00993812 0.00246267 0.07539857 0.01000000 F 0.03065582 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.7072,.0087,.8609;.2442,2.5024,-.3375;.2212,-2.4872,-.3117;2.4728,-.0023,-.8756;-1.2897,1.4642,-.0544;-1.3078,-1.4154,-.1055;1.7106,1.4661,-.0944;1.6853,-1.4491,-.0752;-.9243,-.0172,2.2821;.142,3.1106,-1.8711;.1786,-3.1569,-1.8224;2.1866,-.0394,-2.5044;-3.4959,.0103,1.1507;.2762,3.7423,.7588;.2248,-3.6893,.8256;4.104,-.0172,-.5623;-3.7638,.0955,2.0888;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 27 27 -5.32168045 0.00626366 0.00100000 F 0.00224443 0.00066667 F 0.00626366 0.00224443 0.08043002 0.01000000 F 0.02680178 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.7013,.0167,.8278;.2537,2.5041,-.3249;.2187,-2.48,-.2949;2.4481,-.0026,-.871;-1.2914,1.4676,-.085;-1.3107,-1.402,-.1458;1.7219,1.4772,-.0693;1.6891,-1.4546,-.05;-.8894,-.0217,2.2307;.1915,3.1226,-1.8552;.2032,-3.1825,-1.7903;2.116,-.0247,-2.4905;-3.4863,.0299,1.145;.2634,3.7388,.7773;.1826,-3.6559,.8689;4.0883,-.0216,-.611;-3.7398,.0151,2.0904;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 28 28 -5.32194198 0.00343627 0.00100000 F 0.00126495 0.00066667 F 0.00343627 0.00126495 0.16327401 0.01000000 F 0.06120634 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6953,.0218,.7738;.2803,2.5262,-.2809;.2355,-2.4931,-.2426;2.4117,-.0034,-.9117;-1.2664,1.4687,-.1447;-1.2867,-1.3941,-.2076;1.7415,1.4783,-.0614;1.7029,-1.4495,-.036;-.8975,-.0228,2.1843;.2453,3.2555,-1.7629;.2562,-3.3021,-1.683;1.9591,-.0362,-2.5012;-3.4831,.0429,1.0757;.2638,3.6764,.9085;.1714,-3.5822,1.0014;4.067,-.0265,-.7742;-3.7481,-.0337,2.0148;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 29 29 -5.32198195 0.00495725 0.00100000 F 0.00198466 0.00066667 F 0.00495725 0.00198466 0.18229890 0.01000000 F 0.06271622 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.699,.0206,.727;.3108,2.5361,-.2092;.2573,-2.4936,-.1669;2.3842,-.0012,-.9868;-1.2052,1.4408,-.1617;-1.2334,-1.3734,-.2384;1.7621,1.4733,-.0778;1.7185,-1.4335,-.0468;-.9411,-.0312,2.1591;.2815,3.3524,-1.6457;.3083,-3.3902,-1.5541;1.823,-.0517,-2.5422;-3.4922,.0473,.9799;.2636,3.6233,1.0368;.1594,-3.5202,1.1266;4.0459,-.0267,-.9565;-3.7859,-.046,1.909;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 30 30 -5.32093008 0.01253725 0.00100000 F 0.00461789 0.00066667 F 0.01253725 0.00461789 0.03160007 0.01000000 F 0.01172531 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6943,.0195,.7282;.3046,2.5364,-.2235;.2563,-2.4989,-.1793;2.3724,-.0042,-.9673;-1.2278,1.4581,-.1776;-1.2473,-1.3878,-.2446;1.7614,1.4758,-.0681;1.7223,-1.4444,-.0385;-.9308,-.0282,2.1564;.3009,3.3504,-1.662;.2914,-3.3977,-1.5667;1.8284,-.0201,-2.5281;-3.4893,.039,.9899;.2784,3.6231,1.0244;.1723,-3.5123,1.1261;4.0313,-.0265,-.9391;-3.7728,-.056,1.922;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 31 31 -5.32184263 0.00464393 0.00100000 F 0.00178460 0.00066667 F 0.00464393 0.00178460 0.04250820 0.01000000 F 0.01492876 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6852,.0249,.7151;.3104,2.5401,-.2258;.2563,-2.4988,-.1772;2.3586,-.0046,-.957;-1.2281,1.4667,-.1927;-1.2475,-1.3874,-.2555;1.7768,1.4893,-.0616;1.7356,-1.4599,-.0337;-.9186,-.0264,2.141;.3139,3.374,-1.6531;.29,-3.4196,-1.5501;1.7871,-.0169,-2.5089;-3.48,.0508,.9806;.2711,3.6052,1.0395;.1576,-3.4842,1.1477;4.0182,-.0287,-.9633;-3.7586,-.0985,1.9073;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 32 32 -5.32188406 0.00385012 0.00100000 F 0.00102658 0.00066667 F 0.00385012 0.00102658 0.05461056 0.01000000 F 0.02187059 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6895,.0222,.733;.3011,2.5341,-.2405;.2526,-2.4971,-.1943;2.3726,-.0045,-.9417;-1.2393,1.4666,-.1711;-1.2586,-1.3932,-.2308;1.7712,1.4912,-.0635;1.7346,-1.4658,-.0378;-.9206,-.0239,2.1585;.2948,3.3318,-1.6882;.2694,-3.3802,-1.5919;1.8417,-.0119,-2.5076;-3.4843,.0414,1.0022;.2719,3.6324,.9965;.1657,-3.5197,1.1031;4.0317,-.0254,-.9093;-3.7573,-.0719,1.9356;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 33 33 -5.32207059 0.00157674 0.00100000 F 0.00056019 0.00066667 T 0.00157674 0.00056019 0.02508513 0.01000000 F 0.00933298 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6891,.0214,.7266;.3045,2.5354,-.2349;.2577,-2.4994,-.1873;2.3668,-.0051,-.9471;-1.2366,1.4665,-.18;-1.2552,-1.3958,-.2353;1.7759,1.4912,-.0637;1.7416,-1.4683,-.0372;-.9274,-.0218,2.1562;.3004,3.3513,-1.6725;.2734,-3.3946,-1.5772;1.8173,-.012,-2.5066;-3.4853,.0374,.9877;.275,3.6173,1.0162;.1736,-3.5093,1.12;4.026,-.0246,-.9344;-3.7612,-.0634,1.9217;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 34 34 -5.32206984 0.00179811 0.00100000 F 0.00063977 0.00066667 T 0.00179811 0.00063977 0.05019915 0.01000000 F 0.01780895 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6876,.0201,.7125;.3112,2.5366,-.2221;.2667,-2.5023,-.1728;2.3537,-.0059,-.9567;-1.2308,1.4666,-.1966;-1.2471,-1.3993,-.2462;1.7847,1.4915,-.062;1.7542,-1.473,-.0356;-.9369,-.0193,2.1479;.3153,3.383,-1.6419;.2835,-3.4221,-1.5464;1.7674,-.0091,-2.5028;-3.4859,.0309,.9607;.2795,3.592,1.0512;.1833,-3.4882,1.1524;4.0125,-.023,-.9846;-3.7661,-.0524,1.8952;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 35 35 -5.32198907 0.00387674 0.00100000 F 0.00111793 0.00066667 F 0.00387674 0.00111793 0.04937623 0.01000000 F 0.01672770 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6888,.0184,.7025;.3178,2.536,-.2072;.2768,-2.5042,-.1581;2.3452,-.0062,-.9698;-1.2226,1.4642,-.2052;-1.2373,-1.4024,-.2492;1.7933,1.4908,-.0642;1.7674,-1.4767,-.0388;-.952,-.0162,2.1452;.3245,3.4086,-1.6111;.2928,-3.4441,-1.5181;1.7248,-.0092,-2.5024;-3.4893,.0239,.9322;.2843,3.5687,1.084;.1962,-3.4715,1.1805;4.0029,-.0208,-1.0339;-3.7785,-.0331,1.8658;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 36 36 -5.32200663 0.00434700 0.00100000 F 0.00120989 0.00066667 F 0.00434700 0.00120989 0.07979479 0.01000000 F 0.02835654 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6935,.0141,.694;.3283,2.5328,-.1839;.2965,-2.5089,-.1382;2.3376,-.0064,-.9938;-1.2088,1.4574,-.2099;-1.2205,-1.4106,-.2395;1.8077,1.4878,-.0723;1.7924,-1.4829,-.0506;-.9868,-.0063,2.1519;.3288,3.4471,-1.5611;.304,-3.4763,-1.4787;1.6617,-.014,-2.5023;-3.498,.0093,.8818;.2967,3.5254,1.1381;.2313,-3.4476,1.2212;3.9923,-.0147,-1.1137;-3.8119,.0201,1.8092;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 37 37 -5.32199389 0.00477584 0.00100000 F 0.00129702 0.00066667 F 0.00477584 0.00129702 0.00943607 0.01000000 T 0.00329420 0.00666667 T Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.6964,.0136,.692;.3291,2.5277,-.1775;.2991,-2.5054,-.1338;2.3371,-.0062,-.9971;-1.2077,1.455,-.2069;-1.2179,-1.4101,-.2372;1.8097,1.4868,-.0715;1.7962,-1.4835,-.0523;-.9891,-.0049,2.1496;.3326,3.4378,-1.5573;.3071,-3.4722,-1.4747;1.6572,-.0105,-2.5037;-3.501,.0093,.8788;.2964,3.5276,1.1392;.2307,-3.4487,1.2223;3.9915,-.0137,-1.1232;-3.8168,.0235,1.8054;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 38 38 -5.32202263 0.00265386 0.00100000 F 0.00086913 0.00066667 F 0.00265386 0.00086913 0.05770698 0.01000000 F 0.02082903 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.7016,.0143,.7092;.321,2.5243,-.1924;.2927,-2.5031,-.1502;2.3549,-.0058,-.9876;-1.2176,1.4526,-.1897;-1.2278,-1.4095,-.219;1.8005,1.4846,-.072;1.7863,-1.4787,-.0526;-.984,-.002,2.162;.3142,3.4007,-1.5938;.2949,-3.4362,-1.5143;1.7149,-.0145,-2.5115;-3.5053,.0157,.9095;.2919,3.5532,1.1023;.2279,-3.4796,1.1829;4.0125,-.0142,-1.0677;-3.8176,.0244,1.8373;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 39 39 -5.32210966 0.00108220 0.00100000 F 0.00040274 0.00066667 T 0.00108220 0.00040274 0.01401590 0.01000000 F 0.00483783 0.00666667 T Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.7006,.0146,.7059;.3229,2.5252,-.1899;.2948,-2.5042,-.1478;2.3516,-.006,-.9897;-1.2154,1.4523,-.1936;-1.2252,-1.4096,-.221;1.8027,1.4845,-.0711;1.7889,-1.4794,-.0523;-.9862,-.0009,2.1602;.3182,3.4098,-1.5861;.2977,-3.445,-1.5068;1.7009,-.0142,-2.5091;-3.5047,.0162,.9023;.2928,3.5458,1.1113;.2297,-3.4721,1.1916;4.0085,-.0141,-1.0812;-3.819,.0233,1.8294;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 40 40 -5.32210981 0.00107790 0.00100000 F 0.00030988 0.00066667 T 0.00107790 0.00030988 0.01642665 0.01000000 F 0.00559606 0.00666667 T Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.7006,.0155,.7028;.3256,2.5247,-.1857;.2986,-2.5053,-.1449;2.3476,-.0064,-.9936;-1.2128,1.4516,-.1982;-1.2213,-1.4107,-.2199;1.8057,1.4832,-.0694;1.7931,-1.4799,-.0524;-.9915,.0026,2.1597;.3241,3.418,-1.5763;.3008,-3.4536,-1.4988;1.6851,-.0135,-2.5083;-3.5054,.0187,.8935;.293,3.5377,1.1211;.2339,-3.4645,1.2004;4.0037,-.014,-1.0976;-3.8221,.0222,1.8198;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 41 41 -5.32209313 0.00101969 0.00100000 F 0.00027361 0.00066667 T 0.00101969 0.00027361 0.00751207 0.01000000 T 0.00246056 0.00666667 T Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.701,.016,.702;.3268,2.5239,-.1836;.3009,-2.5057,-.1436;2.346,-.0067,-.9956;-1.2116,1.4509,-.2001;-1.2192,-1.4115,-.2177;1.807,1.4821,-.0683;1.7955,-1.4802,-.0525;-.9949,.0053,2.1603;.3267,3.4204,-1.5722;.3022,-3.4561,-1.4962;1.6783,-.0132,-2.5081;-3.5063,.0199,.8895;.2927,3.5344,1.125;.237,-3.4628,1.2031;4.0018,-.0138,-1.1051;-3.8242,.0231,1.8153;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 42 42 -5.32209655 0.00085062 0.00100000 T 0.00026352 0.00066667 T 0.00085062 0.00026352 0.05032205 0.01000000 F 0.01627960 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.7022,.0183,.6948;.3343,2.5211,-.1711;.3141,-2.5087,-.1333;2.3349,-.0076,-1.0064;-1.2033,1.4471,-.2129;-1.2069,-1.4165,-.2083;1.8147,1.4778,-.063;1.8098,-1.4828,-.0527;-1.0137,.0204,2.1616;.3417,3.4394,-1.5452;.3114,-3.4732,-1.476;1.6314,-.0128,-2.5027;-3.51,.0236,.8617;.2945,3.5099,1.1535;.2553,-3.4521,1.2229;3.9875,-.0108,-1.1555;-3.8359,.0331,1.7847;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 43 43 -5.32209999 0.00141240 0.00100000 F 0.00043027 0.00066667 T 0.00141240 0.00043027 0.01069682 0.01000000 F 0.00343007 0.00666667 T Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.7036,.0187,.6948;.3361,2.5201,-.1677;.317,-2.5089,-.1298;2.3341,-.008,-1.0101;-1.2011,1.4461,-.2127;-1.2044,-1.4169,-.2039;1.8167,1.477,-.064;1.813,-1.4837,-.0541;-1.0198,.0232,2.1638;.3436,3.4419,-1.5397;.3124,-3.4736,-1.4723;1.6244,-.013,-2.5033;-3.5119,.0235,.8552;.2956,3.5066,1.1586;.2606,-3.4523,1.2266;3.9861,-.0105,-1.1661;-3.8413,.0361,1.777;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 44 44 -5.32210439 0.00115779 0.00100000 F 0.00031592 0.00066667 T 0.00115779 0.00031592 0.00772624 0.01000000 T 0.00296691 0.00666667 T Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.7052,.0197,.6987;.3363,2.5202,-.1689;.317,-2.5087,-.1289;2.3364,-.0086,-1.0113;-1.2008,1.4462,-.209;-1.2051,-1.4162,-.1974;1.8163,1.4769,-.0669;1.8125,-1.4842,-.0553;-1.0242,.0251,2.169;.3414,3.4391,-1.5429;.3096,-3.4659,-1.4765;1.6314,-.0142,-2.5063;-3.5136,.0236,.8553;.297,3.5092,1.1557;.2647,-3.4593,1.223;3.9889,-.0113,-1.1625;-3.8449,.0344,1.7764;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 45 45 -5.32212545 0.00053435 0.00100000 T 0.00015336 0.00066667 T 0.00053435 0.00015336 0.02096075 0.01000000 F 0.00680742 0.00666667 F Cartesian 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.7055,.0214,.697;.3399,2.5196,-.1647;.3221,-2.5099,-.1236;2.3321,-.0092,-1.0158;-1.1966,1.445,-.2131;-1.2002,-1.4176,-.1911;1.8197,1.4754,-.0662;1.8178,-1.4851,-.0552;-1.0339,.0321,2.1717;.3468,3.4476,-1.5326;.3119,-3.4701,-1.469;1.6126,-.015,-2.5038;-3.5149,.0255,.8424;.2993,3.499,1.167;.2744,-3.4574,1.2307;3.983,-.0105,-1.1834;-3.8507,.0353,1.7619;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 46 46 CONVERGED -5.32212487 0.00072811 0.00100000 T 0.00018567 0.00066667 T 0.00072811 0.00018567 0.00348225 0.01000000 T 0.00138206 0.00666667 T NOSYM -3 V V V V O O O O O O O O O O O O H 50.94396300 50.94396300 50.94396300 50.94396300 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 1.00782500 1826.23 412.17 2348.94 1.359972 8.526 39.311 41.674 42.280 52.000 56.679 101.202 143.455 157.416 172.075 181.508 187.577 189.771 197.017 209.835 224.344 235.963 240.827 269.983 273.885 309.553 314.596 323.807 336.441 348.049 351.062 353.818 476.132 493.047 520.609 549.065 653.353 657.348 707.133 759.340 761.206 809.499 907.206 918.682 918.922 923.695 930.287 941.109 988.556 3659.994 V V V V O O O O O O O O O O O O H -0.059 -0.000 -0.082 0.071 -0.002 0.096 0.071 0.002 0.096 -0.048 -0.001 -0.111 0.075 0.001 -0.004 0.075 -0.002 -0.002 0.078 -0.005 -0.036 0.078 0.002 -0.040 -0.287 0.002 0.022 0.055 0.152 0.199 0.050 -0.150 0.203 -0.252 0.002 -0.013 -0.083 -0.002 -0.370 0.089 -0.151 0.206 0.093 0.156 0.203 -0.070 -0.002 -0.334 -0.231 -0.008 -0.424 0.138 -0.004 -0.135 0.006 0.018 0.007 0.002 -0.019 0.010 -0.148 0.004 0.105 0.023 -0.006 -0.209 0.003 -0.022 -0.190 0.004 0.021 0.164 -0.013 -0.000 0.174 0.367 0.000 -0.241 0.179 0.061 0.036 0.182 -0.050 0.030 -0.405 0.005 0.229 0.162 0.013 0.154 -0.176 -0.021 0.028 -0.163 0.007 0.022 -0.176 -0.006 -0.169 0.309 0.026 0.207 0.032 -0.015 -0.065 -0.051 -0.014 0.021 -0.078 -0.014 0.053 0.061 0.029 -0.077 0.033 -0.119 -0.236 -0.153 -0.116 -0.009 0.027 0.076 -0.177 -0.147 0.086 -0.101 0.216 0.062 -0.152 -0.098 0.270 0.213 -0.069 -0.147 0.148 0.290 0.040 -0.189 0.051 0.124 0.164 -0.148 -0.295 0.223 0.020 0.119 0.151 0.085 -0.071 0.167 0.168 0.252 0.205 -0.021 -0.013 0.035 0.046 -0.030 -0.046 0.011 -0.029 0.013 -0.020 0.048 0.030 0.183 -0.211 -0.165 -0.134 -0.207 0.294 0.175 0.142 -0.019 -0.117 0.140 0.130 -0.111 0.161 0.076 0.008 0.028 -0.008 0.057 0.217 -0.161 -0.115 0.056 0.076 -0.030 0.224 -0.080 -0.128 -0.090 -0.009 0.194 -0.285 -0.158 -0.030 -0.124 -0.070 -0.087 0.475 -0.103 0.002 0.103 -0.003 -0.033 -0.085 0.017 0.029 -0.084 -0.015 -0.001 0.020 -0.000 -0.103 0.015 -0.205 0.101 0.018 0.196 -0.138 -0.211 0.293 0.130 -0.214 -0.296 0.009 0.395 -0.008 0.276 -0.115 -0.001 -0.277 -0.119 0.011 0.006 0.278 -0.004 0.003 -0.020 0.007 -0.193 -0.054 -0.011 0.192 -0.044 0.018 0.000 0.206 0.006 0.008 0.186 0.007 -0.003 -0.129 0.005 0.103 -0.023 -0.012 -0.097 -0.021 0.008 -0.001 0.153 0.002 0.176 -0.137 0.106 -0.174 -0.138 -0.090 0.176 0.095 0.202 -0.170 0.093 -0.194 -0.012 -0.347 0.011 0.092 -0.243 -0.160 -0.086 -0.218 0.147 -0.009 0.493 0.005 -0.004 0.107 -0.008 -0.005 0.191 -0.172 0.016 0.177 0.150 -0.002 -0.009 -0.006 -0.009 0.001 -0.009 -0.168 0.001 0.016 0.007 -0.283 0.003 0.010 0.284 -0.003 0.156 -0.001 -0.034 -0.142 -0.076 -0.076 -0.142 0.076 -0.078 0.134 -0.107 0.091 0.137 0.105 0.091 0.025 -0.000 -0.072 0.116 -0.289 0.005 0.118 0.288 -0.002 -0.056 -0.003 0.066 -0.156 0.003 0.250 -0.094 -0.291 0.001 -0.093 0.293 -0.005 0.142 -0.000 -0.234 -0.029 0.008 0.296 -0.002 -0.038 -0.001 -0.039 0.024 0.033 0.040 0.022 -0.032 -0.003 -0.048 -0.002 0.074 -0.074 0.018 -0.080 -0.080 -0.014 -0.174 -0.131 0.048 0.165 -0.126 -0.044 -0.001 -0.220 -0.001 -0.024 -0.037 -0.011 0.037 -0.035 0.012 0.002 -0.250 -0.003 -0.000 0.622 -0.002 -0.069 0.061 0.013 0.084 0.057 -0.014 -0.002 0.303 0.003 0.004 0.507 0.001 0.101 0.000 0.102 -0.013 -0.019 -0.076 -0.009 0.017 -0.081 0.114 -0.002 0.123 0.130 -0.130 -0.035 0.134 0.130 -0.040 0.174 0.176 -0.075 0.179 -0.186 -0.079 0.005 -0.002 0.156 -0.366 0.085 -0.013 -0.359 -0.088 -0.010 -0.104 -0.001 0.238 0.087 0.021 -0.193 -0.298 -0.135 -0.006 -0.282 0.146 -0.008 0.092 -0.002 -0.137 -0.095 0.013 -0.259 -0.002 0.052 -0.004 -0.041 -0.067 0.081 0.041 -0.070 -0.078 -0.000 -0.006 0.001 -0.109 0.089 0.053 0.105 0.082 -0.053 0.045 0.010 0.014 -0.045 0.011 -0.013 0.001 0.233 -0.007 -0.323 -0.200 0.000 0.323 -0.201 0.003 -0.001 0.164 0.000 -0.002 0.240 0.002 0.053 0.041 0.010 -0.040 0.036 -0.011 -0.000 -0.254 0.001 0.004 0.651 0.000 -0.162 -0.001 -0.156 0.022 0.050 -0.023 0.022 -0.043 -0.024 0.094 -0.002 0.148 -0.072 0.090 0.004 -0.078 -0.091 0.007 0.110 0.136 -0.061 0.113 -0.140 -0.063 -0.021 -0.006 -0.238 -0.210 0.113 0.020 -0.225 -0.102 0.021 -0.131 -0.005 0.268 -0.151 -0.005 0.308 0.318 0.052 -0.021 0.337 -0.044 -0.020 0.081 -0.010 -0.078 0.155 -0.007 0.419 -0.000 -0.024 -0.005 0.022 -0.075 -0.073 -0.023 -0.073 0.079 0.005 0.046 0.002 -0.002 -0.034 -0.023 -0.001 -0.038 0.022 0.021 -0.007 -0.055 -0.016 -0.009 0.054 0.006 0.093 -0.009 -0.128 0.012 -0.022 0.095 0.016 0.023 -0.002 0.186 0.006 -0.000 0.015 -0.003 0.411 -0.197 0.020 -0.401 -0.201 -0.014 0.005 0.542 -0.010 0.001 0.436 -0.007 0.089 0.002 -0.104 -0.030 -0.050 0.159 -0.026 0.055 0.161 0.017 -0.001 -0.037 -0.044 0.052 -0.029 -0.036 -0.042 -0.032 -0.012 -0.048 0.043 -0.010 0.047 0.039 0.294 -0.015 -0.193 -0.325 -0.303 0.003 -0.331 0.312 -0.002 0.031 0.002 -0.041 0.084 0.006 -0.326 0.077 0.156 0.027 0.105 -0.162 0.032 0.015 -0.017 -0.064 -0.135 -0.059 -0.405 -0.002 0.042 0.001 -0.026 -0.021 -0.083 0.027 -0.020 0.078 -0.001 -0.017 0.001 -0.098 0.094 0.035 0.100 0.094 -0.037 -0.031 -0.039 -0.002 0.030 -0.040 0.001 -0.004 -0.199 0.003 -0.003 0.099 -0.008 0.014 0.090 0.006 -0.001 0.219 -0.000 -0.001 0.183 0.005 -0.037 -0.143 -0.005 0.037 -0.137 0.007 -0.001 -0.114 0.004 0.002 -0.862 0.017 0.076 -0.002 0.065 -0.009 -0.107 -0.112 -0.010 0.110 -0.112 -0.175 -0.000 0.084 -0.025 -0.040 -0.030 -0.035 0.030 -0.026 -0.038 -0.033 0.036 -0.035 0.030 0.035 0.117 0.004 0.056 -0.074 0.011 -0.048 -0.061 0.000 -0.049 -0.137 0.005 0.045 0.074 -0.008 -0.223 0.378 -0.314 0.036 0.373 0.315 0.029 -0.151 -0.003 0.399 -0.157 0.026 -0.307 -0.000 -0.038 -0.000 -0.017 0.025 -0.024 0.018 0.025 0.026 0.000 -0.024 -0.000 0.014 -0.009 0.023 -0.013 -0.009 -0.022 -0.061 -0.055 0.016 0.061 -0.056 -0.016 -0.001 -0.021 0.000 0.002 0.074 0.003 -0.001 0.076 -0.004 0.001 0.099 -0.001 -0.000 -0.045 0.001 0.014 0.008 -0.012 -0.019 0.005 0.012 -0.000 -0.089 -0.001 0.002 0.973 -0.009 -0.000 0.003 -0.000 -0.008 -0.044 -0.011 0.008 -0.043 0.010 -0.002 0.047 -0.000 -0.089 0.108 0.096 0.093 0.108 -0.099 0.085 0.092 -0.049 -0.082 0.091 0.048 -0.001 -0.068 0.000 0.112 -0.048 -0.014 -0.113 -0.047 0.015 -0.001 -0.099 -0.000 -0.000 0.020 0.001 -0.077 -0.080 0.012 0.081 -0.077 -0.010 -0.002 0.058 0.003 0.002 0.909 -0.008 -0.063 -0.001 -0.075 0.118 -0.020 0.054 0.116 0.022 0.053 -0.200 -0.001 -0.048 0.248 -0.167 -0.126 0.246 0.157 -0.123 0.199 0.129 -0.036 0.196 -0.131 -0.037 -0.173 0.002 -0.036 -0.135 -0.145 -0.025 -0.127 0.147 -0.028 0.047 -0.000 -0.191 -0.062 0.003 0.275 -0.078 0.021 0.028 -0.085 -0.016 0.029 -0.199 0.004 0.300 0.259 -0.024 0.392 -0.001 -0.136 0.002 -0.187 -0.010 0.038 0.185 -0.013 -0.038 -0.000 0.132 -0.000 -0.161 -0.130 -0.104 0.161 -0.124 0.104 -0.089 0.138 -0.090 0.092 0.135 0.086 0.004 0.060 -0.002 0.317 -0.032 0.042 -0.316 -0.028 -0.040 0.001 -0.021 0.000 -0.001 0.214 -0.004 0.319 0.086 -0.011 -0.313 0.090 0.011 -0.000 -0.275 0.001 -0.005 -0.412 0.002 0.135 -0.002 -0.094 -0.011 0.002 -0.010 -0.010 -0.002 -0.010 0.047 0.002 -0.007 0.050 0.012 -0.110 0.050 -0.016 -0.109 -0.156 -0.187 0.156 -0.152 0.192 0.155 -0.407 0.002 0.150 -0.143 -0.020 -0.032 -0.145 0.021 -0.033 -0.001 -0.001 0.022 0.192 0.002 0.198 0.055 -0.048 0.030 0.056 0.049 0.029 0.052 -0.005 -0.090 0.572 -0.002 0.336 -0.128 0.001 0.119 -0.015 0.025 -0.005 -0.019 -0.025 -0.006 0.030 0.000 0.011 0.222 -0.358 -0.224 0.226 0.353 -0.229 -0.150 -0.146 0.159 -0.148 0.147 0.155 0.212 -0.001 -0.028 -0.047 0.111 0.048 -0.043 -0.108 0.049 0.089 -0.001 -0.005 -0.206 0.001 -0.027 0.134 0.098 -0.054 0.136 -0.097 -0.050 0.022 -0.001 -0.167 -0.383 0.004 -0.092 0.085 -0.000 0.037 -0.168 -0.014 0.080 -0.168 0.019 0.081 0.027 -0.002 0.064 -0.039 -0.172 -0.291 -0.038 0.167 -0.296 0.022 0.244 -0.307 0.015 -0.249 -0.305 -0.192 0.003 0.184 0.220 -0.151 0.017 0.225 0.148 0.015 -0.021 0.001 0.109 0.131 0.000 0.017 0.177 0.097 0.038 0.176 -0.101 0.037 0.024 0.003 -0.054 0.198 0.001 0.043 0.000 0.081 -0.001 -0.001 0.012 -0.057 0.002 0.014 0.057 0.001 0.254 -0.000 0.028 0.032 -0.113 -0.027 0.034 0.113 -0.034 -0.003 0.444 0.032 -0.010 -0.450 -0.000 -0.176 0.001 -0.132 0.008 -0.087 0.132 0.006 0.089 -0.000 -0.425 0.003 -0.000 -0.069 0.001 0.137 -0.161 0.058 -0.142 -0.162 -0.055 0.000 -0.238 0.000 0.000 0.266 -0.003 -0.000 -0.184 0.001 0.041 -0.043 -0.054 -0.041 -0.039 0.055 0.000 0.039 -0.001 -0.057 -0.034 0.311 0.054 -0.042 -0.309 0.066 -0.018 0.175 -0.066 -0.018 -0.176 0.001 0.408 -0.004 -0.011 0.209 0.112 0.013 0.203 -0.112 -0.002 -0.146 0.001 0.001 0.142 -0.001 -0.036 0.029 -0.151 0.035 0.027 0.145 0.001 -0.000 0.002 -0.000 -0.560 0.006 -0.016 -0.001 -0.009 -0.015 0.081 -0.026 -0.017 -0.081 -0.022 -0.102 0.001 0.163 0.028 0.035 0.068 0.028 -0.035 0.063 -0.022 0.148 0.089 -0.023 -0.147 0.087 0.034 0.003 -0.041 0.027 -0.138 -0.207 0.030 0.137 -0.212 0.530 -0.002 -0.096 -0.023 0.001 0.000 0.042 -0.206 0.200 0.045 0.209 0.197 -0.216 -0.002 -0.488 -0.036 -0.004 -0.004 0.000 0.071 -0.001 -0.003 -0.124 0.019 0.000 -0.127 -0.015 0.002 -0.026 -0.000 -0.136 0.031 -0.232 0.141 0.033 0.235 0.155 -0.013 0.054 -0.161 -0.011 -0.059 -0.000 -0.274 0.001 -0.061 0.189 0.269 0.066 0.190 -0.281 -0.004 -0.054 0.003 -0.000 -0.024 0.001 0.032 0.232 -0.267 -0.029 0.242 0.269 0.003 0.086 0.002 0.002 0.426 -0.003 -0.060 -0.003 -0.012 0.006 0.137 0.011 0.003 -0.132 0.015 0.110 0.000 -0.052 0.195 -0.049 0.085 0.193 0.047 0.075 -0.206 -0.085 -0.177 -0.201 0.084 -0.178 0.092 0.005 -0.098 0.045 -0.221 -0.260 0.046 0.210 -0.257 -0.336 0.001 0.171 -0.105 0.002 0.024 -0.049 -0.166 0.276 -0.045 0.164 0.264 0.185 -0.001 0.197 -0.107 -0.008 0.023 -0.026 0.007 0.138 0.065 0.146 -0.000 0.068 -0.154 0.004 0.047 0.003 -0.124 -0.342 0.054 -0.328 -0.357 -0.055 -0.339 0.183 0.066 0.232 0.192 -0.069 0.233 0.020 0.001 0.164 -0.052 -0.029 -0.130 -0.054 0.029 -0.137 -0.094 -0.001 -0.081 -0.055 -0.002 -0.026 0.015 -0.022 0.132 0.015 0.024 0.139 0.059 -0.002 0.097 -0.305 -0.002 -0.118 -0.000 -0.221 0.004 0.112 0.164 -0.000 -0.110 0.158 -0.004 0.001 -0.197 -0.003 -0.486 -0.030 -0.238 0.467 -0.033 0.230 0.164 0.123 0.190 -0.154 0.118 -0.171 0.000 -0.020 0.003 -0.042 -0.010 -0.144 0.041 -0.008 0.138 -0.003 0.015 -0.003 0.000 0.085 -0.001 0.001 -0.012 0.145 0.000 -0.013 -0.139 0.002 0.080 0.002 -0.003 0.164 -0.003 0.007 0.000 -0.075 -0.253 0.024 -0.021 -0.256 -0.024 -0.019 0.073 0.002 -0.176 0.218 -0.061 0.202 0.212 0.061 0.200 0.271 0.179 0.372 0.283 -0.181 0.372 -0.014 -0.001 -0.115 0.064 0.035 -0.050 0.065 -0.036 -0.051 -0.116 -0.001 -0.154 0.077 -0.001 0.007 0.090 -0.039 0.020 0.091 0.038 0.022 0.114 -0.001 0.096 0.182 0.001 0.045 0.000 0.089 -0.001 -0.278 0.037 -0.015 0.276 0.034 0.013 0.000 -0.324 -0.000 0.247 0.026 0.104 -0.240 0.028 -0.103 0.375 0.153 0.315 -0.377 0.154 -0.303 0.000 0.015 -0.001 0.059 0.034 -0.069 -0.059 0.035 0.067 -0.001 0.022 -0.001 -0.001 -0.026 0.000 0.080 -0.017 0.046 -0.079 -0.016 -0.045 0.001 0.124 -0.000 -0.000 -0.122 0.002 0.002 -0.205 0.001 -0.069 0.067 -0.004 0.069 0.065 0.002 0.001 0.151 -0.002 0.104 0.285 -0.160 -0.105 0.289 0.156 0.335 -0.426 -0.124 -0.336 -0.424 0.136 0.001 0.049 0.001 -0.010 -0.025 -0.023 0.010 -0.024 0.023 -0.000 -0.027 -0.000 -0.010 0.037 -0.002 -0.017 0.013 0.035 0.017 0.012 -0.035 0.000 0.007 0.000 0.025 -0.221 0.014 0.096 0.001 -0.021 0.001 0.001 -0.000 0.000 -0.002 -0.000 0.005 -0.001 -0.008 -0.030 -0.032 0.022 -0.029 0.029 0.020 -0.012 0.025 0.011 -0.008 -0.020 0.010 0.025 0.000 0.049 0.002 -0.005 0.009 0.002 0.006 0.008 -0.001 0.000 0.002 -0.326 -0.000 -0.051 0.002 -0.008 -0.009 0.002 0.008 -0.008 -0.006 -0.000 0.003 0.846 0.004 0.395 0.069 -0.000 -0.015 -0.009 -0.005 -0.000 -0.009 0.005 -0.000 0.000 -0.000 -0.000 0.023 0.035 -0.012 0.022 -0.035 -0.011 0.002 0.003 0.001 0.002 -0.003 0.001 -0.023 0.000 0.007 0.001 -0.004 0.006 0.001 0.004 0.006 -0.000 -0.000 -0.001 -0.131 0.001 0.078 0.001 -0.002 -0.005 0.002 0.002 -0.005 -0.001 -0.000 0.000 -0.955 -0.002 -0.236 0.002 0.230 -0.005 -0.027 0.121 -0.002 0.037 0.125 -0.001 0.003 0.084 -0.006 -0.241 -0.437 0.197 0.228 -0.423 -0.179 0.226 -0.257 -0.063 -0.256 -0.288 0.081 -0.001 -0.049 0.000 0.014 -0.071 0.069 -0.015 -0.075 -0.067 -0.000 -0.017 0.004 0.004 -0.027 0.002 0.005 -0.081 -0.071 -0.005 -0.079 0.071 -0.003 0.004 0.001 -0.021 0.186 -0.011 0.010 -0.008 -0.064 0.100 -0.063 0.007 0.098 0.053 0.005 0.081 -0.003 -0.132 -0.095 -0.153 0.085 -0.111 0.184 0.095 -0.355 0.426 0.142 -0.340 -0.403 0.145 -0.010 0.002 0.005 -0.007 0.031 -0.009 -0.006 -0.026 -0.004 -0.002 0.001 0.093 0.104 0.001 0.032 0.001 0.001 -0.011 0.002 0.003 -0.015 -0.075 -0.000 0.035 -0.406 -0.008 -0.170 -0.059 0.002 0.134 -0.012 -0.080 -0.002 -0.011 0.082 -0.004 0.023 0.000 -0.043 0.248 0.403 -0.196 0.249 -0.411 -0.190 -0.123 0.153 0.046 -0.126 -0.152 0.049 0.021 -0.000 -0.009 -0.007 0.029 -0.023 -0.008 -0.031 -0.023 0.001 0.000 0.030 -0.090 -0.000 -0.046 0.002 0.043 0.033 0.002 -0.043 0.035 -0.015 0.000 0.008 0.536 0.003 0.207 -0.015 -0.000 0.001 0.021 0.065 0.045 0.020 -0.063 0.045 -0.257 0.000 0.009 0.022 0.037 -0.019 0.021 -0.037 -0.018 -0.079 0.119 0.037 -0.080 -0.117 0.039 0.016 0.000 0.030 -0.003 -0.083 0.105 -0.002 0.087 0.104 0.019 -0.000 -0.025 0.008 -0.000 -0.001 0.005 -0.185 -0.240 0.007 0.177 -0.241 0.803 -0.001 -0.088 0.016 -0.000 0.002 0.009 0.000 -0.000 -0.016 -0.033 0.212 -0.015 0.038 0.235 -0.036 -0.001 -0.102 -0.009 -0.007 -0.012 -0.009 0.006 -0.015 0.063 -0.071 -0.039 0.063 0.070 -0.043 -0.006 0.000 -0.005 0.006 0.276 -0.420 0.000 -0.309 -0.448 0.159 0.001 0.344 -0.012 -0.000 0.001 0.004 -0.140 -0.221 0.006 0.161 -0.263 -0.082 0.000 0.024 -0.005 0.000 0.004 0.001 -0.008 0.000 -0.005 0.015 0.266 0.003 0.013 -0.246 -0.002 0.000 -0.007 0.006 0.015 -0.028 -0.007 0.017 0.026 -0.002 -0.006 -0.030 0.010 0.004 0.025 -0.000 -0.002 -0.001 0.005 0.240 -0.384 -0.000 0.220 0.336 0.010 0.005 0.022 -0.001 0.001 0.000 0.010 -0.290 -0.418 -0.011 -0.269 0.406 -0.006 -0.001 0.002 -0.000 -0.003 0.000 0.022 0.001 0.002 -0.007 -0.066 -0.109 -0.007 0.061 -0.107 -0.193 -0.000 -0.197 -0.033 -0.044 0.031 -0.031 0.042 0.029 0.084 -0.064 0.006 0.083 0.061 0.005 -0.026 -0.000 -0.050 -0.000 0.013 0.011 -0.000 -0.010 0.014 0.319 0.002 0.643 -0.012 -0.000 0.001 -0.009 0.232 0.312 -0.010 -0.216 0.306 0.226 -0.000 0.003 -0.016 0.000 -0.000 -0.000 -0.063 0.001 0.002 0.160 -0.022 -0.000 0.161 0.015 -0.001 -0.047 -0.002 0.076 0.115 -0.050 -0.076 0.118 0.049 -0.080 0.101 0.038 0.082 0.102 -0.040 -0.000 0.010 -0.000 -0.004 -0.294 0.399 -0.002 -0.301 -0.389 0.003 0.008 0.007 0.000 0.004 -0.000 0.012 -0.272 -0.332 -0.014 -0.266 0.343 -0.001 0.004 0.000 -0.000 -0.013 0.000 -0.039 0.000 -0.004 -0.021 0.141 -0.016 -0.023 -0.143 -0.012 0.060 -0.000 -0.157 0.062 0.069 -0.029 0.062 -0.071 -0.028 0.020 -0.028 0.004 0.019 0.027 0.004 0.045 0.001 0.079 0.000 -0.228 0.308 0.004 0.238 0.305 0.186 0.002 0.437 0.026 -0.000 -0.002 0.010 -0.215 -0.262 0.012 0.212 -0.271 -0.372 0.000 0.060 0.025 -0.000 -0.003 0.135 0.002 0.267 0.014 0.027 0.005 0.014 -0.027 0.006 0.010 0.000 -0.005 -0.058 -0.061 0.004 -0.058 0.061 0.003 -0.013 0.011 0.001 -0.014 -0.011 0.001 -0.384 -0.006 -0.834 -0.001 -0.030 0.038 -0.000 0.031 0.038 0.000 0.000 0.008 -0.010 -0.000 -0.029 -0.000 -0.039 -0.052 0.000 0.038 -0.053 -0.025 0.000 0.003 0.183 0.000 0.039 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.023 -0.001 -0.058 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 -0.355 0.010 0.933 8.525513 39.311045 41.673594 42.279621 51.999571 56.679179 101.202317 143.455058 157.415676 172.075442 181.507955 187.576831 189.770821 197.016555 209.835053 224.343613 235.962840 240.827094 269.982863 273.885016 309.552883 314.596003 323.807136 336.441367 348.048780 351.061801 353.818308 476.132144 493.047325 520.609419 549.065282 653.352755 657.348402 707.132845 759.339894 761.206244 809.498790 907.205780 918.681581 918.922443 923.695420 930.286527 941.109397 988.556322 3659.993761 0.000000 186.853580 196.186265 178.589599 21.758886 41.960573 22.221473 14.322742 227.303684 25.341614 2.485965 45.321764 18.667936 390.830876 257.034124 701.692050 130.728409 107.709639 12.125688 361.817633 142.776475 703.037821 498.883039 76.482671 28.408385 10.113458 19.117686 397.849499 30.655067 1860.986193 851.693105 613.596123 5739.937165 18.341614 19868.792390 8446.621145 752.568132 1819.860728 2660.216399 13.497338 3587.537374 1087.514334 482.527167 1325.531558 357.560838 0.000000 1.841171 2.049310 1.892628 0.283605 0.596133 0.563691 0.515015 8.968763 1.093028 0.113102 2.130905 0.887981 19.300549 13.519072 39.458297 7.731997 6.501866 0.820580 24.839112 11.078210 55.438307 40.491440 6.449863 2.478362 0.889941 1.695484 47.481495 3.788514 242.847279 117.215538 100.486658 945.759734 3.250997 3781.688557 1611.622891 152.700373 413.830058 612.576096 3.108888 830.621742 253.588638 113.825600 328.450222 328.026071 1.000000 298.150000 5310.9311 6315.0892 10064.8020 1 NOSYM 298.15 43.826 34.178 69.664 147.668 0.889 0.889 41.787 43.565 2.981 2.981 59.679 65.640 395.75879999999984 AuxInfo=1/1/N:13;5;6;7;8;9;10;11;12;14;15;16;2;3;4;1/rA:17nVVVVOOOOO1O1O1O1OO1O1O1H/rB:;;;s1s2;s1s3;s2s4;s3s4;s1;s2;s3;s4;s1;s2;s3;s4;s13;/rC:-1.7055,.0214,.697;.3399,2.5196,-.1647;.3221,-2.5099,-.1236;2.3321,-.0092,-1.0158;-1.1966,1.445,-.2131;-1.2002,-1.4176,-.1911;1.8197,1.4754,-.0662;1.8178,-1.4851,-.0552;-1.0339,.0321,2.1717;.3468,3.4476,-1.5326;.3119,-3.4701,-1.469;1.6126,-.015,-2.5038;-3.5149,.0255,.8424;.2993,3.499,1.167;.2744,-3.4574,1.2307;3.983,-.0105,-1.1834;-3.8507,.0353,1.7619;/R:/0/N:13,9,10,14,11,15,12,16,5,6,7,8,1,2,3,4/E:(3,4,5,6)(7,8)(9,10)(11,12)(14,15)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -7.035 -6.851 -6.749 -6.658 -6.646 -6.359 -6.235 -5.913 -5.850 -5.787 -3.065 -3.014 -2.602 -2.473 -2.265 -1.967 -1.916 -1.815 -1.567 -1.455 A A A A A A A A A A A A A A A A A A A A 0.00000000025431 0.00011585682239 0.00006279454178 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 23 23 23 23 8 8 8 8 8 8 8 8 8 8 8 8 1 -1.705543 0.021428 0.696985 0.339946 2.519592 -0.164684 0.322132 -2.509918 -0.123557 2.332128 -0.009150 -1.015782 -1.196628 1.444999 -0.213078 -1.200151 -1.417563 -0.191058 1.819658 1.475425 -0.066191 1.817844 -1.485090 -0.055184 -1.033938 0.032110 2.171657 0.346773 3.447558 -1.532572 0.311907 -3.470050 -1.469029 1.612575 -0.015032 -2.503787 -3.514898 0.025495 0.842355 0.299256 3.498964 1.167020 0.274379 -3.457402 1.230707 3.982958 -0.010543 -1.183412 -3.850737 0.035327 1.761909 1 3 -3 -1.705543 0.021428 0.696985 Rho 0.1070715E+05 3,-3 2 3 -3 0.339946 2.519592 -0.164684 Rho 0.1070691E+05 3,-3 3 3 -3 0.322132 -2.509918 -0.123557 Rho 0.1070691E+05 3,-3 4 3 -3 2.332128 -0.009150 -1.015782 Rho 0.1070699E+05 3,-3 5 3 -3 -1.196628 1.444999 -0.213078 Rho 0.3189938E+03 3,-3 6 3 -3 -1.200151 -1.417563 -0.191058 Rho 0.3189928E+03 3,-3 7 3 -3 1.819658 1.475425 -0.066191 Rho 0.3189564E+03 3,-3 8 3 -3 1.817844 -1.485090 -0.055184 Rho 0.3189556E+03 3,-3 9 3 -3 -1.033938 0.032110 2.171657 Rho 0.3194652E+03 3,-3 10 3 -3 0.346773 3.447558 -1.532572 Rho 0.3193235E+03 3,-3 11 3 -3 0.311907 -3.470050 -1.469029 Rho 0.3193234E+03 3,-3 12 3 -3 1.612575 -0.015032 -2.503787 Rho 0.3193302E+03 3,-3 13 3 -3 -3.514898 0.025495 0.842355 Rho 0.3187764E+03 3,-3 14 3 -3 0.299256 3.498964 1.167020 Rho 0.3193205E+03 3,-3 15 3 -3 0.274379 -3.457402 1.230707 Rho 0.3193210E+03 3,-3 16 3 -3 3.982958 -0.010543 -1.183412 Rho 0.3192985E+03 3,-3 17 3 -3 -3.850737 0.035327 1.761909 Rho 0.4635628E+00 3,-3 18 3 -1 -3.772124 0.033098 1.554138 Rho 0.3352925E+00 |GRAD(Rho)| 0.3074973E-15 GRAD(Rho)x 0.2496227E-15 GRAD(Rho)y 0.7258966E-17 GRAD(Rho)z -0.1794168E-15 Laplacian -0.1735143E+01 (-1/4)Del**2(Rho)) 0.4337857E+00 Diamond 0.6316226E+01 Metallicity -0.6426646E+01 Ellipticity 0.2159328E-02 Gb(Abramov) 0.1754407E+00 Vb(Abramov) -0.7846671E+00 Hb(Abramov) -0.6092264E+00 Ex_ueg -0.1720350E+00 Ec_ueg -0.2127615E-01 Delta_ex 0.1763130E+00 Delta_ec 0.5995141E-01 Delta_et -0.1452824E+01 Pxc 0.8085813E+01 Qxc 0.2940932E+01 3,-1 19 3 -1 -1.435098 0.749837 0.243168 Rho 0.1632542E+00 |GRAD(Rho)| 0.9487310E-13 GRAD(Rho)x 0.1817096E-13 GRAD(Rho)y -0.8443284E-13 GRAD(Rho)z 0.3926599E-13 Laplacian 0.7064677E+00 (-1/4)Del**2(Rho)) -0.1766169E+00 Diamond 0.1816436E+01 Metallicity 0.4756579E+01 Ellipticity 0.1890317E-01 Gb(Abramov) 0.2577600E+00 Vb(Abramov) -0.3389031E+00 Hb(Abramov) -0.8114309E-01 Ex_ueg -0.6589779E-01 Ec_ueg -0.9297302E-02 Delta_ex -0.7953277E-01 Delta_ec 0.2122506E-01 Delta_et -0.2952945E+00 Pxc 0.7087840E+01 Qxc -0.3747117E+01 3,-1 20 3 +1 0.332615 0.003648 -0.130308 Rho 0.3033160E-02 |GRAD(Rho)| 0.3819916E-13 GRAD(Rho)x 0.2696703E-13 GRAD(Rho)y -0.2698390E-13 GRAD(Rho)z 0.1955548E-14 Laplacian 0.8519567E-02 (-1/4)Del**2(Rho)) -0.2129892E-02 Diamond 0.4596316E-04 Metallicity 0.5140688E+00 Ellipticity -0.1219748E+01 Gb(Abramov) 0.1602413E-02 Vb(Abramov) -0.1074934E-02 Hb(Abramov) 0.5274788E-03 Ex_ueg -0.3242741E-03 Ec_ueg -0.6327912E-04 Delta_ex -0.2855155E-03 Delta_ec 0.8875416E-04 Delta_et -0.4890186E-03 Pxc 0.5124503E+01 Qxc -0.3216925E+01 3,+1 21 3 -1 -0.440559 -1.954247 -0.147350 Rho 0.1193160E+00 |GRAD(Rho)| 0.1736867E-15 GRAD(Rho)x 0.6289844E-16 GRAD(Rho)y -0.1616745E-15 GRAD(Rho)z 0.8498205E-17 Laplacian 0.5428221E+00 (-1/4)Del**2(Rho)) -0.1357055E+00 Diamond 0.9697595E+00 Metallicity 0.3671022E+01 Ellipticity 0.2113016E-01 Gb(Abramov) 0.1735000E+00 Vb(Abramov) -0.2112945E+00 Hb(Abramov) -0.3779449E-01 Ex_ueg -0.4338272E-01 Ec_ueg -0.6509329E-02 Delta_ex -0.5696645E-01 Delta_ec 0.1779101E-01 Delta_et -0.2337247E+00 Pxc 0.6664699E+01 Qxc -0.3201980E+01 3,-1 22 3 -1 0.317436 -3.008477 -0.818267 Rho 0.2265574E+00 |GRAD(Rho)| 0.1174421E-14 GRAD(Rho)x -0.1020764E-15 GRAD(Rho)y 0.5756580E-15 GRAD(Rho)z 0.1018559E-14 Laplacian 0.9086945E+00 (-1/4)Del**2(Rho)) -0.2271736E+00 Diamond 0.3470034E+01 Metallicity 0.6384973E+01 Ellipticity 0.1316556E-01 Gb(Abramov) 0.3931987E+00 Vb(Abramov) -0.5592237E+00 Hb(Abramov) -0.1660250E+00 Ex_ueg -0.1020053E+00 Ec_ueg -0.1351482E-01 Delta_ex -0.1108645E+00 Delta_ec 0.2525516E-01 Delta_et -0.3688402E+00 Pxc 0.7547664E+01 Qxc -0.4389777E+01 3,-1 23 3 -1 0.297638 -3.001965 0.575617 Rho 0.2262448E+00 |GRAD(Rho)| 0.9334097E-15 GRAD(Rho)x 0.5304750E-16 GRAD(Rho)y 0.7584782E-15 GRAD(Rho)z -0.5414336E-15 Laplacian 0.9060108E+00 (-1/4)Del**2(Rho)) -0.2265027E+00 Diamond 0.3452868E+01 Metallicity 0.6389163E+01 Ellipticity 0.1300424E-01 Gb(Abramov) 0.3921956E+00 Vb(Abramov) -0.5578885E+00 Hb(Abramov) -0.1656929E+00 Ex_ueg -0.1018177E+00 Ec_ueg -0.1349344E-01 Delta_ex -0.1104922E+00 Delta_ec 0.2517749E-01 Delta_et -0.3676034E+00 Pxc 0.7545716E+01 Qxc -0.4388532E+01 3,-1 24 3 -1 2.065175 0.746025 -0.546545 Rho 0.1334425E+00 |GRAD(Rho)| 0.7373562E-13 GRAD(Rho)x -0.7716825E-14 GRAD(Rho)y -0.6279588E-13 GRAD(Rho)z -0.3786912E-13 Laplacian 0.5980526E+00 (-1/4)Del**2(Rho)) -0.1495132E+00 Diamond 0.1207434E+01 Metallicity 0.4015109E+01 Ellipticity 0.4977364E-02 Gb(Abramov) 0.1997274E+00 Vb(Abramov) -0.2499416E+00 Hb(Abramov) -0.5021423E-01 Ex_ueg -0.5036289E-01 Ec_ueg -0.7392177E-02 Delta_ex -0.6421590E-01 Delta_ec 0.1882220E-01 Delta_et -0.2524573E+00 Pxc 0.6812998E+01 Qxc -0.3411711E+01 3,-1 25 3 -1 -0.429920 1.972995 -0.178785 Rho 0.1190879E+00 |GRAD(Rho)| 0.3875308E-13 GRAD(Rho)x -0.1431917E-13 GRAD(Rho)y -0.3561597E-13 GRAD(Rho)z 0.5316511E-14 Laplacian 0.5414755E+00 (-1/4)Del**2(Rho)) -0.1353689E+00 Diamond 0.9650243E+00 Metallicity 0.3668432E+01 Ellipticity 0.2120924E-01 Gb(Abramov) 0.1730112E+00 Vb(Abramov) -0.2106535E+00 Hb(Abramov) -0.3764229E-01 Ex_ueg -0.4327216E-01 Ec_ueg -0.6495184E-02 Delta_ex -0.5679907E-01 Delta_ec 0.1775160E-01 Delta_et -0.2331105E+00 Pxc 0.6662192E+01 Qxc -0.3199659E+01 3,-1 26 3 -1 1.075558 -1.983577 -0.099400 Rho 0.1424494E+00 |GRAD(Rho)| 0.1467546E-15 GRAD(Rho)x 0.1467506E-15 GRAD(Rho)y -0.1014745E-17 GRAD(Rho)z 0.3878948E-18 Laplacian 0.6280563E+00 (-1/4)Del**2(Rho)) -0.1570141E+00 Diamond 0.1375916E+01 Metallicity 0.4263004E+01 Ellipticity 0.1489561E-01 Gb(Abramov) 0.2162347E+00 Vb(Abramov) -0.2754552E+00 Hb(Abramov) -0.5922058E-01 Ex_ueg -0.5494557E-01 Ec_ueg -0.7961934E-02 Delta_ex -0.6851721E-01 Delta_ec 0.1956365E-01 Delta_et -0.2658299E+00 Pxc 0.6901033E+01 Qxc -0.3502272E+01 3,-1 27 3 -1 -1.355665 0.026976 1.462640 Rho 0.2468178E+00 |GRAD(Rho)| 0.8820132E-11 GRAD(Rho)x 0.3658035E-11 GRAD(Rho)y 0.5808876E-13 GRAD(Rho)z 0.8025592E-11 Laplacian 0.9946279E+00 (-1/4)Del**2(Rho)) -0.2486570E+00 Diamond 0.4249663E+01 Metallicity 0.6728425E+01 Ellipticity 0.4251722E-02 Gb(Abramov) 0.4446163E+00 Vb(Abramov) -0.6405756E+00 Hb(Abramov) -0.1959593E+00 Ex_ueg -0.1143459E+00 Ec_ueg -0.1491168E-01 Delta_ex -0.1241898E+00 Delta_ec 0.2738595E-01 Delta_et -0.4052725E+00 Pxc 0.7668206E+01 Qxc -0.4534800E+01 3,-1 28 3 -1 1.085426 1.983474 -0.125220 Rho 0.1427180E+00 |GRAD(Rho)| 0.4352576E-15 GRAD(Rho)x -0.3637363E-15 GRAD(Rho)y 0.2377602E-15 GRAD(Rho)z -0.2480240E-16 Laplacian 0.6293603E+00 (-1/4)Del**2(Rho)) -0.1573401E+00 Diamond 0.1381934E+01 Metallicity 0.4267547E+01 Ellipticity 0.1505411E-01 Gb(Abramov) 0.2168028E+00 Vb(Abramov) -0.2762654E+00 Hb(Abramov) -0.5946268E-01 Ex_ueg -0.5508373E-01 Ec_ueg -0.7979002E-02 Delta_ex -0.6869009E-01 Delta_ec 0.1959668E-01 Delta_et -0.2663738E+00 Pxc 0.6903586E+01 Qxc -0.3505190E+01 3,-1 29 3 -1 3.185089 -0.009883 -1.104730 Rho 0.2228229E+00 |GRAD(Rho)| 0.3362265E-13 GRAD(Rho)x -0.1798130E-13 GRAD(Rho)y 0.5582660E-15 GRAD(Rho)z 0.2840500E-13 Laplacian 0.8924825E+00 (-1/4)Del**2(Rho)) -0.2231206E+00 Diamond 0.3337896E+01 Metallicity 0.6323337E+01 Ellipticity 0.1276839E-01 Gb(Abramov) 0.3838916E+00 Vb(Abramov) -0.5446625E+00 Hb(Abramov) -0.1607710E+00 Ex_ueg -0.9976956E-01 Ec_ueg -0.1325979E-01 Delta_ex -0.1084195E+00 Delta_ec 0.2488204E-01 Delta_et -0.3625477E+00 Pxc 0.7524216E+01 Qxc -0.4357341E+01 3,-1 30 3 -1 2.064100 -0.759925 -0.540699 Rho 0.1336414E+00 |GRAD(Rho)| 0.3546570E-12 GRAD(Rho)x -0.1030062E-12 GRAD(Rho)y -0.2860547E-12 GRAD(Rho)z 0.1826035E-12 Laplacian 0.5995236E+00 (-1/4)Del**2(Rho)) -0.1498809E+00 Diamond 0.1212251E+01 Metallicity 0.4015212E+01 Ellipticity 0.5784312E-02 Gb(Abramov) 0.2002212E+00 Vb(Abramov) -0.2505615E+00 Hb(Abramov) -0.5034030E-01 Ex_ueg -0.5046299E-01 Ec_ueg -0.7404701E-02 Delta_ex -0.6439233E-01 Delta_ec 0.1885562E-01 Delta_et -0.2529679E+00 Pxc 0.6814994E+01 Qxc -0.3415021E+01 3,-1 31 3 -1 -2.617564 0.023750 0.796563 Rho 0.1457483E+00 |GRAD(Rho)| 0.5687343E-15 GRAD(Rho)x 0.5680908E-15 GRAD(Rho)y -0.7802408E-17 GRAD(Rho)z -0.2589634E-16 Laplacian 0.6063875E+00 (-1/4)Del**2(Rho)) -0.1515969E+00 Diamond 0.1395582E+01 Metallicity 0.4587071E+01 Ellipticity 0.1069571E+00 Gb(Abramov) 0.2169622E+00 Vb(Abramov) -0.2823275E+00 Hb(Abramov) -0.6536532E-01 Ex_ueg -0.5664868E-01 Ec_ueg -0.8171902E-02 Delta_ex -0.6682014E-01 Delta_ec 0.1934753E-01 Delta_et -0.2650278E+00 Pxc 0.6932128E+01 Qxc -0.3453678E+01 3,-1 32 3 -1 0.344092 3.001539 -0.871033 Rho 0.2265501E+00 |GRAD(Rho)| 0.1519187E-15 GRAD(Rho)x 0.2450249E-16 GRAD(Rho)y -0.8273818E-17 GRAD(Rho)z -0.1497012E-15 Laplacian 0.9087788E+00 (-1/4)Del**2(Rho)) -0.2271947E+00 Diamond 0.3470099E+01 Metallicity 0.6384035E+01 Ellipticity 0.1320615E-01 Gb(Abramov) 0.3931996E+00 Vb(Abramov) -0.5592046E+00 Hb(Abramov) -0.1660049E+00 Ex_ueg -0.1020009E+00 Ec_ueg -0.1351431E-01 Delta_ex -0.1108732E+00 Delta_ec 0.2525647E-01 Delta_et -0.3688538E+00 Pxc 0.7547618E+01 Qxc -0.4389893E+01 3,-1 33 3 -1 0.319138 3.028084 0.522762 Rho 0.2262060E+00 |GRAD(Rho)| 0.5219326E-15 GRAD(Rho)x -0.4613431E-17 GRAD(Rho)y 0.3499102E-15 GRAD(Rho)z 0.3872406E-15 Laplacian 0.9058163E+00 (-1/4)Del**2(Rho)) -0.2264541E+00 Diamond 0.3451278E+01 Metallicity 0.6388711E+01 Ellipticity 0.1300804E-01 Gb(Abramov) 0.3920943E+00 Vb(Abramov) -0.5577345E+00 Hb(Abramov) -0.1656402E+00 Ex_ueg -0.1017944E+00 Ec_ueg -0.1349079E-01 Delta_ex -0.1104630E+00 Delta_ec 0.2517179E-01 Delta_et -0.3675078E+00 Pxc 0.7545475E+01 Qxc -0.4388364E+01 3,-1 34 3 -1 -1.436998 -0.714769 0.254549 Rho 0.1630916E+00 |GRAD(Rho)| 0.2059549E-13 GRAD(Rho)x 0.4483623E-14 GRAD(Rho)y 0.1898760E-13 GRAD(Rho)z -0.6598682E-14 Laplacian 0.7062577E+00 (-1/4)Del**2(Rho)) -0.1765644E+00 Diamond 0.1813691E+01 Metallicity 0.4750100E+01 Ellipticity 0.1833240E-01 Gb(Abramov) 0.2574927E+00 Vb(Abramov) -0.3384210E+00 Hb(Abramov) -0.8092831E-01 Ex_ueg -0.6581031E-01 Ec_ueg -0.9286767E-02 Delta_ex -0.7948993E-01 Delta_ec 0.2122315E-01 Delta_et -0.2952171E+00 Pxc 0.7086461E+01 Qxc -0.3745434E+01 3,-1 35 3 -1 1.961875 -0.012201 -1.786497 Rho 0.2262449E+00 |GRAD(Rho)| 0.7740634E-14 GRAD(Rho)x 0.3355664E-14 GRAD(Rho)y 0.3149504E-15 GRAD(Rho)z 0.6968338E-14 Laplacian 0.9170788E+00 (-1/4)Del**2(Rho)) -0.2292697E+00 Diamond 0.3499571E+01 Metallicity 0.6312060E+01 Ellipticity 0.1085135E-01 Gb(Abramov) 0.3940405E+00 Vb(Abramov) -0.5588113E+00 Hb(Abramov) -0.1647708E+00 Ex_ueg -0.1018177E+00 Ec_ueg -0.1349345E-01 Delta_ex -0.1118680E+00 Delta_ec 0.2553152E-01 Delta_et -0.3729264E+00 Pxc 0.7545717E+01 Qxc -0.4381566E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 19 34 27 31 25 28 32 33 21 26 22 23 24 30 35 29 18 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 13 5 6 9 13 5 7 10 14 6 8 11 15 7 8 12 16 17 1.764585 1.764861 1.620440 1.815191 1.875673 1.813707 1.652963 1.653560 1.874871 1.814415 1.652953 1.653493 1.835296 1.834567 1.652861 1.659320 0.979012 1.764951 1.765227 1.620461 1.816178 1.875883 1.813976 1.653030 1.653627 1.875080 1.814687 1.653023 1.653564 1.835603 1.834868 1.652909 1.659381 0.979139 21 21 19 21 21 21 21 21 21 21 21 21 21 21 21 21 18 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 V V V V O O O O O O O O O O O O H 1.8843 1.7348 1.7349 1.7316 -0.9827 -0.9830 -1.0094 -1.0096 -0.7063 -0.8181 -0.8182 -0.8098 -0.7684 -0.8194 -0.8190 -0.8445 0.3027 1.9585 1.9856 1.9858 1.9795 1.9574 1.9573 1.9514 1.9513 1.9811 1.9674 1.9674 1.9665 1.8935 1.9670 1.9670 1.9659 0.5980 6.1317 6.2008 6.2006 6.2074 5.0013 5.0017 5.0347 5.0350 4.6967 4.8264 4.8265 4.8191 4.8468 4.8282 4.8277 4.8550 0.0993 3.0254 3.0788 3.0787 3.0814 0.0241 0.0240 0.0233 0.0233 0.0285 0.0243 0.0243 0.0242 0.0281 0.0243 0.0243 0.0236 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 V V V V O O O O O O O O O O O O H 2.043485 2.003828 2.003924 1.996663 -1.001633 -1.002027 -1.036965 -1.037096 -0.837323 -0.935817 -0.935792 -0.943717 -0.590837 -0.937045 -0.936671 -0.958160 0.105183 1.621239 1.614876 1.614794 1.607774 -0.819208 -0.819142 -0.865193 -0.865228 -0.706856 -0.825522 -0.825584 -0.826688 -0.786752 -0.830630 -0.830150 -0.856069 0.398339 1.543364 1.685603 1.686533 1.663531 -0.843509 -0.844592 -0.910730 -0.911468 -0.644378 -0.833277 -0.833579 -0.835901 -0.708361 -0.852759 -0.851989 -0.859307 0.350820 -14.07954818 -0.01392425 7.40465543 15.90794748 16.99540615 -0.32567202 14.23797082 -46.13118436 0.67787303 29.13577821 -88.0199 132.8387 -49.3260 -125.0308 -15.2844 -144.8224 Sep08-2020 04:18:00 Nodes: 1 Procs: 1 Sep08-2020 04:18:00 Nodes: 1 Procs: 1 0 Sep08-2020 04:18:01 Nodes: 1 Procs: 1 Sep08-2020 04:18:01 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 Sep08-2020 04:18:02 Nodes: 1 Procs: 1 Sep08-2020 04:18:02 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Sep08-2020 04:18:03 Nodes: 1 Procs: 28 *** (NO TITLE) *** -3 -4.95981329 -5.16505472 -5.20382149 -5.28461809 -5.30092712 -5.30807084 -5.31191078 -5.31515818 -5.31701838 -5.31866507 -5.31907112 -5.31939185 -5.31947263 -5.31956202 -5.31959576 -5.31964012 -5.31967955 -5.31975558 -5.32006300 -5.32018717 -5.32030640 -5.32072220 -5.32085558 -5.32023761 -5.32122666 -5.32157304 -5.32168045 -5.32194198 -5.32198195 -5.32093008 -5.32184263 -5.32188406 -5.32207059 -5.32206984 -5.32198907 -5.32200663 -5.32199389 -5.32202263 -5.32210966 -5.32210981 -5.32209313 -5.32209655 -5.32209999 -5.32210439 -5.32212545 -5.32212487 GEOMETRY CONVERGED