ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar18-2024 02:49:00 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.35 0.02 0.41 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 Mar18-2024 02:49:00 Nodes: 1 Procs: 1 Mar18-2024 02:49:00 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar18-2024 02:49:00 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.61 0.01 0.67 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Mar18-2024 02:49:00 Nodes: 1 Procs: 1 Mar18-2024 02:49:00 Nodes: 1 Procs: 1 0 Mar18-2024 02:49:00 Nodes: 1 Procs: 1 Mar18-2024 02:49:01 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar18-2024 02:49:01 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.73 0.04 0.82 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Mar18-2024 02:49:00 Nodes: 1 Procs: 1 Mar18-2024 02:49:00 Nodes: 1 Procs: 1 0 Mar18-2024 02:49:00 Nodes: 1 Procs: 1 Mar18-2024 02:49:01 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar18-2024 02:49:01 Nodes: 1 Procs: 1 Mar18-2024 02:49:02 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar18-2024 02:49:03 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.32 0.04 1.57 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Mar18-2024 02:49:00 Nodes: 1 Procs: 1 Mar18-2024 02:49:00 Nodes: 1 Procs: 1 0 Mar18-2024 02:49:00 Nodes: 1 Procs: 1 Mar18-2024 02:49:01 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar18-2024 02:49:01 Nodes: 1 Procs: 1 Mar18-2024 02:49:02 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar18-2024 02:49:03 Nodes: 1 Procs: 1 Mar18-2024 02:49:04 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar18-2024 02:49:05 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.44 0.04 0.53 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 Mar18-2024 02:49:00 Nodes: 1 Procs: 1 Mar18-2024 02:49:00 Nodes: 1 Procs: 1 0 Mar18-2024 02:49:00 Nodes: 1 Procs: 1 Mar18-2024 02:49:01 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar18-2024 02:49:01 Nodes: 1 Procs: 1 Mar18-2024 02:49:02 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar18-2024 02:49:03 Nodes: 1 Procs: 1 Mar18-2024 02:49:04 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar18-2024 02:49:05 Nodes: 1 Procs: 1 Mar18-2024 02:49:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar18-2024 02:49:07 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.8812,.2219,-1.5432;1.1328,1.5182,-1.5432;-.748,1.747,-1.1901;-1.139,-1.5213,-1.1901;.7484,-1.7401,-1.5432;1.887,-.2257,-1.1901;-1.8302,-2.4234,.4799;3.2108,-.3746,-2.7085;3.0138,-.3733,.4799;-1.281,2.968,-2.7085;-1.1836,2.7967,.4799;-1.9299,-2.5933,-2.7085;0,0,.1819;0,0,1.9419;1.3075,-1.0153,2.5396;-1.533,-.6247,2.5396;.2255,1.64,2.5396;.2665,2.2481,1.7978;1.5452,-.7408,3.4282;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 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.O ADF 2019 Mar18-2024 02:49:06 1 1 Oxygen TZP 1s t21.W ADF 2019 Mar18-2024 02:49:04 1 1 Tungsten TZP 4d t21.Mo ADF 2019 Mar18-2024 02:49:02 1 1 Molybdenum TZP 3d t21.P ADF 2019 Mar18-2024 02:49:01 1 1 Phosphorus TZP 1s t21.H ADF 2019 Mar18-2024 02:49:00 1 1 Hydrogen TZP 1 1 -5.05818037 0.29422435 0.00100000 F 0.11922990 0.00066667 F 0.29422435 0.11922990 0.16686370 0.01000000 F 0.07046142 0.00666667 F Cartesian 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.8603,.2225,-1.5129;1.1169,1.5102,-1.4825;-.7475,1.7418,-1.1454;-1.1372,-1.5245,-1.1764;.7404,-1.7304,-1.5093;1.8834,-.2283,-1.1409;-1.7859,-2.3845,.3318;3.1118,-.3554,-2.5474;2.9245,-.3665,.4012;-1.2214,2.8729,-2.5416;-1.1469,2.7002,.4017;-1.8428,-2.4946,-2.5998;-.0181,-.0123,.2311;-.047,-.0076,1.9446;1.239,-.9758,2.4186;-1.4274,-.5197,2.5699;.2681,1.5601,2.4615;.236,2.1601,1.6702;1.5259,-.6608,3.3084;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 2 2 -5.32757878 0.22787907 0.00100000 F 0.08124821 0.00066667 F 0.22787907 0.08124821 0.30032462 0.01000000 F 0.11614733 0.00666667 F Cartesian 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.8283,.231,-1.4298;1.1295,1.5052,-1.4669;-.713,1.747,-1.1013;-1.1175,-1.5244,-1.0939;.7476,-1.7335,-1.4486;1.9113,-.2324,-1.1307;-1.6417,-2.251,.1948;2.9076,-.3477,-2.3629;2.8556,-.3211,.1176;-1.1201,2.7027,-2.2869;-.9899,2.5869,.2338;-1.7264,-2.3519,-2.2994;.0156,-.0002,.3149;-.1172,-.0096,1.9218;1.0975,-.9073,2.2855;-1.2728,-.4303,2.3911;.2595,1.4314,2.3842;.0103,2.0783,1.6773;1.4039,-.666,3.1821;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 3 3 -5.20467393 0.56055289 0.00100000 F 0.20971386 0.00066667 F 0.56055289 0.20971386 0.13395344 0.01000000 F 0.03597368 0.00666667 F Cartesian 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.8273,.2333,-1.425;1.1401,1.5094,-1.4855;-.7033,1.7506,-1.1069;-1.1097,-1.5258,-1.0887;.7572,-1.74,-1.4538;1.9231,-.2324,-1.15;-1.656,-2.2983,.2824;2.9454,-.3547,-2.4446;2.934,-.3168,.1452;-1.1407,2.7622,-2.3579;-.9728,2.6373,.2953;-1.7584,-2.401,-2.3559;.0318,.0041,.3197;-.126,-.007,1.9202;1.1063,-.9071,2.2879;-1.4067,-.4669,2.4275;.2805,1.4411,2.378;-.0246,2.103,1.707;1.4188,-.6836,3.1881;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 4 4 -5.39286781 0.15763685 0.00100000 F 0.06492523 0.00066667 F 0.15763685 0.06492523 0.20921175 0.01000000 F 0.07090845 0.00666667 F Cartesian 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.8482,.204,-1.4337;1.1182,1.5162,-1.531;-.7274,1.7345,-1.1298;-1.0938,-1.5521,-1.124;.7768,-1.753,-1.496;1.929,-.2239,-1.2134;-1.6342,-2.3942,.2749;2.9794,-.3416,-2.5922;3.0021,-.2992,.1389;-1.2239,2.7898,-2.4051;-.9984,2.6522,.3429;-1.771,-2.4506,-2.4443;.0496,-.0073,.2959;-.0778,.0314,1.9176;1.0457,-.9959,2.4571;-1.3695,-.2577,2.4187;.4041,1.4932,2.3909;-.0294,2.1889,1.8199;1.2802,-.8271,3.3954;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 5 5 -5.42244369 0.18713307 0.00100000 F 0.03571333 0.00066667 F 0.18713307 0.03571333 0.14708750 0.01000000 F 0.03871869 0.00666667 F Cartesian 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.857,.1876,-1.4305;1.1033,1.5206,-1.5008;-.7491,1.7271,-1.1172;-1.0878,-1.5681,-1.1331;.7924,-1.755,-1.4717;1.9308,-.215,-1.1851;-1.6356,-2.4355,.2575;2.9908,-.3223,-2.5542;2.9792,-.2837,.1862;-1.2534,2.7903,-2.3874;-1.0418,2.6347,.3605;-1.7457,-2.4551,-2.4743;.0319,-.0171,.3137;-.1036,.0546,1.9226;1.0338,-.9916,2.4046;-1.476,-.1769,2.4639;.5512,1.4866,2.3001;.0652,2.1907,1.7845;1.2831,-.8643,3.3437;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 6 6 -5.43284596 0.02882518 0.00100000 F 0.00708181 0.00066667 F 0.02882518 0.00708181 0.09606410 0.01000000 F 0.02393157 0.00666667 F Cartesian 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.855,.1785,-1.4171;1.0985,1.5187,-1.5255;-.7518,1.725,-1.1248;-1.0765,-1.5738,-1.1256;.8038,-1.7547,-1.4697;1.9396,-.2093,-1.2078;-1.6152,-2.439,.2916;2.9941,-.3198,-2.5782;2.9938,-.2666,.161;-1.2797,2.7894,-2.4024;-1.0372,2.6346,.3544;-1.7481,-2.4691,-2.4672;.051,-.0137,.3034;-.0758,.0778,1.9083;1.0138,-1.0041,2.4003;-1.4735,-.1383,2.4343;.5831,1.4965,2.3262;.0595,2.2029,1.8594;1.1871,-.9278,3.3622;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 7 7 -5.43301619 0.03311604 0.00100000 F 0.01185382 0.00066667 F 0.03311604 0.01185382 0.03517869 0.01000000 F 0.00959086 0.00666667 F Cartesian 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.8547,.1744,-1.4087;1.0944,1.5196,-1.5217;-.7551,1.7236,-1.1161;-1.073,-1.5774,-1.1246;.8069,-1.7535,-1.4696;1.942,-.2066,-1.2089;-1.6055,-2.4423,.2847;2.9923,-.3126,-2.575;2.9935,-.2637,.1541;-1.2865,2.7861,-2.3842;-1.0378,2.6224,.3628;-1.7422,-2.4659,-2.4624;.0539,-.0181,.307;-.0782,.0802,1.9052;1.0066,-.9981,2.402;-1.4682,-.1106,2.4303;.5965,1.4927,2.3029;.075,2.199,1.8353;1.1519,-.9418,3.3698;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 8 8 -5.43421802 0.01737058 0.00100000 F 0.00551848 0.00066667 F 0.01737058 0.00551848 0.14137942 0.01000000 F 0.03197742 0.00666667 F Cartesian 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.8564,.1558,-1.3931;1.0776,1.5231,-1.5329;-.7715,1.7185,-1.1157;-1.0583,-1.5894,-1.1176;.8222,-1.7493,-1.4635;1.9501,-.1922,-1.2217;-1.5757,-2.4507,.2916;2.9985,-.2936,-2.5848;2.9985,-.2358,.1399;-1.3234,2.7709,-2.3765;-1.055,2.6105,.3606;-1.7276,-2.478,-2.4485;.0648,-.0186,.3073;-.0686,.104,1.8969;.9792,-1.0029,2.3991;-1.4563,-.0206,2.4255;.667,1.4885,2.2811;.136,2.2131,1.857;1.0105,-1.0461,3.3782;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 9 9 -5.43515817 0.00559502 0.00100000 F 0.00209233 0.00066667 F 0.00559502 0.00209233 0.16792717 0.01000000 F 0.03302122 0.00666667 F Cartesian 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.8558,.1406,-1.3703;1.0656,1.5206,-1.5472;-.7816,1.7149,-1.1105;-1.0441,-1.6002,-1.1104;.8361,-1.746,-1.4641;1.9625,-.1834,-1.2405;-1.5491,-2.4608,.3022;3.0102,-.2814,-2.603;3.0087,-.2182,.1216;-1.3581,2.7613,-2.364;-1.0562,2.5991,.3674;-1.7221,-2.4868,-2.4364;.0836,-.0238,.3083;-.0486,.1279,1.89;.9822,-.9836,2.417;-1.433,.0489,2.4286;.7153,1.5085,2.2453;.1535,2.2363,1.8785;.8426,-1.1666,3.3702;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 10 10 -5.43579524 0.00639087 0.00100000 F 0.00270930 0.00066667 F 0.00639087 0.00270930 0.10018021 0.01000000 F 0.02087344 0.00666667 F Cartesian 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.8575,.1319,-1.362;1.0559,1.5212,-1.5597;-.7913,1.7144,-1.1151;-1.0363,-1.6042,-1.1032;.8445,-1.7404,-1.4621;1.9679,-.1736,-1.2483;-1.5365,-2.4629,.3131;3.0189,-.2714,-2.6095;3.0118,-.199,.1168;-1.3799,2.7511,-2.3717;-1.0678,2.6065,.3577;-1.717,-2.4956,-2.4255;.0906,-.0211,.3109;-.0382,.1398,1.893;.9823,-.977,2.4353;-1.4195,.0755,2.4415;.7477,1.5123,2.2427;.1937,2.2481,1.8825;.7424,-1.2482,3.3464;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 11 11 -5.43611579 0.00660291 0.00100000 F 0.00236370 0.00066667 F 0.00660291 0.00236370 0.06557727 0.01000000 F 0.01655591 0.00666667 F Cartesian 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.8589,.1362,-1.3561;1.0546,1.5179,-1.5698;-.7917,1.7204,-1.1206;-1.0372,-1.5995,-1.0958;.8437,-1.7347,-1.4635;1.9717,-.1715,-1.2511;-1.5394,-2.4566,.3237;3.0291,-.2732,-2.6097;3.0123,-.1941,.1193;-1.3821,2.7488,-2.3852;-1.0627,2.6252,.348;-1.7226,-2.4941,-2.4165;.0936,-.0176,.3176;-.0288,.1394,1.9033;1.0176,-.9504,2.4637;-1.4045,.0379,2.4657;.7339,1.5301,2.2417;.187,2.257,1.8533;.696,-1.3137,3.3149;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 12 12 -5.43644961 0.00503952 0.00100000 F 0.00143520 0.00066667 F 0.00503952 0.00143520 0.05587421 0.01000000 F 0.01689235 0.00666667 F Cartesian 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.861,.1445,-1.3516;1.0539,1.5153,-1.5746;-.7911,1.7278,-1.1261;-1.041,-1.5916,-1.0866;.8396,-1.7276,-1.4633;1.9729,-.1701,-1.2472;-1.5446,-2.449,.334;3.0366,-.2773,-2.6013;3.009,-.1909,.1279;-1.3775,2.7488,-2.3994;-1.0561,2.6448,.339;-1.7273,-2.4893,-2.4065;.0911,-.0115,.3276;-.0238,.1356,1.9161;1.0539,-.9211,2.4869;-1.3947,-.0106,2.4859;.7066,1.5426,2.2485;.1842,2.253,1.7974;.681,-1.3661,3.276;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 13 13 -5.43658401 0.00340683 0.00100000 F 0.00139768 0.00066667 F 0.00340683 0.00139768 0.04202099 0.01000000 F 0.01496578 0.00666667 F Cartesian 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.8618,.1537,-1.3477;1.0553,1.5108,-1.576;-.7874,1.7336,-1.1306;-1.046,-1.5845,-1.0791;.8336,-1.7241,-1.4618;1.9735,-.1734,-1.2421;-1.5492,-2.4428,.3399;3.0414,-.2873,-2.5917;3.005,-.1937,.136;-1.3679,2.7518,-2.4074;-1.0425,2.6572,.3333;-1.7321,-2.482,-2.3984;.0871,-.0067,.3358;-.0217,.1338,1.9252;1.0867,-.889,2.5004;-1.3855,-.0526,2.502;.673,1.5572,2.252;.1594,2.2486,1.7588;.6907,-1.4033,3.2344;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 14 14 -5.43663124 0.00288413 0.00100000 F 0.00101708 0.00066667 F 0.00288413 0.00101708 0.01649465 0.01000000 F 0.00468650 0.00666667 T Cartesian 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.8619,.157,-1.3486;1.0558,1.5101,-1.5749;-.785,1.7338,-1.1317;-1.0477,-1.5828,-1.0796;.831,-1.7246,-1.4622;1.9722,-.176,-1.2413;-1.5478,-2.4445,.337;3.0383,-.2916,-2.5909;3.0042,-.1963,.1351;-1.3631,2.7572,-2.4043;-1.0342,2.6547,.3348;-1.732,-2.4779,-2.4002;.0838,-.0059,.3355;-.0229,.1313,1.925;1.0897,-.8867,2.4977;-1.3865,-.0601,2.4994;.664,1.5565,2.2522;.1466,2.2431,1.7534;.7072,-1.3902,3.2465;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 15 15 -5.43665019 0.00167926 0.00100000 F 0.00056869 0.00066667 T 0.00167926 0.00056869 0.00708848 0.01000000 T 0.00203675 0.00666667 T Cartesian 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.8625,.1574,-1.3474;1.0545,1.5094,-1.5753;-.7854,1.7334,-1.1325;-1.0471,-1.5826,-1.0777;.8313,-1.7245,-1.4594;1.9723,-.1761,-1.24;-1.5452,-2.4472,.3379;3.0385,-.2928,-2.5891;3.0038,-.1939,.1367;-1.3641,2.7597,-2.4027;-1.0313,2.6534,.3353;-1.7302,-2.4768,-2.3995;.0816,-.0049,.3368;-.0235,.1326,1.9258;1.0885,-.8868,2.4954;-1.3863,-.0568,2.5017;.665,1.5578,2.2493;.1463,2.2424,1.7482;.7053,-1.3964,3.2394;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 16 16 -5.43665691 0.00159152 0.00100000 F 0.00046884 0.00066667 T 0.00159152 0.00046884 0.00772749 0.01000000 T 0.00205747 0.00666667 T Cartesian 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.8633,.1574,-1.3473;1.0527,1.5086,-1.5783;-.7862,1.7331,-1.1347;-1.046,-1.5821,-1.0755;.8323,-1.7244,-1.4559;1.9728,-.1755,-1.2399;-1.5436,-2.448,.3393;3.0393,-.2938,-2.5887;3.0038,-.1898,.1373;-1.3663,2.7614,-2.4029;-1.0288,2.6532,.3339;-1.7282,-2.4759,-2.3981;.0793,-.0034,.3372;-.0238,.1333,1.9266;1.0872,-.8873,2.4957;-1.3859,-.0552,2.5048;.6663,1.5582,2.2501;.1491,2.242,1.7461;.7009,-1.4041,3.2331;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 17 17 -5.43666075 0.00137534 0.00100000 F 0.00041786 0.00066667 T 0.00137534 0.00041786 0.01146475 0.01000000 F 0.00307833 0.00666667 T Cartesian 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.8644,.1575,-1.3468;1.0507,1.507,-1.5835;-.7872,1.7331,-1.137;-1.044,-1.5811,-1.0718;.8346,-1.7248,-1.4502;1.974,-.1746,-1.2406;-1.5429,-2.4481,.3425;3.0412,-.2952,-2.5888;3.0044,-.1833,.1374;-1.3702,2.7634,-2.4027;-1.0251,2.6532,.3327;-1.7254,-2.4743,-2.3956;.0767,-.0019,.3376;-.0247,.1338,1.9275;1.0859,-.887,2.4976;-1.3864,-.0543,2.5072;.6677,1.5582,2.2506;.1531,2.2414,1.7435;.6936,-1.4156,3.2233;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 18 18 -5.43665983 0.00110876 0.00100000 F 0.00040479 0.00066667 T 0.00110876 0.00040479 0.01359014 0.01000000 F 0.00372194 0.00666667 T Cartesian 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.8654,.1574,-1.346;1.0486,1.5048,-1.5902;-.7883,1.7334,-1.1391;-1.0413,-1.5796,-1.0668;.8379,-1.7255,-1.4434;1.9758,-.1732,-1.2422;-1.5427,-2.4463,.3468;3.0435,-.297,-2.5898;3.0054,-.1755,.1365;-1.3749,2.764,-2.4029;-1.0213,2.6543,.3309;-1.722,-2.4728,-2.3914;.0744,0,.3378;-.0258,.1343,1.9282;1.0843,-.8871,2.4994;-1.3876,-.0538,2.5079;.669,1.5574,2.2523;.1575,2.2417,1.7439;.6846,-1.4292,3.211;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 19 19 -5.43664925 0.00123552 0.00100000 F 0.00041952 0.00066667 T 0.00123552 0.00041952 0.00514422 0.01000000 T 0.00149909 0.00666667 T Cartesian 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.8656,.1576,-1.3451;1.0479,1.5038,-1.5926;-.7885,1.7339,-1.1387;-1.0401,-1.5787,-1.0647;.8394,-1.7258,-1.4413;1.9766,-.1727,-1.2434;-1.5429,-2.4451,.3487;3.0445,-.2979,-2.5906;3.0058,-.1728,.1355;-1.3768,2.7636,-2.4024;-1.0198,2.655,.3313;-1.7202,-2.472,-2.3895;.074,.0004,.338;-.0264,.1344,1.9284;1.0838,-.8862,2.501;-1.3885,-.0538,2.5074;.6687,1.5568,2.2523;.1588,2.2413,1.7424;.6808,-1.4343,3.2062;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 20 20 CONVERGED -5.43664409 0.00077286 0.00100000 T 0.00031318 0.00066667 T 0.00077286 0.00031318 0.00724271 0.01000000 T 0.00308191 0.00666667 T NOSYM -1 O O W W O Mo O O O O O O O P O O O H H 15.99491400 15.99491400 183.95093200 183.95093200 15.99491400 97.90540600 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 30.97376100 15.99491400 15.99491400 15.99491400 1.00782500 1.00782500 2537.21 185.90 2834.23 1.800372 35.027 46.510 54.690 66.658 70.752 77.564 99.945 109.568 118.881 132.436 144.891 149.900 157.778 181.170 184.440 187.065 199.342 202.549 232.757 271.547 274.756 277.231 336.949 342.257 347.397 351.405 366.084 453.523 469.468 475.909 507.433 530.996 536.787 574.647 598.434 714.042 719.075 806.355 843.749 858.632 880.219 905.649 918.648 944.761 950.096 968.816 1024.942 1123.722 1212.559 3355.089 3648.865 O O W W O Mo O O O O O O O P O O O H H -0.043 0.020 0.078 -0.050 -0.075 -0.144 -0.005 0.003 -0.012 0.014 0.028 0.027 0.016 -0.024 0.041 0.011 -0.016 -0.026 0.022 -0.032 -0.009 0.034 -0.078 -0.001 -0.011 0.097 -0.009 -0.069 0.001 0.016 0.144 0.042 -0.008 0.020 0.077 -0.010 0.008 0.019 -0.012 -0.037 -0.051 0.002 0.007 0.049 0.101 -0.059 -0.170 -0.087 -0.104 -0.046 0.065 -0.015 -0.072 -0.071 -0.270 -0.633 -0.589 0.060 0.012 -0.138 0.001 0.004 0.050 -0.006 0.031 -0.034 -0.019 -0.007 -0.029 0.013 -0.089 0.173 -0.047 -0.025 0.083 -0.208 0.050 -0.063 -0.107 -0.072 0.038 0.022 0.049 0.028 0.055 0.076 -0.022 -0.087 -0.025 -0.005 0.088 -0.012 -0.080 -0.040 -0.006 0.029 0.128 -0.038 0.049 0.397 0.214 -0.015 0.231 -0.332 0.197 -0.113 0.093 -0.039 -0.193 -0.028 -0.137 0.432 -0.182 -0.303 -0.009 -0.001 -0.019 -0.103 -0.114 -0.174 -0.045 0.020 -0.021 0.031 0.017 0.007 0.076 -0.107 0.217 -0.010 -0.021 0.037 -0.176 0.029 -0.061 0.020 -0.136 0.071 -0.031 0.244 0.053 -0.112 0.074 0.055 0.103 -0.020 0.025 0.170 0.052 -0.090 -0.028 -0.017 -0.010 0.044 -0.039 -0.015 -0.084 -0.279 -0.200 0.057 0.155 0.078 0.230 -0.120 -0.018 0.229 -0.040 0.100 0.155 0.389 0.457 0.026 0.011 -0.014 0.012 -0.011 0.032 0.007 0.013 0.001 0.017 0.010 0.029 0.026 -0.027 0.064 0.019 -0.018 -0.059 -0.057 -0.001 -0.006 -0.050 -0.031 -0.112 0.077 -0.012 -0.103 0.038 0.011 -0.014 -0.058 0.007 -0.005 0.057 0.034 -0.009 -0.019 -0.016 0.043 -0.077 -0.027 0.029 -0.043 -0.041 -0.062 -0.064 -0.082 0.044 -0.190 0.029 0.062 -0.243 0.002 0.076 0.272 0.595 0.614 0.105 -0.014 -0.193 0.035 0.081 0.056 0.015 0.031 -0.011 0.016 -0.023 0.025 0.023 -0.043 0.076 -0.041 0.021 -0.010 -0.038 0.127 0.100 -0.129 0.017 -0.081 0.043 0.025 -0.072 0.050 0.103 0.030 -0.058 -0.070 0.039 0.039 -0.155 0.101 -0.022 0.023 -0.039 -0.032 -0.042 -0.027 -0.078 -0.072 0.010 -0.056 -0.007 -0.078 0.059 -0.106 0.032 0.115 -0.058 0.047 -0.330 -0.591 -0.538 -0.031 0.043 0.022 0.028 0.053 0.070 -0.017 0.035 -0.120 -0.006 0.040 0.091 -0.056 0.116 -0.238 0.011 0.034 0.046 0.193 -0.007 0.135 0.163 0.147 0.156 -0.131 -0.132 0.151 0.026 0.043 -0.133 -0.053 -0.021 -0.098 -0.157 0.024 0.175 -0.016 -0.107 -0.026 0.036 -0.229 -0.023 0.073 -0.297 -0.221 0.084 -0.276 0.073 -0.011 -0.205 0.010 -0.047 -0.191 0.074 0.339 0.165 0.292 0.037 0.035 0.139 -0.060 -0.017 0.148 -0.070 0.088 -0.061 0.088 -0.000 0.027 0.052 -0.150 -0.047 -0.068 -0.096 0.068 0.091 -0.258 -0.129 -0.251 0.089 -0.096 0.115 -0.408 -0.067 -0.076 0.156 -0.000 -0.042 -0.038 0.022 0.069 0.252 -0.133 0.149 -0.234 0.040 0.049 -0.013 0.015 -0.052 0.058 0.343 -0.030 0.134 -0.122 0.116 -0.013 -0.145 0.093 -0.041 -0.164 -0.239 0.005 0.195 -0.088 0.004 -0.067 0.016 -0.024 0.125 -0.035 -0.056 -0.001 0.003 0.071 0.027 0.027 0.044 0.029 0.074 -0.013 -0.053 -0.150 0.053 -0.036 0.104 0.048 -0.035 0.024 -0.108 -0.015 0.090 -0.052 -0.059 -0.194 -0.084 -0.013 0.128 0.094 -0.055 -0.145 -0.031 0.018 -0.015 -0.007 0.031 -0.004 0.016 0.055 0.025 0.057 0.144 0.126 -0.055 -0.079 0.138 -0.027 -0.042 -0.254 -0.582 -0.554 0.059 0.015 -0.236 -0.098 -0.155 -0.137 -0.047 0.037 0.046 0.064 0.024 -0.012 0.038 -0.097 -0.125 0.009 -0.114 -0.066 0.134 0.182 0.105 0.285 -0.108 0.152 -0.260 -0.201 0.128 -0.051 0.266 0.237 -0.075 -0.154 0.175 -0.038 -0.139 0.149 -0.077 -0.017 -0.070 -0.038 0.059 -0.066 0.042 0.152 -0.056 -0.007 0.006 -0.008 -0.127 0.119 -0.168 -0.237 0.034 -0.198 0.135 0.264 0.084 0.134 -0.019 -0.124 -0.017 0.001 -0.047 0.017 0.063 -0.051 -0.029 -0.092 -0.007 -0.030 0.084 -0.102 0.013 0.039 -0.121 -0.057 -0.152 -0.050 0.209 0.084 0.035 -0.178 0.110 0.014 -0.020 0.158 0.051 0.200 0.035 -0.009 0.006 -0.074 -0.035 -0.152 -0.131 0.250 -0.034 -0.025 0.234 -0.065 0.007 0.406 0.029 0.084 0.446 0.072 -0.033 0.103 0.184 -0.062 -0.044 -0.216 -0.064 0.264 0.041 0.027 -0.039 0.094 0.124 0.059 0.071 -0.020 0.013 -0.027 -0.040 0.100 -0.027 0.003 -0.034 -0.053 0.054 -0.041 -0.144 -0.327 -0.108 0.078 0.045 0.060 -0.183 0.272 0.052 0.122 0.139 0.122 -0.031 -0.171 0.101 0.054 0.261 -0.146 -0.072 -0.182 -0.147 -0.022 0.004 -0.147 0.017 0.097 -0.083 -0.033 0.007 -0.181 -0.044 0.046 -0.389 -0.189 -0.038 -0.388 0.060 0.134 -0.030 0.026 -0.008 0.004 0.010 0.036 0.063 0.003 0.048 0.047 0.040 -0.028 0.010 0.029 -0.074 0.083 -0.077 -0.023 -0.039 0.145 -0.177 -0.040 0.003 -0.022 0.025 -0.191 -0.160 0.040 0.086 -0.172 -0.175 0.043 0.318 -0.109 0.112 0.019 -0.059 -0.218 0.143 -0.041 -0.053 0.030 -0.016 -0.000 -0.029 -0.244 0.016 0.011 0.137 0.016 -0.006 -0.031 0.055 0.040 -0.004 -0.042 -0.411 -0.564 -0.007 0.059 0.003 0.039 -0.053 0.052 -0.019 0.020 0.001 0.009 0.009 -0.027 -0.054 -0.025 -0.010 0.006 -0.023 -0.001 0.402 -0.195 -0.011 -0.042 -0.447 0.001 0.047 0.365 -0.030 0.256 0.078 -0.083 -0.397 -0.111 0.014 -0.224 0.106 0.027 -0.016 0.020 0.047 0.003 0.002 0.043 -0.014 -0.016 0.050 0.011 0.052 0.082 0.073 -0.028 0.077 0.034 0.033 0.228 -0.094 -0.170 -0.116 -0.082 0.011 -0.063 -0.022 -0.031 -0.002 0.038 -0.115 -0.008 0.078 0.094 -0.039 0.037 -0.147 -0.042 -0.166 -0.025 0.031 0.214 0.183 0.058 -0.279 0.288 -0.080 -0.104 0.230 -0.015 0.203 -0.002 0.012 0.295 -0.047 0.001 -0.151 0.073 0.088 -0.155 -0.134 0.053 -0.076 -0.032 0.093 -0.049 -0.005 0.075 -0.008 0.023 0.269 -0.063 0.005 -0.175 -0.058 -0.099 -0.354 0.045 0.180 0.273 -0.118 0.013 -0.056 -0.073 -0.130 0.019 -0.049 0.008 -0.006 -0.060 -0.020 0.004 -0.036 0.110 0.034 0.130 -0.010 0.079 0.233 -0.204 -0.003 -0.083 0.094 -0.093 0.353 -0.007 -0.078 0.208 0.301 0.112 0.313 0.061 0.028 0.095 -0.168 0.023 -0.186 -0.002 -0.048 -0.085 0.028 -0.050 -0.014 0.027 -0.191 -0.017 0.025 0.114 -0.054 0.033 -0.189 -0.025 -0.030 -0.333 0.020 -0.159 -0.318 0.040 -0.004 0.083 -0.097 -0.189 0.065 -0.056 0.066 0.058 0.008 -0.053 -0.011 0.061 -0.161 0.001 0.065 -0.091 -0.019 -0.223 0.186 0.046 0.162 0.387 0.008 0.059 0.342 -0.014 0.331 -0.081 -0.239 -0.078 0.301 -0.083 -0.269 0.007 0.088 0.082 -0.142 -0.036 0.035 -0.078 -0.068 0.010 -0.003 0.121 -0.008 -0.035 -0.155 0.027 -0.047 -0.174 -0.034 -0.051 -0.113 -0.056 0.027 0.107 -0.069 -0.008 0.038 -0.062 -0.090 -0.151 -0.016 -0.033 -0.020 -0.018 0.001 0.018 -0.019 -0.044 0.059 -0.055 -0.025 -0.031 0.024 -0.123 -0.045 0.049 0.299 0.013 -0.144 -0.055 0.034 0.416 0.228 -0.017 -0.032 -0.123 0.025 0.163 -0.009 -0.055 0.145 0.193 0.025 0.076 0.085 0.029 0.049 0.010 -0.050 0.014 0.021 -0.141 0.033 0.036 0.394 0.100 0.138 0.493 0.085 0.069 0.017 0.096 -0.014 -0.080 0.015 -0.049 -0.063 0.021 0.001 -0.026 0.019 -0.039 0.006 0.040 -0.085 0.099 0.040 -0.034 0.025 -0.045 -0.052 -0.023 0.017 0.257 -0.013 0.102 -0.020 -0.024 -0.222 0.013 0.085 -0.071 -0.126 0.041 -0.408 0.317 -0.011 -0.096 0.154 0.001 -0.051 0.082 0.014 -0.009 0.008 -0.202 -0.003 0.055 0.121 -0.024 0.042 0.137 0.018 0.074 0.142 -0.043 -0.349 -0.501 0.003 0.092 0.012 0.041 -0.122 -0.061 0.088 0.049 -0.000 -0.082 0.058 -0.006 -0.059 -0.100 0.087 -0.005 -0.147 0.004 0.316 -0.171 -0.006 0.029 0.429 -0.023 0.019 0.240 -0.013 -0.394 -0.215 0.010 -0.325 -0.099 0.026 0.349 -0.282 0.001 -0.011 -0.034 0.004 -0.005 -0.024 -0.000 -0.012 -0.008 0.044 0.003 0.001 0.027 0.020 -0.018 -0.066 -0.056 -0.015 0.024 -0.037 -0.003 0.035 0.171 -0.007 -0.357 -0.191 -0.226 -0.585 0.021 0.010 0.049 0.005 -0.000 0.038 -0.082 0.180 -0.368 -0.004 0.043 0.074 -0.079 -0.064 -0.012 -0.202 -0.000 -0.066 0.104 -0.096 0.018 0.117 -0.198 -0.153 -0.165 0.037 0.031 0.070 0.107 -0.060 0.001 -0.008 0.002 -0.002 -0.021 0.047 -0.024 -0.033 0.040 -0.000 -0.015 0.041 0.010 -0.010 -0.077 -0.080 -0.025 -0.014 -0.027 -0.008 0.059 -0.091 0.034 0.385 -0.054 -0.012 -0.356 0.043 0.013 -0.003 -0.007 -0.025 -0.028 0.086 -0.027 0.389 0.002 0.101 -0.011 0.033 0.058 0.024 0.005 0.035 -0.002 -0.034 -0.246 0.011 0.132 0.078 0.010 -0.232 -0.093 0.021 -0.100 -0.074 0.046 -0.000 0.029 -0.012 -0.032 -0.048 -0.021 -0.115 -0.078 0.094 0.043 -0.091 0.153 -0.014 0.001 -0.281 -0.083 -0.100 -0.361 -0.269 -0.025 0.049 -0.070 0.004 0.374 0.014 -0.028 0.002 0.020 0.022 -0.015 0.034 -0.028 -0.000 -0.041 0.043 -0.356 -0.018 -0.040 0.019 -0.182 0.117 0.013 -0.070 -0.022 -0.020 0.013 0.104 -0.000 0.013 0.088 0.039 -0.096 -0.062 0.012 0.124 -0.074 -0.015 0.005 -0.015 0.005 -0.055 0.036 0.005 -0.018 -0.011 -0.161 0.001 0.089 0.161 -0.095 0.048 0.029 -0.119 0.032 0.031 -0.093 -0.454 -0.551 -0.060 0.047 0.057 -0.027 -0.042 -0.048 0.012 0.020 0.000 0.029 0.036 -0.007 0.065 -0.010 0.035 0.017 0.030 0.003 -0.188 -0.241 -0.266 -0.075 -0.017 -0.069 -0.064 -0.032 0.066 0.008 -0.090 -0.092 0.040 -0.114 0.081 -0.167 -0.267 0.300 -0.145 -0.170 0.023 -0.063 -0.033 0.015 0.177 0.179 -0.079 -0.127 0.118 -0.083 0.077 -0.122 0.094 0.040 0.023 0.353 0.495 0.039 -0.011 -0.051 -0.027 -0.007 0.054 -0.081 0.029 0.016 -0.028 -0.004 0.013 -0.006 0.002 0.005 0.096 -0.023 0.091 -0.024 0.008 -0.043 -0.017 -0.026 -0.309 0.020 -0.332 -0.310 0.051 0.328 -0.094 0.216 0.251 -0.170 0.281 -0.245 -0.038 0.002 0.026 -0.092 0.129 -0.014 0.017 0.008 -0.015 -0.029 0.013 0.080 0.015 -0.137 -0.069 0.124 -0.031 -0.012 0.168 0.067 0.104 -0.049 0.267 0.267 -0.007 -0.009 0.073 -0.015 -0.041 -0.053 0.010 0.010 -0.002 -0.018 -0.035 -0.005 -0.005 0.025 0.056 0.012 0.016 -0.000 0.150 0.222 0.220 -0.027 0.007 -0.033 -0.027 -0.026 0.028 0.003 0.004 -0.009 -0.008 -0.020 -0.002 0.084 0.152 -0.203 -0.145 -0.143 0.012 -0.091 -0.084 -0.000 0.212 0.221 -0.040 -0.152 0.131 -0.066 0.093 -0.185 0.070 0.054 -0.004 0.393 0.601 0.119 0.097 0.057 0.021 0.035 -0.031 -0.055 0.129 -0.026 0.050 -0.004 -0.016 -0.019 -0.004 0.004 0.071 0.061 0.090 -0.010 -0.010 0.063 0.078 0.079 -0.203 -0.009 -0.266 -0.278 0.035 0.272 0.050 -0.239 -0.293 0.231 -0.383 0.324 0.025 0.052 -0.078 0.045 0.031 -0.031 0.031 0.064 -0.060 -0.098 -0.059 0.002 0.088 -0.063 0.047 -0.069 0.097 0.007 0.012 -0.012 -0.252 -0.303 0.020 -0.053 -0.039 -0.001 0.059 0.018 0.010 0.011 0.001 0.011 -0.002 0.014 -0.008 0.002 -0.020 0.011 -0.089 -0.021 -0.018 0.007 -0.036 0.014 -0.004 0.034 0.002 0.060 0.084 0.020 -0.072 0.005 -0.021 -0.042 0.029 -0.086 0.057 0.011 -0.003 0.002 -0.147 0.174 -0.034 -0.079 0.084 -0.024 -0.088 0.127 0.050 -0.020 -0.299 -0.005 0.259 -0.071 -0.023 0.480 0.125 0.044 -0.019 0.534 0.405 0.014 -0.005 0.041 -0.004 -0.019 0.034 -0.001 0.004 -0.008 0.009 -0.007 -0.006 -0.046 0.092 -0.001 -0.005 -0.019 -0.006 -0.014 0.013 -0.003 0.011 0.005 -0.001 -0.004 0.015 -0.012 -0.002 0.004 -0.021 0.001 -0.057 0.045 -0.006 -0.004 -0.003 -0.107 0.257 0.156 0.048 -0.053 0.210 0.128 -0.134 -0.021 -0.153 0.048 -0.215 0.002 0.064 -0.174 -0.000 -0.254 -0.654 0.382 -0.203 0.074 -0.218 0.026 -0.011 0.045 0.018 -0.027 0.011 0.014 0.002 0.017 -0.017 0.005 0.006 0.009 -0.045 -0.007 -0.009 0.010 -0.029 0.007 0.003 -0.009 0.005 0.026 0.067 0.003 -0.032 -0.009 -0.017 -0.015 0.008 -0.041 0.033 -0.003 0.013 0.003 -0.393 0.179 -0.189 0.148 -0.106 -0.121 0.030 -0.060 0.242 0.166 0.182 -0.046 -0.188 -0.037 0.109 -0.418 -0.102 0.240 -0.256 0.259 0.340 -0.072 0.055 0.018 -0.102 -0.196 0.056 0.027 0.005 -0.006 0.004 -0.010 -0.005 0.025 0.033 0.033 -0.019 0.042 -0.006 0.039 0.074 0.045 0.011 -0.014 0.024 0.031 -0.031 -0.038 -0.025 -0.004 0.015 -0.041 0.023 -0.021 -0.008 -0.003 -0.026 -0.344 -0.420 0.132 0.130 0.184 0.074 -0.092 -0.163 -0.084 0.056 -0.180 -0.248 0.061 0.262 0.107 -0.138 0.244 0.260 -0.355 -0.119 -0.197 -0.336 0.039 -0.103 0.251 0.525 -0.306 -0.028 0.019 0.012 -0.030 -0.015 0.007 0.221 -0.477 -0.187 0.082 -0.020 0.016 0.034 0.021 0.033 -0.037 0.001 -0.063 -0.007 0.008 0.083 0.037 -0.024 -0.032 0.007 0.005 0.028 0.027 0.017 -0.028 -0.035 -0.104 0.020 0.013 0.059 0.177 -0.001 -0.063 -0.041 -0.068 -0.060 -0.050 0.046 0.087 -0.009 0.003 0.034 -0.058 0.104 -0.110 -0.015 0.443 -0.146 0.181 0.175 0.442 -0.267 -0.052 -0.020 0.006 0.010 0.031 -0.010 -0.106 0.367 0.139 0.004 -0.129 0.009 0.008 -0.000 -0.021 -0.003 0.045 -0.005 0.020 0.047 0.003 0.066 0.027 -0.010 0.026 0.012 -0.001 -0.024 -0.023 0.016 -0.213 -0.160 0.020 0.037 0.023 -0.040 -0.018 -0.021 0.007 0.043 -0.016 -0.053 -0.005 0.033 0.032 -0.214 0.080 0.309 -0.146 0.020 -0.033 0.626 -0.091 0.247 -0.089 -0.112 0.068 -0.015 -0.035 -0.008 -0.067 0.049 0.003 0.238 -0.509 -0.232 0.035 0.090 0.004 0.040 -0.029 -0.002 -0.018 -0.042 -0.016 0.020 -0.031 0.027 0.018 0.042 0.017 0.008 -0.006 -0.021 0.053 -0.039 -0.005 -0.246 0.137 -0.025 0.036 -0.019 -0.023 0.013 -0.018 0.049 0.026 0.026 -0.046 -0.025 -0.004 0.017 -0.047 -0.044 -0.023 -0.048 0.079 0.092 0.001 0.003 0.002 -0.015 0.015 -0.009 0.002 -0.000 0.001 -0.000 0.000 0.000 0.010 0.008 0.001 0.000 -0.002 0.001 0.001 0.001 -0.001 -0.003 -0.001 0.003 0.001 0.000 -0.002 0.005 -0.003 0.006 -0.030 0.010 -0.001 0.000 0.001 0.002 -0.020 -0.037 -0.015 0.002 0.001 -0.019 0.006 0.006 -0.007 0.012 0.016 -0.002 -0.035 -0.004 0.076 0.652 -0.093 -0.741 0.034 0.051 0.043 -0.144 -0.566 -0.025 -0.479 0.177 0.085 0.055 0.027 -0.006 -0.038 0.020 0.003 0.529 0.198 -0.045 -0.016 -0.059 0.001 0.034 -0.022 -0.000 0.001 -0.045 0.004 0.001 0.032 -0.007 0.022 0.016 -0.003 -0.036 -0.021 0.004 -0.042 0.039 0.002 0.027 0.025 -0.000 -0.003 -0.001 0.006 -0.001 0.001 0.001 -0.005 -0.003 0.005 0.010 -0.002 -0.016 -0.140 0.021 0.164 -0.001 -0.010 -0.008 -0.094 -0.606 0.003 -0.117 0.052 0.003 0.021 0.034 0.003 0.038 0.040 -0.006 -0.666 -0.299 0.048 0.062 0.039 0.002 -0.051 -0.078 0.093 -0.031 0.015 0.034 -0.048 -0.010 -0.032 0.023 -0.015 0.023 0.002 -0.054 -0.047 -0.040 -0.054 -0.087 -0.039 -0.042 0.019 -0.000 -0.008 -0.010 0.001 -0.011 0.002 0.005 -0.006 -0.011 -0.005 0.034 0.002 0.099 0.046 -0.060 -0.014 0.004 0.006 -0.055 -0.435 -0.007 0.663 -0.374 -0.067 -0.036 0.046 0.017 -0.017 0.019 0.000 0.233 0.090 -0.014 -0.065 0.031 -0.005 0.004 -0.018 0.012 0.035 0.008 -0.040 0.059 -0.010 0.044 0.027 -0.058 0.065 0.049 -0.124 -0.135 -0.017 0.006 -0.008 0.027 -0.034 0.016 0.000 -0.017 0.001 -0.002 -0.005 -0.008 -0.002 -0.002 -0.002 -0.024 0.042 -0.014 0.250 0.092 -0.148 0.004 -0.022 -0.017 0.026 0.013 0.010 -0.016 -0.009 0.012 0.001 -0.003 0.003 0.001 0.002 0.001 -0.001 0.022 0.013 -0.003 -0.001 0.001 -0.008 -0.013 0.008 0.002 -0.000 -0.000 0.005 -0.000 0.002 -0.006 0.011 -0.010 0.006 -0.001 -0.009 -0.002 -0.003 0.000 0.018 -0.028 -0.374 -0.166 -0.043 -0.061 0.338 -0.313 0.187 -0.251 -0.031 0.123 0.193 0.441 0.092 0.123 0.391 0.089 0.098 -0.210 0.163 -0.051 0.051 -0.040 -0.013 0.061 -0.037 -0.002 0.008 0.010 -0.006 -0.010 -0.012 0.030 -0.048 -0.041 0.019 -0.005 -0.015 -0.002 -0.002 0.006 -0.123 0.013 0.139 -0.009 0.001 -0.010 0.033 -0.061 0.061 0.035 -0.096 -0.131 0.094 0.124 0.167 -0.028 0.082 0.656 -0.099 -0.110 -0.345 0.131 -0.080 0.035 0.019 0.016 -0.020 0.065 0.194 -0.003 0.186 0.274 0.076 -0.288 0.035 -0.112 -0.009 -0.033 -0.001 0.030 -0.014 -0.003 -0.002 -0.000 -0.014 -0.001 0.001 0.001 0.000 -0.007 -0.003 0.001 0.003 0.000 0.008 0.011 -0.015 -0.006 0.001 0.006 -0.007 -0.002 -0.008 0.027 -0.046 0.058 -0.024 0.069 0.102 -0.002 -0.002 -0.005 0.015 -0.010 0.069 -0.077 0.360 -0.049 0.376 -0.301 0.126 -0.022 -0.009 0.001 -0.187 -0.396 -0.100 0.163 0.071 0.162 -0.525 0.214 0.043 0.019 0.086 -0.012 -0.088 0.042 -0.002 0.008 0.006 0.084 0.003 -0.002 0.002 -0.005 0.005 0.002 0.000 -0.006 0.001 -0.001 -0.000 0.001 0.014 -0.003 -0.015 0.011 0.001 0.014 -0.152 0.263 -0.333 0.100 -0.380 -0.619 -0.011 -0.016 -0.021 0.004 -0.011 -0.055 0.006 0.072 0.045 0.048 -0.051 0.016 0.012 -0.001 -0.009 -0.096 -0.097 -0.056 0.335 0.251 0.107 -0.090 0.028 0.006 -0.007 0.012 -0.019 -0.003 0.007 -0.002 -0.002 0.004 -0.000 0.008 0.004 0.094 0.012 -0.003 -0.017 0.011 -0.003 -0.043 0.175 0.299 -0.510 -0.146 0.018 0.182 0.064 -0.000 0.091 0.022 -0.037 0.044 0.006 -0.018 -0.028 -0.278 -0.365 -0.551 0.013 0.032 0.090 -0.015 -0.029 -0.053 0.013 -0.004 0.005 0.002 0.009 0.005 0.015 0.041 0.005 0.041 0.056 0.014 -0.025 -0.012 -0.022 -0.006 0.017 -0.012 -0.020 0.023 -0.021 -0.003 0.008 -0.001 0.000 -0.003 0.025 -0.006 -0.017 -0.027 -0.014 0.008 0.174 0.057 0.098 -0.169 0.441 -0.053 -0.565 -0.333 0.001 -0.473 0.042 -0.075 0.088 0.012 -0.042 -0.067 -0.050 -0.064 -0.102 -0.025 0.024 0.111 -0.024 -0.026 -0.066 0.018 -0.016 0.014 0.020 0.008 -0.003 0.008 0.040 0.004 0.063 0.086 0.031 -0.040 -0.002 -0.006 -0.020 -0.075 -0.005 0.173 -0.097 -0.020 0.009 -0.033 0.015 -0.004 0.008 0.001 0.103 0.045 -0.010 0.093 0.000 0.031 -0.013 -0.025 0.038 -0.273 0.031 0.318 -0.387 0.001 -0.509 -0.176 0.310 -0.372 -0.036 0.144 0.221 -0.023 -0.031 -0.044 0.017 -0.016 0.018 -0.003 -0.007 -0.011 -0.003 0.000 0.003 0.009 0.002 -0.004 0.005 0.011 0.006 -0.010 -0.011 -0.025 0.010 -0.004 0.007 0.026 0.183 0.005 -0.047 0.011 0.013 -0.021 0.031 -0.012 0.022 0.033 -0.013 0.140 0.059 -0.007 0.048 -0.016 0.005 -0.159 -0.270 0.440 -0.159 0.018 0.189 -0.173 0.002 -0.224 0.174 -0.306 0.367 0.041 -0.152 -0.237 -0.156 -0.207 -0.289 0.009 0.023 -0.058 0.011 0.017 0.033 -0.013 0.004 -0.003 0.001 -0.005 -0.004 -0.009 -0.022 -0.004 -0.026 -0.022 0.021 0.045 -0.020 0.010 -0.038 0.036 -0.015 0.029 0.015 -0.018 0.013 -0.031 0.007 0.026 0.039 -0.003 0.060 -0.011 -0.018 -0.062 0.002 0.003 -0.139 -0.237 0.375 0.186 -0.021 -0.224 0.169 -0.000 0.214 -0.126 0.220 -0.265 -0.031 0.127 0.199 -0.179 -0.236 -0.338 0.003 0.025 0.202 -0.035 -0.042 -0.088 0.048 -0.013 0.001 0.026 0.011 -0.008 0.009 0.047 0.002 0.141 0.147 0.026 -0.298 0.152 -0.055 0.002 -0.000 0.001 -0.001 -0.000 0.001 -0.000 0.001 -0.000 -0.000 -0.001 0.000 -0.001 0.001 0.001 0.001 -0.000 0.000 0.002 0.004 -0.006 -0.003 0.000 0.003 -0.005 0.000 -0.007 0.002 -0.004 0.005 0.001 -0.003 -0.005 0.003 0.003 0.005 0.007 -0.002 -0.010 0.019 -0.036 0.030 0.051 0.032 -0.050 -0.054 0.005 0.011 0.014 0.007 0.006 -0.039 -0.071 -0.054 -0.839 0.499 -0.156 -0.003 -0.005 -0.001 0.006 -0.001 -0.002 0.000 0.001 0.004 0.000 0.001 0.000 0.001 -0.002 -0.002 -0.002 0.000 0.001 -0.001 -0.003 0.003 0.004 -0.000 -0.005 0.003 -0.000 0.003 -0.005 0.009 -0.013 -0.001 -0.009 -0.030 -0.003 -0.004 -0.006 0.001 -0.008 0.008 -0.010 0.034 -0.029 0.007 -0.002 0.007 -0.012 -0.009 0.012 0.061 -0.009 0.052 -0.588 -0.708 -0.373 0.049 -0.007 0.022 -0.008 0.000 -0.005 0.002 0.004 -0.005 0.001 -0.002 0.001 0.001 0.002 0.001 0.001 -0.005 -0.005 -0.002 0.000 0.004 -0.005 -0.006 0.012 0.008 -0.001 -0.011 0.002 -0.000 -0.003 -0.005 0.008 -0.011 -0.004 0.004 0.005 -0.006 -0.007 -0.012 -0.023 0.005 0.053 0.396 0.063 -0.168 -0.085 0.028 0.001 -0.640 -0.091 0.271 -0.056 -0.059 -0.019 0.155 0.169 0.087 0.424 -0.238 0.058 -0.000 -0.001 0.000 0.001 -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 -0.001 -0.001 -0.003 0.000 0.000 0.000 0.000 0.000 0.001 -0.000 -0.002 -0.000 -0.000 0.001 0.000 0.001 0.001 -0.000 0.031 -0.044 0.031 -0.475 0.734 -0.480 0.002 0.004 -0.005 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 0.000 -0.000 0.001 0.000 0.001 -0.001 0.023 0.036 -0.045 0.001 -0.000 0.000 0.000 -0.001 0.000 -0.004 0.004 -0.003 -0.389 -0.571 0.721 35.027024 46.510215 54.690439 66.658162 70.751711 77.564267 99.945340 109.567697 118.880943 132.435790 144.891308 149.899847 157.777772 181.170209 184.440041 187.065475 199.341665 202.548925 232.756760 271.547455 274.755811 277.231282 336.948556 342.257035 347.396703 351.405420 366.084214 453.522796 469.468154 475.909299 507.432963 530.995904 536.787222 574.647248 598.434096 714.041762 719.074971 806.354562 843.749460 858.632181 880.219311 905.649162 918.648456 944.761309 950.095816 968.815777 1024.941504 1123.721622 1212.558860 3355.088578 3648.865154 3294.009517 567.367163 1236.125177 1967.445335 571.974279 361.071152 85.903236 346.606376 192.803800 1688.789223 211.953002 89.688177 23.266358 67.515880 249.851852 227.392176 404.374308 1028.484661 7.272013 889.076016 339.593685 295.127648 536.240804 273.905336 231.264576 390.874008 446.659671 896.755791 308.757651 655.450824 780.020820 343.979361 608.848901 1575.293814 9.430243 8844.903191 7993.685251 243.467748 5120.400105 2498.412604 2969.317953 455.683627 1708.604861 1147.882069 1023.382759 92.208216 229.782890 1042.500081 1544.497874 671.744651 259.161341 28.920524 6.614402 16.945404 32.872602 10.143586 7.019926 2.152039 9.519128 5.745210 56.060748 7.697682 3.369880 0.920137 3.065990 11.550901 10.662210 20.205040 52.216268 0.424263 60.514953 23.387541 20.508325 45.289917 23.498003 20.137840 34.428914 40.986026 101.941585 36.333057 78.188409 99.211711 45.782724 81.919967 226.903382 1.414547 1583.050492 1440.785360 49.209115 1082.917759 537.711585 655.127254 103.443090 393.431436 271.830035 243.715737 22.391794 59.032998 293.638438 469.427161 564.919125 237.031521 1.000000 298.150000 8103.8698 9345.5820 10104.4526 1 NOSYM 298.15 45.547 34.991 78.774 159.312 0.889 0.889 53.255 55.032 2.981 2.981 66.038 72.000 702.5859610000003 AuxInfo=1/0/N:6;15,17,13,16,14;1;2;5;7;8;9;10;11;12;3;4/E:;(1,2)(3,4);;;;;;;;;;;/CRV:;3.1,4.1,5.4;;;;;;;;;;;/rA:19nOOWWOMoO1O1O1O1O1O1O1P4OO1OHH/rB:;s1s2;s1;s4;s2s5;s4;s6;s6;s3;s3;s4;;s13;s14;s14;s14;s17;s15;/rC:-1.8656,.1576,-1.3451;1.0479,1.5038,-1.5926;-.7885,1.7339,-1.1387;-1.0401,-1.5787,-1.0647;.8394,-1.7258,-1.4413;1.9766,-.1727,-1.2434;-1.5429,-2.4451,.3487;3.0445,-.2979,-2.5906;3.0058,-.1728,.1355;-1.3768,2.7636,-2.4024;-1.0198,2.655,.3313;-1.7202,-2.472,-2.3895;.074,.0004,.338;-.0264,.1344,1.9284;1.0838,-.8862,2.501;-1.3885,-.0538,2.5074;.6687,1.5568,2.2523;.1588,2.2413,1.7424;.6808,-1.4343,3.2062;/R:/0/N:6,8,9,7,12,10,11,5,2,1,4,3;15,17,13,16,14/E:(2,3)(4,5,6,7)(8,9)(11,12);(1,2)(3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1;3.1,4.1,5.4 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 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 -8.230 -8.122 -8.067 -7.802 -7.694 -7.567 -7.403 -7.257 -7.130 -6.864 -4.090 -3.756 -3.300 -3.169 -2.671 -2.534 -2.117 -1.881 -1.374 -1.299 A A A A A A A A A A A A A A A A A A A A 0.00000000022373 0.00021148108027 0.00014309335551 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 8 8 8 8 8 8 8 8 8 8 8 8 8 74 74 42 15 1 1 -1.865551 0.157581 -1.345109 1.047879 1.503807 -1.592553 0.839424 -1.725847 -1.441288 -1.542911 -2.445064 0.348662 3.044534 -0.297921 -2.590572 3.005821 -0.172802 0.135544 -1.376787 2.763637 -2.402355 -1.019776 2.655028 0.331286 -1.720221 -2.472029 -2.389508 0.073992 0.000352 0.337966 1.083753 -0.886225 2.500993 -1.388487 -0.053790 2.507381 0.668690 1.556826 2.252250 -0.788463 1.733874 -1.138745 -1.040120 -1.578739 -1.064654 1.976644 -0.172667 -1.243407 -0.026448 0.134367 1.928439 0.158781 2.241325 1.742384 0.680847 -1.434311 3.206185 1 3 -3 -1.865551 0.157581 -1.345109 Rho 0.3189417E+03 3,-3 2 3 -3 1.047879 1.503807 -1.592553 Rho 0.3189872E+03 3,-3 3 3 -3 0.839424 -1.725847 -1.441288 Rho 0.3189903E+03 3,-3 4 3 -3 -1.542911 -2.445064 0.348662 Rho 0.3193792E+03 3,-3 5 3 -3 3.044534 -0.297921 -2.590572 Rho 0.3195125E+03 3,-3 6 3 -3 3.005821 -0.172802 0.135544 Rho 0.3195262E+03 3,-3 7 3 -3 -1.376787 2.763637 -2.402355 Rho 0.3193671E+03 3,-3 8 3 -3 -1.019776 2.655028 0.331286 Rho 0.3192988E+03 3,-3 9 3 -3 -1.720221 -2.472029 -2.389508 Rho 0.3193532E+03 3,-3 10 3 -3 0.073992 0.000352 0.337966 Rho 0.3187308E+03 3,-3 11 3 -3 1.083753 -0.886225 2.500993 Rho 0.3186782E+03 3,-3 12 3 -3 -1.388487 -0.053790 2.507381 Rho 0.3190210E+03 3,-3 13 3 -3 0.668690 1.556826 2.252250 Rho 0.3187144E+03 3,-3 14 3 -3 -0.788463 1.733874 -1.138745 Rho 0.4361415E+07 3,-3 15 3 -3 -1.040120 -1.578739 -1.064654 Rho 0.4361415E+07 3,-3 16 3 -3 1.976644 -0.172667 -1.243407 Rho 0.1240644E+06 3,-3 17 3 -3 -0.026448 0.134367 1.928439 Rho 0.2439684E+04 3,-3 18 3 -3 0.158781 2.241325 1.742384 Rho 0.4427946E+00 3,-3 19 3 -3 0.680847 -1.434311 3.206185 Rho 0.4560422E+00 3,-3 20 3 +1 -0.276065 1.460649 0.900170 Rho 0.1238225E-01 |GRAD(Rho)| 0.5997965E-16 GRAD(Rho)x 0.4572856E-16 GRAD(Rho)y -0.2320002E-16 GRAD(Rho)z 0.3111618E-16 Laplacian 0.5325726E-01 (-1/4)Del**2(Rho)) -0.1331432E-01 Diamond 0.2111855E-02 Metallicity 0.8574995E+00 Ellipticity -0.1369983E+01 Gb(Abramov) 0.1077905E-01 Vb(Abramov) -0.8243778E-02 Hb(Abramov) 0.2535269E-02 Ex_ueg -0.2115687E-02 Ec_ueg -0.4772439E-03 Delta_ex -0.2607459E-02 Delta_ec 0.6338954E-03 Delta_et -0.4833046E-02 Pxc 0.4433136E+01 Qxc -0.4113390E+01 3,+1 21 3 -1 -0.469708 -0.764134 -0.325660 Rho 0.4894384E-01 |GRAD(Rho)| 0.8710668E-16 GRAD(Rho)x 0.3612744E-16 GRAD(Rho)y 0.5868964E-16 GRAD(Rho)z 0.5327202E-16 Laplacian 0.1909334E+00 (-1/4)Del**2(Rho)) -0.4773336E-01 Diamond 0.9164490E-01 Metallicity 0.2363530E+01 Ellipticity 0.2424717E-01 Gb(Abramov) 0.5062545E-01 Vb(Abramov) -0.5351754E-01 Hb(Abramov) -0.2892088E-02 Ex_ueg -0.1322257E-01 Ec_ueg -0.2356577E-02 Delta_ex -0.1552666E-01 Delta_ec 0.5501876E-02 Delta_et -0.5764302E-01 Pxc 0.5610921E+01 Qxc -0.2822067E+01 3,-1 22 3 -1 -1.313750 -2.049849 -0.298247 Rho 0.2481528E+00 |GRAD(Rho)| 0.3464023E-15 GRAD(Rho)x -0.1609769E-15 GRAD(Rho)y 0.2790194E-15 GRAD(Rho)z -0.1273938E-15 Laplacian 0.8762799E+00 (-1/4)Del**2(Rho)) -0.2190700E+00 Diamond 0.3249495E+01 Metallicity 0.7706117E+01 Ellipticity 0.1557479E-02 Gb(Abramov) 0.4274098E+00 Vb(Abramov) -0.6357496E+00 Hb(Abramov) -0.2083398E+00 Ex_ueg -0.1151712E+00 Ec_ueg -0.1500451E-01 Delta_ex -0.1069200E+00 Delta_ec 0.1937607E-01 Delta_et -0.2696271E+00 Pxc 0.7675772E+01 Qxc -0.5518144E+01 3,-1 23 3 -1 -0.347124 0.843457 -0.363393 Rho 0.4453521E-01 |GRAD(Rho)| 0.1285103E-15 GRAD(Rho)x -0.6094233E-16 GRAD(Rho)y 0.2279281E-16 GRAD(Rho)z -0.1108216E-15 Laplacian 0.1704055E+00 (-1/4)Del**2(Rho)) -0.4260138E-01 Diamond 0.7052866E-01 Metallicity 0.2262743E+01 Ellipticity 0.3055538E-01 Gb(Abramov) 0.4446692E-01 Vb(Abramov) -0.4633246E-01 Hb(Abramov) -0.1865536E-02 Ex_ueg -0.1165887E-01 Ec_ueg -0.2115104E-02 Delta_ex -0.1346047E-01 Delta_ec 0.4787405E-02 Delta_et -0.4890990E-01 Pxc 0.5512194E+01 Qxc -0.2811642E+01 3,-1 24 3 +1 -0.815434 0.141340 -0.553319 Rho 0.2966225E-01 |GRAD(Rho)| 0.2873373E-16 GRAD(Rho)x 0.1405105E-16 GRAD(Rho)y 0.1054143E-16 GRAD(Rho)z -0.2273925E-16 Laplacian 0.1168840E+00 (-1/4)Del**2(Rho)) -0.2922099E-01 Diamond 0.1910089E-01 Metallicity 0.1675708E+01 Ellipticity -0.6534878E+01 Gb(Abramov) 0.2764163E-01 Vb(Abramov) -0.2606228E-01 Hb(Abramov) 0.1579355E-02 Ex_ueg -0.6781470E-02 Ec_ueg -0.1326199E-02 Delta_ex -0.7589830E-02 Delta_ec 0.1945346E-02 Delta_et -0.1789823E-01 Pxc 0.5113464E+01 Qxc -0.3901531E+01 3,+1 25 3 -1 -1.349585 0.886070 -1.238061 Rho 0.1497976E+00 |GRAD(Rho)| 0.1191376E-13 GRAD(Rho)x 0.1035901E-14 GRAD(Rho)y -0.9366314E-14 GRAD(Rho)z 0.7289491E-14 Laplacian 0.5851624E+00 (-1/4)Del**2(Rho)) -0.1462906E+00 Diamond 0.1182238E+01 Metallicity 0.4975596E+01 Ellipticity 0.4420954E-01 Gb(Abramov) 0.2188409E+00 Vb(Abramov) -0.2913911E+00 Hb(Abramov) -0.7255027E-01 Ex_ueg -0.5875683E-01 Ec_ueg -0.8430561E-02 Delta_ex -0.6280338E-01 Delta_ec 0.1482210E-01 Delta_et -0.1972057E+00 Pxc 0.6969504E+01 Qxc -0.4237146E+01 3,-1 26 3 -1 0.765753 -1.310291 3.049094 Rho 0.3334230E+00 |GRAD(Rho)| 0.4100905E-13 GRAD(Rho)x 0.2734191E-13 GRAD(Rho)y 0.2131037E-13 GRAD(Rho)z 0.2190958E-13 Laplacian -0.1796209E+01 (-1/4)Del**2(Rho)) 0.4490523E+00 Diamond 0.6496157E+01 Metallicity -0.6150572E+01 Ellipticity 0.1397316E-01 Gb(Abramov) 0.1609532E+00 Vb(Abramov) -0.7709587E+00 Hb(Abramov) -0.6100055E+00 Ex_ueg -0.1707572E+00 Ec_ueg -0.2113716E-01 Delta_ex 0.1821155E+00 Delta_ec 0.6206769E-01 Delta_et -0.1500644E+01 Pxc 0.8078531E+01 Qxc 0.2934144E+01 3,-1 27 3 +1 0.642918 -0.659994 -0.611083 Rho 0.2672826E-01 |GRAD(Rho)| 0.3895265E-16 GRAD(Rho)x 0.2764175E-16 GRAD(Rho)y 0.8244139E-17 GRAD(Rho)z -0.2617779E-16 Laplacian 0.1041023E+00 (-1/4)Del**2(Rho)) -0.2602558E-01 Diamond 0.1312300E-01 Metallicity 0.1581627E+01 Ellipticity -0.2604999E+01 Gb(Abramov) 0.2421085E-01 Vb(Abramov) -0.2239611E-01 Hb(Abramov) 0.1814734E-02 Ex_ueg -0.5902184E-02 Ec_ueg -0.1176117E-02 Delta_ex -0.6412157E-02 Delta_ec 0.1446352E-02 Delta_et -0.1303511E-01 Pxc 0.5018364E+01 Qxc -0.4433330E+01 3,+1 28 3 -1 0.408395 -0.282344 2.168264 Rho 0.1820200E+00 |GRAD(Rho)| 0.1984124E-12 GRAD(Rho)x -0.1288567E-12 GRAD(Rho)y 0.1295957E-12 GRAD(Rho)z -0.7725520E-13 Laplacian 0.4823228E+00 (-1/4)Del**2(Rho)) -0.1205807E+00 Diamond 0.1450498E+01 Metallicity 0.8352324E+01 Ellipticity 0.9326627E-01 Gb(Abramov) 0.2482420E+00 Vb(Abramov) -0.3759032E+00 Hb(Abramov) -0.1276613E+00 Ex_ueg -0.7618637E-01 Ec_ueg -0.1052389E-01 Delta_ex -0.5602589E-01 Delta_ec 0.1463336E-01 Delta_et -0.2084851E+00 Pxc 0.7239377E+01 Qxc -0.3828641E+01 3,-1 29 3 -1 0.999472 -0.079479 -0.419745 Rho 0.3731504E-01 |GRAD(Rho)| 0.2134043E-15 GRAD(Rho)x 0.1831221E-15 GRAD(Rho)y -0.1758124E-16 GRAD(Rho)z -0.1081602E-15 Laplacian 0.1499282E+00 (-1/4)Del**2(Rho)) -0.3748204E-01 Diamond 0.5100469E-01 Metallicity 0.1915151E+01 Ellipticity 0.3944666E-01 Gb(Abramov) 0.3695199E-01 Vb(Abramov) -0.3642194E-01 Hb(Abramov) 0.5300519E-03 Ex_ueg -0.9209376E-02 Ec_ueg -0.1726742E-02 Delta_ex -0.1147015E-01 Delta_ec 0.4470441E-02 Delta_et -0.4360000E-01 Pxc 0.5333383E+01 Qxc -0.2565777E+01 3,-1 30 3 +1 1.774899 -0.461639 1.150431 Rho 0.5350332E-02 |GRAD(Rho)| 0.7350820E-17 GRAD(Rho)x 0.6030875E-17 GRAD(Rho)y -0.2888382E-18 GRAD(Rho)z -0.4192813E-17 Laplacian 0.2402895E-01 (-1/4)Del**2(Rho)) -0.6007238E-02 Diamond 0.6641635E-03 Metallicity 0.4693674E+00 Ellipticity -0.2761513E+01 Gb(Abramov) 0.4474759E-02 Vb(Abramov) -0.2942280E-02 Hb(Abramov) 0.1532479E-02 Ex_ueg -0.6911294E-03 Ec_ueg -0.1620200E-03 Delta_ex -0.1253236E-02 Delta_ec 0.8329774E-03 Delta_et -0.4586035E-02 Pxc 0.4265703E+01 Qxc -0.1504526E+01 3,+1 31 3 -1 1.920257 -0.522483 1.245707 Rho 0.5385066E-02 |GRAD(Rho)| 0.7698300E-15 GRAD(Rho)x -0.6639942E-15 GRAD(Rho)y 0.2455303E-15 GRAD(Rho)z -0.3024314E-15 Laplacian 0.2373553E-01 (-1/4)Del**2(Rho)) -0.5933883E-02 Diamond 0.8528114E-03 Metallicity 0.4803221E+00 Ellipticity 0.1377676E+01 Gb(Abramov) 0.4430951E-02 Vb(Abramov) -0.2928019E-02 Hb(Abramov) 0.1502932E-02 Ex_ueg -0.6971182E-03 Ec_ueg -0.1635212E-03 Delta_ex -0.1400117E-02 Delta_ec 0.1109675E-02 Delta_et -0.6016982E-02 Pxc 0.4263167E+01 Qxc -0.1261736E+01 3,-1 32 3 +1 0.693983 0.559609 -0.663306 Rho 0.2571233E-01 |GRAD(Rho)| 0.1071163E-16 GRAD(Rho)x -0.8007907E-17 GRAD(Rho)y 0.6933592E-17 GRAD(Rho)z -0.1593045E-17 Laplacian 0.9802843E-01 (-1/4)Del**2(Rho)) -0.2450711E-01 Diamond 0.1204525E-01 Metallicity 0.1574576E+01 Ellipticity -0.2876293E+01 Gb(Abramov) 0.2276945E-01 Vb(Abramov) -0.2103180E-01 Hb(Abramov) 0.1737653E-02 Ex_ueg -0.5604975E-02 Ec_ueg -0.1124645E-02 Delta_ex -0.6008749E-02 Delta_ec 0.1424129E-02 Delta_et -0.1270823E-01 Pxc 0.4983770E+01 Qxc -0.4219245E+01 3,+1 33 3 -1 1.473324 0.704225 -1.413764 Rho 0.1306647E+00 |GRAD(Rho)| 0.4284676E-15 GRAD(Rho)x 0.2859312E-15 GRAD(Rho)y -0.3155299E-15 GRAD(Rho)z 0.4763036E-16 Laplacian 0.5153658E+00 (-1/4)Del**2(Rho)) -0.1288415E+00 Diamond 0.8774660E+00 Metallicity 0.4498782E+01 Ellipticity 0.3617912E-01 Gb(Abramov) 0.1824992E+00 Vb(Abramov) -0.2361570E+00 Hb(Abramov) -0.5365778E-01 Ex_ueg -0.4896995E-01 Ec_ueg -0.7217522E-02 Delta_ex -0.5342792E-01 Delta_ec 0.1336553E-01 Delta_et -0.1739673E+00 Pxc 0.6784870E+01 Qxc -0.3997441E+01 3,-1 34 3 -1 2.549447 -0.239720 -1.963508 Rho 0.2356603E+00 |GRAD(Rho)| 0.3072314E-12 GRAD(Rho)x -0.1971570E-12 GRAD(Rho)y 0.2288051E-13 GRAD(Rho)z 0.2345139E-12 Laplacian 0.8483280E+00 (-1/4)Del**2(Rho)) -0.2120820E+00 Diamond 0.2937568E+01 Metallicity 0.7303425E+01 Ellipticity 0.1812791E-01 Gb(Abramov) 0.3995422E+00 Vb(Abramov) -0.5870024E+00 Hb(Abramov) -0.1874602E+00 Ex_ueg -0.1075062E+00 Ec_ueg -0.1413964E-01 Delta_ex -0.1020218E+00 Delta_ec 0.1886534E-01 Delta_et -0.2612468E+00 Pxc 0.7603181E+01 Qxc -0.5407896E+01 3,-1 35 3 -1 2.529822 -0.172929 -0.503921 Rho 0.2387439E+00 |GRAD(Rho)| 0.2085562E-16 GRAD(Rho)x -0.1187201E-16 GRAD(Rho)y 0.7766101E-17 GRAD(Rho)z 0.1528725E-16 Laplacian 0.8212436E+00 (-1/4)Del**2(Rho)) -0.2053109E+00 Diamond 0.2945805E+01 Metallicity 0.7709539E+01 Ellipticity 0.5621760E-02 Gb(Abramov) 0.4006826E+00 Vb(Abramov) -0.5960544E+00 Hb(Abramov) -0.1953717E+00 Ex_ueg -0.1093859E+00 Ec_ueg -0.1435233E-01 Delta_ex -0.9940647E-01 Delta_ec 0.1874045E-01 Delta_et -0.2620422E+00 Pxc 0.7621477E+01 Qxc -0.5304379E+01 3,-1 36 3 -1 1.363737 -0.982303 -1.335885 Rho 0.1354202E+00 |GRAD(Rho)| 0.6839026E-15 GRAD(Rho)x 0.5867702E-15 GRAD(Rho)y 0.3512815E-15 GRAD(Rho)z -0.4977166E-17 Laplacian 0.5295129E+00 (-1/4)Del**2(Rho)) -0.1323782E+00 Diamond 0.9395643E+00 Metallicity 0.4647387E+01 Ellipticity 0.4182583E-01 Gb(Abramov) 0.1907876E+00 Vb(Abramov) -0.2491970E+00 Hb(Abramov) -0.5840939E-01 Ex_ueg -0.5136053E-01 Ec_ueg -0.7516832E-02 Delta_ex -0.5535468E-01 Delta_ec 0.1358267E-01 Delta_et -0.1777201E+00 Pxc 0.6832736E+01 Qxc -0.4075389E+01 3,-1 37 3 -1 -1.464735 -0.648949 -1.203003 Rho 0.1412321E+00 |GRAD(Rho)| 0.1105107E-15 GRAD(Rho)x -0.1653408E-16 GRAD(Rho)y 0.8950089E-16 GRAD(Rho)z -0.6268044E-16 Laplacian 0.5541042E+00 (-1/4)Del**2(Rho)) -0.1385261E+00 Diamond 0.1043612E+01 Metallicity 0.4763329E+01 Ellipticity 0.4171195E-01 Gb(Abramov) 0.2023249E+00 Vb(Abramov) -0.2661238E+00 Hb(Abramov) -0.6379885E-01 Ex_ueg -0.5432039E-01 Ec_ueg -0.7884625E-02 Delta_ex -0.5862469E-01 Delta_ec 0.1425144E-01 Delta_et -0.1880370E+00 Pxc 0.6889407E+01 Qxc -0.4113599E+01 3,-1 38 3 -1 0.015963 0.081691 1.286793 Rho 0.1830596E+00 |GRAD(Rho)| 0.4940263E-13 GRAD(Rho)x -0.3302749E-14 GRAD(Rho)y 0.3890412E-14 GRAD(Rho)z 0.4913834E-13 Laplacian 0.5539825E+00 (-1/4)Del**2(Rho)) -0.1384956E+00 Diamond 0.1573113E+01 Metallicity 0.7341271E+01 Ellipticity 0.1177959E-01 Gb(Abramov) 0.2617861E+00 Vb(Abramov) -0.3850765E+00 Hb(Abramov) -0.1232905E+00 Ex_ueg -0.7676709E-01 Ec_ueg -0.1059243E-01 Delta_ex -0.6364120E-01 Delta_ec 0.1536208E-01 Delta_et -0.2156120E+00 Pxc 0.7247354E+01 Qxc -0.4142746E+01 3,-1 39 3 -1 -0.583890 0.056576 2.165611 Rho 0.2322469E+00 |GRAD(Rho)| 0.2077372E-12 GRAD(Rho)x 0.1827348E-12 GRAD(Rho)y -0.3736744E-13 GRAD(Rho)z -0.9146795E-13 Laplacian 0.1088865E+01 (-1/4)Del**2(Rho)) -0.2722163E+00 Diamond 0.3780613E+01 Metallicity 0.5553358E+01 Ellipticity 0.1042464E-01 Gb(Abramov) 0.4334300E+00 Vb(Abramov) -0.5946436E+00 Hb(Abramov) -0.1612137E+00 Ex_ueg -0.1054351E+00 Ec_ueg -0.1390481E-01 Delta_ex -0.1308740E+00 Delta_ec 0.2507015E-01 Delta_et -0.3501419E+00 Pxc 0.7582631E+01 Qxc -0.5220312E+01 3,-1 40 3 -1 0.242911 0.713403 2.044805 Rho 0.1821983E+00 |GRAD(Rho)| 0.1611695E-13 GRAD(Rho)x 0.6261892E-14 GRAD(Rho)y 0.1409486E-13 GRAD(Rho)z 0.4677570E-14 Laplacian 0.4665619E+00 (-1/4)Del**2(Rho)) -0.1166405E+00 Diamond 0.1397781E+01 Metallicity 0.8648574E+01 Ellipticity 0.8360340E-01 Gb(Abramov) 0.2458893E+00 Vb(Abramov) -0.3751381E+00 Hb(Abramov) -0.1292488E+00 Ex_ueg -0.7628590E-01 Ec_ueg -0.1053564E-01 Delta_ex -0.5415432E-01 Delta_ec 0.1405624E-01 Delta_et -0.2000637E+00 Pxc 0.7240748E+01 Qxc -0.3852688E+01 3,-1 41 3 -1 -1.408598 -2.062672 -1.780940 Rho 0.2442421E+00 |GRAD(Rho)| 0.1790624E-15 GRAD(Rho)x 0.1374226E-15 GRAD(Rho)y -0.2705084E-16 GRAD(Rho)z 0.1115644E-15 Laplacian 0.9075484E+00 (-1/4)Del**2(Rho)) -0.2268871E+00 Diamond 0.3245620E+01 Metallicity 0.7246212E+01 Ellipticity 0.2441578E-01 Gb(Abramov) 0.4252700E+00 Vb(Abramov) -0.6236530E+00 Hb(Abramov) -0.1983830E+00 Ex_ueg -0.1127576E+00 Ec_ueg -0.1473285E-01 Delta_ex -0.1099845E+00 Delta_ec 0.1964214E-01 Delta_et -0.2708649E+00 Pxc 0.7653481E+01 Qxc -0.5599419E+01 3,-1 42 3 -1 -0.037489 -1.642614 -1.255212 Rho 0.1486067E+00 |GRAD(Rho)| 0.1506932E-15 GRAD(Rho)x -0.1469094E-15 GRAD(Rho)y -0.2423700E-16 GRAD(Rho)z 0.2320870E-16 Laplacian 0.5817175E+00 (-1/4)Del**2(Rho)) -0.1454294E+00 Diamond 0.1167431E+01 Metallicity 0.4938918E+01 Ellipticity 0.3980790E-01 Gb(Abramov) 0.2166635E+00 Vb(Abramov) -0.2878977E+00 Hb(Abramov) -0.7123416E-01 Ex_ueg -0.5813482E-01 Ec_ueg -0.8354384E-02 Delta_ex -0.6234527E-01 Delta_ec 0.1482469E-01 Delta_et -0.1971589E+00 Pxc 0.6958600E+01 Qxc -0.4205501E+01 3,-1 43 3 -1 -1.107425 2.292197 -1.821883 Rho 0.2466913E+00 |GRAD(Rho)| 0.3008055E-15 GRAD(Rho)x 0.5177065E-16 GRAD(Rho)y 0.1753697E-15 GRAD(Rho)z -0.2388497E-15 Laplacian 0.9083572E+00 (-1/4)Del**2(Rho)) -0.2270893E+00 Diamond 0.3292013E+01 Metallicity 0.7361159E+01 Ellipticity 0.1869434E-01 Gb(Abramov) 0.4299996E+00 Vb(Abramov) -0.6329099E+00 Hb(Abramov) -0.2029103E+00 Ex_ueg -0.1142677E+00 Ec_ueg -0.1490289E-01 Delta_ex -0.1103930E+00 Delta_ec 0.1963930E-01 Delta_et -0.2710624E+00 Pxc 0.7667486E+01 Qxc -0.5621024E+01 3,-1 44 3 -1 -0.912088 2.231799 -0.341789 Rho 0.2367467E+00 |GRAD(Rho)| 0.7708301E-12 GRAD(Rho)x 0.1031440E-12 GRAD(Rho)y -0.4072413E-12 GRAD(Rho)z -0.6462931E-12 Laplacian 0.8449934E+00 (-1/4)Del**2(Rho)) -0.2112483E+00 Diamond 0.2958151E+01 Metallicity 0.7388674E+01 Ellipticity 0.1301362E-01 Gb(Abramov) 0.4009731E+00 Vb(Abramov) -0.5906978E+00 Hb(Abramov) -0.1897247E+00 Ex_ueg -0.1081676E+00 Ec_ueg -0.1421451E-01 Delta_ex -0.1018288E+00 Delta_ec 0.1891955E-01 Delta_et -0.2627108E+00 Pxc 0.7609656E+01 Qxc -0.5382199E+01 3,-1 45 3 -1 -0.253740 2.316989 1.222452 Rho 0.2907168E-01 |GRAD(Rho)| 0.1069636E-14 GRAD(Rho)x 0.3258004E-15 GRAD(Rho)y 0.1321739E-15 GRAD(Rho)z 0.1010201E-14 Laplacian 0.9664594E-01 (-1/4)Del**2(Rho)) -0.2416149E-01 Diamond 0.3379212E-01 Metallicity 0.1959806E+01 Ellipticity 0.5529812E-01 Gb(Abramov) 0.2399963E-01 Vb(Abramov) -0.2383777E-01 Hb(Abramov) 0.1618583E-03 Ex_ueg -0.6602046E-02 Ec_ueg -0.1295823E-02 Delta_ex -0.7878491E-02 Delta_ec 0.4530996E-02 Delta_et -0.4114439E-01 Pxc 0.5094866E+01 Qxc -0.1738799E+01 3,-1 46 3 -1 0.190400 1.598031 -1.369653 Rho 0.1550673E+00 |GRAD(Rho)| 0.6013156E-15 GRAD(Rho)x 0.5836802E-15 GRAD(Rho)y 0.1436839E-15 GRAD(Rho)z -0.1589711E-16 Laplacian 0.6074241E+00 (-1/4)Del**2(Rho)) -0.1518560E+00 Diamond 0.1285570E+01 Metallicity 0.5077559E+01 Ellipticity 0.3738522E-01 Gb(Abramov) 0.2297470E+00 Vb(Abramov) -0.3076380E+00 Hb(Abramov) -0.7789098E-01 Ex_ueg -0.6152885E-01 Ec_ueg -0.8768681E-02 Delta_ex -0.6581073E-01 Delta_ec 0.1536123E-01 Delta_et -0.2056017E+00 Pxc 0.7016888E+01 Qxc -0.4284210E+01 3,-1 47 3 -1 0.269456 2.086647 1.854248 Rho 0.3211457E+00 |GRAD(Rho)| 0.5734657E-15 GRAD(Rho)x -0.4883422E-15 GRAD(Rho)y 0.2745801E-15 GRAD(Rho)z -0.1224359E-15 Laplacian -0.1682502E+01 (-1/4)Del**2(Rho)) 0.4206256E+00 Diamond 0.5878690E+01 Metallicity -0.6168236E+01 Ellipticity 0.1119265E-01 Gb(Abramov) 0.1520026E+00 Vb(Abramov) -0.7246307E+00 Hb(Abramov) -0.5726282E+00 Ex_ueg -0.1624256E+00 Ec_ueg -0.2022929E-01 Delta_ex 0.1678799E+00 Delta_ec 0.5852902E-01 Delta_et -0.1392022E+01 Pxc 0.8029231E+01 Qxc 0.2868320E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 25 37 46 33 43 44 23 42 22 41 21 36 34 35 29 31 45 38 28 39 40 26 47 1 1 2 2 3 3 3 4 4 4 4 5 6 6 6 9 11 13 14 14 14 15 17 3 4 3 6 10 11 13 5 7 12 13 6 8 9 13 15 18 14 15 16 17 19 18 1.920262 1.942884 1.905525 1.948094 1.732988 1.750149 2.435079 1.922545 1.732276 1.736590 2.387910 1.935147 1.723639 1.720672 2.480072 3.130282 1.884501 1.599266 1.613063 1.491888 1.616002 0.979810 0.994238 1.920794 1.943462 1.905995 1.948735 1.733008 1.750206 2.435737 1.923042 1.732337 1.736612 2.388826 1.935756 1.723681 1.720736 2.480985 3.148351 1.907633 1.599279 1.613540 1.491904 1.616551 0.980175 0.994444 23 23 23 23 21 21 27 23 21 21 27 23 21 21 29 35 25 21 21 19 21 17 17 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 O O W W O Mo O O O O O O O P O O O H H -0.9683 -0.9473 2.3975 2.3664 -0.9463 2.2535 -0.7537 -0.6672 -0.6749 -0.7498 -0.8166 -0.7538 -1.0708 1.9478 -0.7082 -0.8476 -0.7221 0.3182 0.3431 1.9471 1.9498 2.1039 2.1097 1.9493 1.9788 1.9726 1.9831 1.9862 1.9701 1.9701 1.9678 1.8820 2.6387 1.8707 1.9075 1.8656 0.5519 0.5668 4.9852 4.9638 6.1196 6.1199 4.9634 6.0999 4.7433 4.6495 4.6531 4.7426 4.8096 4.7496 5.1522 7.6086 4.7952 4.8992 4.8134 0.1300 0.0901 0.0359 0.0337 3.3524 3.3775 0.0337 3.6678 0.0377 0.0346 0.0357 0.0371 0.0369 0.0364 0.0365 0.8049 0.0423 0.0409 0.0431 0.0000 0.0000 0.0000 0.0000 14.0266 14.0264 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 18 19 O O W W O Mo O O O O O O O P O O O H H -0.925773 -1.049456 2.425752 2.418788 -1.054386 3.093541 -0.795681 -0.948178 -0.950879 -0.787053 -0.781574 -0.796829 -1.083403 2.018373 -0.518487 -0.926212 -0.552737 0.082695 0.131501 -0.749691 -0.837089 1.924252 1.928882 -0.847267 2.318879 -0.653460 -0.706248 -0.699572 -0.651672 -0.661505 -0.669981 -0.854351 1.594462 -0.644807 -0.859482 -0.662239 0.333799 0.397090 -0.793757 -0.884447 1.994323 1.974070 -0.897556 2.316787 -0.638388 -0.683254 -0.694997 -0.646231 -0.729060 -0.669762 -0.846426 1.538239 -0.546769 -0.842432 -0.774246 0.484346 0.339560 2.97681690 -0.08003145 1.29879214 3.24880054 -4.52584098 -2.74485197 3.94879363 3.82662522 -6.18807048 0.69921576 -124.3425 128.8391 -24.2630 -125.7925 -2.3798 -147.9386 Mar18-2024 02:49:00 Nodes: 1 Procs: 1 Mar18-2024 02:49:00 Nodes: 1 Procs: 1 0 Mar18-2024 02:49:00 Nodes: 1 Procs: 1 Mar18-2024 02:49:01 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar18-2024 02:49:01 Nodes: 1 Procs: 1 Mar18-2024 02:49:02 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar18-2024 02:49:03 Nodes: 1 Procs: 1 Mar18-2024 02:49:04 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar18-2024 02:49:05 Nodes: 1 Procs: 1 Mar18-2024 02:49:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar18-2024 02:49:07 Nodes: 1 Procs: 24 *** (NO TITLE) *** -1 -5.05818037 -5.32757878 -5.20467393 -5.39286781 -5.42244369 -5.43284596 -5.43301619 -5.43421802 -5.43515817 -5.43579524 -5.43611579 -5.43644961 -5.43658401 -5.43663124 -5.43665019 -5.43665691 -5.43666075 -5.43665983 -5.43664925 -5.43664409 GEOMETRY CONVERGED