ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar08-2024 08:40:05 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.03 0.40 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 Mar08-2024 08:40:05 Nodes: 1 Procs: 1 Mar08-2024 08:40:06 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar08-2024 08:40:06 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.02 0.81 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 Mar08-2024 08:40:05 Nodes: 1 Procs: 1 Mar08-2024 08:40:06 Nodes: 1 Procs: 1 0 Mar08-2024 08:40:06 Nodes: 1 Procs: 1 Mar08-2024 08:40:07 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar08-2024 08:40:07 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.44 0.03 0.51 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 Mar08-2024 08:40:05 Nodes: 1 Procs: 1 Mar08-2024 08:40:06 Nodes: 1 Procs: 1 0 Mar08-2024 08:40:06 Nodes: 1 Procs: 1 Mar08-2024 08:40:07 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar08-2024 08:40:07 Nodes: 1 Procs: 1 Mar08-2024 08:40:08 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar08-2024 08:40:08 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) 1.34 0.02 1.41 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 Mar08-2024 08:40:05 Nodes: 1 Procs: 1 Mar08-2024 08:40:06 Nodes: 1 Procs: 1 0 Mar08-2024 08:40:06 Nodes: 1 Procs: 1 Mar08-2024 08:40:07 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar08-2024 08:40:07 Nodes: 1 Procs: 1 Mar08-2024 08:40:08 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar08-2024 08:40:08 Nodes: 1 Procs: 1 Mar08-2024 08:40:09 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar08-2024 08:40:11 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 639.6134000000002 AuxInfo=1/0/N:2;4;5;6;7;8;9;10;11;12;13;14;1;3;15/rA:15nWMoWO1O1OO1O1O1O3O1OO1O1H0/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;;/rC:3.8311,3.4873,7.1823;7.168,4.0009,9.4957;4.7426,1.7287,9.7857;3.8175,2.7281,5.5963;8.325,3.2125,8.4194;6.28,2.5045,10.62;3.5774,1.7601,11.1104;8.0759,4.5037,10.9366;2.3003,4.3234,7.4165;5.2904,3.3343,8.6363;6.7094,5.5734,8.7416;3.4542,1.9027,8.2796;4.9776,5.0119,6.7458;5.273,.0738,9.4836;6.618,4.9395,7.1661;/R:/0/N:2,5,8,11,4,9,13,7,14,6,12,10,1,3;15/E:(2,3,4)(5,6,7)(8,9);/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,12.3; 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.W ADF 2019 Mar08-2024 08:40:09 1 1 Tungsten TZP 4d t21.Mo ADF 2019 Mar08-2024 08:40:07 1 1 Molybdenum TZP 3d t21.O ADF 2019 Mar08-2024 08:40:08 1 1 Oxygen TZP 1s t21.H ADF 2019 Mar08-2024 08:40:06 1 1 Hydrogen TZP 1 1 -4.73748432 0.12139519 0.00100000 F 0.02912016 0.00066667 F 0.12139519 0.02912016 0.13024110 0.01000000 F 0.02922162 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/0/N:2;4;5;6;7;8;9;10;11;12;13;14;1;3;15/rA:15nWMoWO1O1OO1O1O1O3O1OO1O1H0/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;;/rC:3.865,3.4957,7.1717;7.1746,3.9857,9.4927;4.7383,1.7286,9.789;3.8377,2.675,5.6035;8.3107,3.2059,8.3962;6.2868,2.4895,10.6216;3.5767,1.7626,11.1221;8.0883,4.4803,10.9255;2.3325,4.3517,7.3803;5.2923,3.3269,8.6528;6.7407,5.588,8.7436;3.4619,1.9173,8.2844;4.9836,5.0011,6.7158;5.2635,.0671,9.4923;6.4878,5.0095,7.2243;/R:/0/N:2,5,8,11,4,9,13,7,14,6,12,10,1,3;15/E:(2,3,4)(5,6,7)(8,9);/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,12.3; 2 2 -4.76182942 0.11995837 0.00100000 F 0.02690802 0.00066667 F 0.11995837 0.02690802 0.30159363 0.01000000 F 0.06750377 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9668,3.5483,7.1695;7.1636,3.9571,9.4641;4.7319,1.7207,9.8004;3.9404,2.6395,5.6248;8.2704,3.1881,8.3524;6.3039,2.4627,10.6297;3.5784,1.7545,11.1505;8.0833,4.4793,10.8638;2.4358,4.4441,7.3237;5.2895,3.2946,8.6837;6.6663,5.5441,8.6247;3.4945,1.9496,8.2896;5.0789,4.9979,6.7993;5.2508,.0472,9.5183;6.1862,5.0569,7.3212;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 3 3 -4.81434658 0.09888281 0.00100000 F 0.02612738 0.00066667 F 0.09888281 0.02612738 0.30104957 0.01000000 F 0.05851527 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:4.0411,3.5713,7.1658;7.166,3.9276,9.4308;4.7197,1.7186,9.81;4.0296,2.6041,5.6574;8.2578,3.1755,8.2935;6.3193,2.4413,10.6268;3.5812,1.757,11.1729;8.0865,4.4579,10.8281;2.5165,4.4823,7.2605;5.2858,3.2867,8.7154;6.6472,5.515,8.5999;3.4925,1.9707,8.3034;5.181,4.9984,6.8254;5.231,.0399,9.5444;5.8851,5.1386,7.3817;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 4 4 -4.81448765 0.17740656 0.00100000 F 0.05390063 0.00066667 F 0.17740656 0.05390063 0.06017946 0.01000000 F 0.02071357 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:4.0118,3.5554,7.1557;7.1781,3.9318,9.4441;4.7193,1.723,9.803;3.9961,2.5906,5.6594;8.2784,3.1732,8.3097;6.3151,2.4425,10.6208;3.5832,1.7659,11.1637;8.0956,4.4529,10.8553;2.4859,4.4486,7.2618;5.2906,3.3003,8.705;6.7073,5.5254,8.6382;3.4824,1.9643,8.3021;5.1382,5,6.7745;5.2324,.0482,9.5343;5.9259,5.1626,7.3883;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 5 5 -4.83402809 0.06234750 0.00100000 F 0.01945829 0.00066667 F 0.06234750 0.01945829 0.04502752 0.01000000 F 0.01525655 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9998,3.5446,7.15;7.1899,3.9299,9.4486;4.7172,1.7267,9.8008;3.9971,2.5867,5.66;8.2963,3.1605,8.319;6.3145,2.4403,10.615;3.5886,1.7721,11.1654;8.108,4.4437,10.8689;2.471,4.4227,7.2509;5.2904,3.3168,8.7053;6.7524,5.5255,8.6656;3.4699,1.9633,8.3081;5.133,4.998,6.7385;5.2288,.0536,9.5287;5.8836,5.2003,7.391;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 6 6 -4.83850706 0.04831668 0.00100000 F 0.01416181 0.00066667 F 0.04831668 0.01416181 0.05690033 0.01000000 F 0.02494775 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9642,3.5218,7.1495;7.211,3.9349,9.4591;4.7198,1.7346,9.798;4.0093,2.621,5.6362;8.332,3.1165,8.3688;6.3101,2.4464,10.6057;3.6033,1.7786,11.171;8.1342,4.4419,10.8856;2.4229,4.3708,7.2475;5.2841,3.3558,8.6993;6.8093,5.5178,8.6829;3.4504,1.959,8.319;5.1244,4.9858,6.6943;5.2246,.0626,9.5094;5.8409,5.2374,7.3897;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 7 7 -4.84302011 0.02315367 0.00100000 F 0.00711379 0.00066667 F 0.02315367 0.00711379 0.02562595 0.01000000 F 0.01064856 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9497,3.5101,7.1521;7.2235,3.9366,9.4621;4.7229,1.7399,9.797;4.0182,2.6372,5.6265;8.347,3.0917,8.3942;6.309,2.4507,10.6018;3.6075,1.782,11.1685;8.1457,4.4452,10.8896;2.4057,4.3514,7.2463;5.2829,3.3739,8.6945;6.8284,5.512,8.6794;3.4476,1.9591,8.3183;5.1166,4.9824,6.6896;5.2204,.0688,9.5011;5.8153,5.2439,7.3949;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 8 8 -4.84391874 0.01398690 0.00100000 F 0.00524519 0.00066667 F 0.01398690 0.00524519 0.03997092 0.01000000 F 0.01365929 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.937,3.4952,7.1576;7.2428,3.9349,9.4645;4.7284,1.7498,9.7963;4.0272,2.6473,5.6166;8.3661,3.0644,8.4193;6.3096,2.4561,10.6001;3.6025,1.7893,11.1572;8.1567,4.4552,10.8912;2.3914,4.3378,7.2428;5.2851,3.392,8.6872;6.8489,5.4993,8.6586;3.4546,1.963,8.3056;5.0996,4.9874,6.7075;5.2151,.078,9.4943;5.7753,5.2352,7.4171;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 9 9 -4.84462489 0.00523630 0.00100000 F 0.00198282 0.00066667 F 0.00523630 0.00198282 0.00787780 0.01000000 T 0.00348902 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9347,3.4942,7.1579;7.2459,3.9337,9.466;4.73,1.7522,9.7952;4.0245,2.6472,5.6154;8.3713,3.0632,8.4238;6.3095,2.4571,10.6014;3.5995,1.7932,11.1523;8.1558,4.4574,10.893;2.3886,4.3376,7.2437;5.2872,3.3919,8.6844;6.8556,5.4951,8.6512;3.4579,1.9631,8.3008;5.0917,4.9908,6.7134;5.2168,.0803,9.4939;5.7714,5.2277,7.4236;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 10 10 -4.84471553 0.00437366 0.00100000 F 0.00157740 0.00066667 F 0.00437366 0.00157740 0.01784073 0.01000000 F 0.00756253 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9282,3.495,7.1568;7.2511,3.9309,9.4699;4.734,1.7568,9.7909;4.0136,2.6489,5.6125;8.3844,3.0606,8.4365;6.3095,2.4592,10.6044;3.5956,1.8027,11.142;8.1505,4.4623,10.8998;2.3802,4.3363,7.2471;5.2933,3.3885,8.6774;6.8734,5.4872,8.638;3.4625,1.9612,8.293;5.0745,4.9982,6.7214;5.2227,.0845,9.4934;5.7667,5.2126,7.4329;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 11 11 -4.84483426 0.00237458 0.00100000 F 0.00096001 0.00066667 F 0.00237458 0.00096001 0.01256079 0.01000000 F 0.00457949 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.923,3.4964,7.1555;7.2542,3.9291,9.4719;4.7371,1.7586,9.7875;4.0048,2.6541,5.6094;8.3943,3.0547,8.449;6.3106,2.4602,10.6051;3.5974,1.8072,11.1378;8.1448,4.4673,10.9051;2.3741,4.3347,7.2495;5.298,3.3858,8.6726;6.8828,5.4834,8.6332;3.4626,1.9596,8.2916;5.068,5.0011,6.7219;5.2261,.0857,9.4928;5.7627,5.207,7.4329;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 12 12 -4.84488048 0.00181042 0.00100000 F 0.00064646 0.00066667 T 0.00181042 0.00064646 0.01337627 0.01000000 F 0.00459309 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9184,3.4981,7.1544;7.2566,3.9274,9.4741;4.74,1.7594,9.7844;3.9939,2.6599,5.6064;8.4046,3.05,8.4624;6.3121,2.4608,10.6057;3.6002,1.8102,11.1347;8.137,4.4737,10.9105;2.37,4.3358,7.2537;5.3035,3.3814,8.6673;6.8879,5.4791,8.6285;3.4626,1.9591,8.2912;5.0636,5.003,6.7211;5.2291,.086,9.4916;5.761,5.201,7.43;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 13 13 -4.84490493 0.00199822 0.00100000 F 0.00060165 0.00066667 T 0.00199822 0.00060165 0.00736473 0.01000000 T 0.00264805 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9165,3.4988,7.1542;7.2575,3.9269,9.4756;4.7413,1.7592,9.7831;3.9869,2.6628,5.605;8.4104,3.049,8.4698;6.3128,2.4608,10.6057;3.6017,1.8106,11.1335;8.132,4.4781,10.9137;2.3692,4.3379,7.2575;5.307,3.3783,8.6639;6.8885,5.4765,8.6259;3.4623,1.9597,8.2912;5.0624,5.0031,6.7198;5.23,.0857,9.4903;5.7619,5.1976,7.4268;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 14 14 -4.84491328 0.00237140 0.00100000 F 0.00064914 0.00066667 T 0.00237140 0.00064914 0.02006869 0.01000000 F 0.00724797 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9131,3.5,7.1547;7.2588,3.9266,9.4799;4.7436,1.7569,9.7804;3.9668,2.6677,5.603;8.425,3.0514,8.487;6.3142,2.4601,10.6049;3.605,1.8085,11.1317;8.1183,4.4902,10.9223;2.3713,4.3471,7.2709;5.3168,3.3689,8.6545;6.886,5.4701,8.6203;3.4609,1.9628,8.2922;5.0619,5.0008,6.7139;5.2307,.0837,9.4856;5.768,5.1901,7.4146;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 15 15 -4.84493108 0.00280741 0.00100000 F 0.00077079 0.00066667 F 0.00280741 0.00077079 0.01140462 0.01000000 F 0.00409835 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9119,3.5004,7.1554;7.2594,3.9271,9.4824;4.7442,1.7554,9.7791;3.9554,2.6689,5.603;8.4329,3.0544,8.4958;6.3142,2.4594,10.6043;3.6061,1.806,11.1308;8.1108,4.4965,10.9274;2.3734,4.3524,7.2796;5.3222,3.3639,8.6492;6.8858,5.4673,8.6177;3.4595,1.9646,8.293;5.0624,4.9986,6.7092;5.2307,.0825,9.4825;5.7716,5.1875,7.4067;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 16 16 -4.84494563 0.00287167 0.00100000 F 0.00084386 0.00066667 F 0.00287167 0.00084386 0.01416052 0.01000000 F 0.00511888 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9109,3.5006,7.1568;7.2601,3.9284,9.4854;4.7445,1.7536,9.7773;3.9413,2.6694,5.6038;8.4423,3.0585,8.5066;6.313,2.4584,10.6036;3.6064,1.8018,11.1292;8.1017,4.5032,10.9342;2.3766,4.3588,7.2913;5.3285,3.3583,8.6425;6.8892,5.4651,8.6143;3.4573,1.9659,8.294;5.0629,4.9954,6.7023;5.2309,.0812,9.4784;5.7748,5.1864,7.3961;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 17 17 -4.84496454 0.00287377 0.00100000 F 0.00086794 0.00066667 F 0.00287377 0.00086794 0.01177023 0.01000000 F 0.00445108 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9095,3.5008,7.1583;7.2612,3.9298,9.4874;4.7451,1.7525,9.7753;3.9295,2.6712,5.6041;8.4504,3.0594,8.5175;6.3114,2.4581,10.6036;3.6066,1.798,11.1273;8.0933,4.5091,10.9398;2.3784,4.3636,7.3017;5.3331,3.3541,8.6368;6.8949,5.4635,8.6096;3.4558,1.9659,8.2947;5.0626,4.9931,6.697;5.2323,.0807,9.4751;5.7763,5.1851,7.3877;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 18 18 -4.84497858 0.00261193 0.00100000 F 0.00080664 0.00066667 F 0.00261193 0.00080664 0.00301452 0.01000000 T 0.00119560 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9094,3.501,7.159;7.2613,3.9308,9.4872;4.7452,1.7521,9.7749;3.9272,2.672,5.6043;8.4514,3.0584,8.5203;6.3102,2.4586,10.6041;3.6063,1.796,11.1267;8.091,4.5105,10.9406;2.3791,4.3648,7.3047;5.333,3.3534,8.6358;6.8976,5.4637,8.6073;3.4557,1.9649,8.2946;5.0629,4.9925,6.6959;5.2336,.0806,9.4746;5.7766,5.1852,7.3859;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 19 19 -4.84498585 0.00238600 0.00100000 F 0.00070565 0.00066667 F 0.00238600 0.00070565 0.00354379 0.01000000 T 0.00130420 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9091,3.5014,7.1594;7.2615,3.9315,9.4864;4.7456,1.752,9.7745;3.9256,2.6741,5.6038;8.4518,3.0555,8.5233;6.3089,2.4599,10.6051;3.606,1.7946,11.1259;8.0889,4.5122,10.9403;2.3792,4.3656,7.3071;5.3319,3.353,8.6353;6.9,5.4635,8.6037;3.4563,1.9634,8.2939;5.0629,4.9928,6.6965;5.2358,.0808,9.4746;5.7769,5.1844,7.3862;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 20 20 -4.84499213 0.00212813 0.00100000 F 0.00063518 0.00066667 T 0.00212813 0.00063518 0.00777337 0.01000000 T 0.00292795 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.908,3.502,7.1597;7.2622,3.9322,9.4868;4.7463,1.7512,9.7734;3.9179,2.6774,5.6027;8.4564,3.0536,8.531;6.3075,2.4613,10.6058;3.6058,1.7926,11.1241;8.083,4.5175,10.9422;2.3802,4.3686,7.3141;5.3337,3.3501,8.6322;6.9024,5.4611,8.5983;3.4567,1.9623,8.2929;5.063,4.9923,6.6954;5.2384,.0806,9.4735;5.7788,5.182,7.3838;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 21 21 -4.84499763 0.00199142 0.00100000 F 0.00063447 0.00066667 T 0.00199142 0.00063447 0.01281108 0.01000000 F 0.00472632 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9068,3.503,7.1598;7.2627,3.933,9.4871;4.7473,1.7496,9.772;3.9051,2.6833,5.6002;8.4631,3.0509,8.5423;6.3051,2.4644,10.6072;3.6048,1.7894,11.1212;8.0741,4.5265,10.9442;2.3826,4.3736,7.3259;5.3365,3.3448,8.6275;6.9051,5.4566,8.5891;3.458,1.9601,8.2904;5.0641,4.9912,6.6944;5.2429,.08,9.4729;5.7824,5.1784,7.3818;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 22 22 -4.84501051 0.00207816 0.00100000 F 0.00066642 0.00066667 T 0.00207816 0.00066642 0.01902936 0.01000000 F 0.00652199 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9057,3.5042,7.1599;7.2624,3.9337,9.4882;4.748,1.7467,9.7703;3.886,2.6909,5.5969;8.4726,3.0505,8.5568;6.302,2.4675,10.6086;3.6032,1.7851,11.1176;8.0622,4.5389,10.9472;2.3874,4.3813,7.3429;5.3423,3.3364,8.6203;6.9072,5.4504,8.5781;3.4594,1.9576,8.2875;5.0676,4.9875,6.6908;5.2476,.0783,9.4724;5.7869,5.1758,7.3784;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 23 23 -4.84503419 0.00240622 0.00100000 F 0.00068117 0.00066667 F 0.00240622 0.00068117 0.03683797 0.01000000 F 0.01270888 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9041,3.5066,7.1603;7.2606,3.9349,9.491;4.7496,1.7413,9.7668;3.8492,2.7057,5.5916;8.49,3.0522,8.5844;6.297,2.4718,10.6106;3.601,1.7772,11.1111;8.038,4.5624,10.9529;2.3982,4.397,7.3765;5.3552,3.319,8.6058;6.9101,5.439,8.558;3.4618,1.9536,8.2827;5.0756,4.9781,6.6821;5.2549,.0745,9.4715;5.7952,5.1715,7.3706;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 24 24 -4.84506497 0.00248073 0.00100000 F 0.00078709 0.00066667 F 0.00248073 0.00078709 0.00598672 0.01000000 T 0.00236504 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9052,3.507,7.1604;7.2576,3.9351,9.4916;4.75,1.7401,9.7661;3.8438,2.7079,5.5911;8.4898,3.0546,8.5864;6.2972,2.4708,10.6105;3.6015,1.7771,11.1105;8.034,4.5653,10.953;2.4019,4.4007,7.3825;5.3588,3.3149,8.6031;6.9073,5.4386,8.556;3.4627,1.9533,8.2825;5.08,4.9735,6.6794;5.2545,.0728,9.4724;5.7963,5.1731,7.3706;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 25 25 -4.84508045 0.00228131 0.00100000 F 0.00062378 0.00066667 T 0.00228131 0.00062378 0.01193611 0.01000000 F 0.00472140 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9061,3.5075,7.1611;7.2534,3.9354,9.493;4.7521,1.7388,9.7637;3.8318,2.7115,5.5907;8.4918,3.0579,8.5938;6.2987,2.4676,10.6098;3.6039,1.7786,11.1086;8.0234,4.5714,10.9554;2.408,4.4077,7.394;5.3671,3.3072,8.596;6.904,5.4377,8.5525;3.4637,1.9538,8.2827;5.0858,4.9657,6.6738;5.2533,.0702,9.4721;5.7972,5.1737,7.3687;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 26 26 -4.84509505 0.00227511 0.00100000 F 0.00052864 0.00066667 T 0.00227511 0.00052864 0.01052885 0.01000000 F 0.00384817 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9062,3.5079,7.1619;7.2514,3.9364,9.4934;4.7536,1.7375,9.7618;3.8213,2.7144,5.5908;8.4953,3.0596,8.6012;6.2991,2.4663,10.6092;3.6057,1.7785,11.1071;8.0136,4.5771,10.9578;2.4128,4.4135,7.4037;5.3721,3.3015,8.5905;6.9025,5.4367,8.5489;3.4638,1.9537,8.283;5.0893,4.9615,6.6702;5.2535,.0683,9.4709;5.8001,5.1718,7.3655;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 27 27 -4.84509982 0.00204103 0.00100000 F 0.00052390 0.00066667 T 0.00204103 0.00052390 0.00844326 0.01000000 T 0.00297841 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9067,3.5078,7.1629;7.2497,3.9378,9.4929;4.7551,1.7366,9.7604;3.8142,2.7149,5.592;8.4979,3.0627,8.605;6.3005,2.4639,10.6076;3.6083,1.78,11.1066;8.0052,4.5795,10.9603;2.4171,4.4182,7.4096;5.3754,3.2974,8.5862;6.8996,5.438,8.5491;3.4629,1.9546,8.2842;5.0925,4.9585,6.6673;5.2521,.0664,9.4694;5.8033,5.1685,7.3627;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 28 28 -4.84510955 0.00189046 0.00100000 F 0.00048872 0.00066667 T 0.00189046 0.00048872 0.01425294 0.01000000 F 0.00533810 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.907,3.508,7.164;7.2474,3.9396,9.4926;4.7569,1.7344,9.7584;3.7999,2.7182,5.5926;8.5044,3.0685,8.6131;6.3016,2.4612,10.6056;3.6109,1.7805,11.1052;7.9912,4.5859,10.964;2.4243,4.4265,7.422;5.3816,3.2891,8.5787;6.8961,5.4378,8.5465;3.4619,1.9552,8.285;5.0981,4.9529,6.6621;5.2509,.0633,9.468;5.8083,5.1636,7.3581;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 29 29 -4.84511498 0.00218899 0.00100000 F 0.00058140 0.00066667 T 0.00218899 0.00058140 0.01371166 0.01000000 F 0.00553139 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9072,3.5081,7.165;7.245,3.9412,9.4925;4.7581,1.732,9.7568;3.7862,2.7216,5.5929;8.5119,3.0776,8.6195;6.3037,2.4574,10.6028;3.6133,1.7817,11.1046;7.9776,4.5917,10.9679;2.432,4.4354,7.4337;5.3886,3.2796,8.5711;6.8913,5.4378,8.5456;3.4602,1.9564,8.286;5.1047,4.9461,6.6561;5.2479,.0596,9.4675;5.8127,5.1585,7.354;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 30 30 -4.84512634 0.00218494 0.00100000 F 0.00068191 0.00066667 F 0.00218494 0.00068191 0.01823721 0.01000000 F 0.00794733 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.908,3.5083,7.166;7.2416,3.9434,9.492;4.7593,1.728,9.7555;3.768,2.7267,5.5933;8.5226,3.0939,8.6255;6.3073,2.451,10.598;3.6164,1.7836,11.1047;7.9594,4.5992,10.9725;2.4437,4.4486,7.4485;5.3983,3.2649,8.5613;6.882,5.4386,8.5457;3.4574,1.9585,8.2876;5.1157,4.9353,6.6475;5.2421,.0534,9.4682;5.8186,5.1513,7.3497;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 31 31 -4.84513996 0.00207907 0.00100000 F 0.00085715 0.00066667 F 0.00207907 0.00085715 0.00498324 0.01000000 T 0.00170995 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9073,3.5078,7.1655;7.2424,3.9434,9.4928;4.7592,1.7281,9.7555;3.7661,2.7255,5.5932;8.5258,3.0988,8.6249;6.3092,2.4484,10.5963;3.6174,1.7858,11.1055;7.9586,4.5973,10.9751;2.444,4.4495,7.4479;5.4004,3.264,8.5595;6.8809,5.4401,8.5496;3.4561,1.96,8.2886;5.1164,4.9329,6.6447;5.2394,.0528,9.4682;5.8172,5.1504,7.3486;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 32 32 -4.84515275 0.00198178 0.00100000 F 0.00071782 0.00066667 F 0.00198178 0.00071782 0.01627913 0.01000000 F 0.00549517 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9083,3.5069,7.1634;7.2413,3.9445,9.493;4.7586,1.7265,9.7565;3.7613,2.7235,5.5924;8.5292,3.1151,8.6174;6.3146,2.4407,10.5911;3.6201,1.7922,11.1091;7.9561,4.5921,10.9786;2.4498,4.4557,7.4477;5.4046,3.2587,8.5557;6.8698,5.4464,8.5611;3.4544,1.9626,8.2907;5.1249,4.9232,6.6381;5.231,.0486,9.4717;5.8163,5.1483,7.3495;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 33 33 -4.84517247 0.00184996 0.00100000 F 0.00049621 0.00066667 T 0.00184996 0.00049621 0.00394923 0.01000000 T 0.00156201 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.909,3.5067,7.1617;7.2412,3.9449,9.4934;4.7583,1.7262,9.7569;3.7596,2.7228,5.5911;8.5282,3.1179,8.6146;6.3152,2.4399,10.5904;3.6203,1.7944,11.1098;7.9578,4.5893,10.9795;2.4517,4.4568,7.448;5.4048,3.2587,8.5547;6.8664,5.4487,8.565;3.4557,1.962,8.2902;5.1271,4.9204,6.6365;5.2299,.0478,9.4738;5.8152,5.1483,7.3505;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 34 34 -4.84517913 0.00130413 0.00100000 F 0.00036363 0.00066667 T 0.00130413 0.00036363 0.00681483 0.01000000 T 0.00230605 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.91,3.5068,7.1604;7.2403,3.9459,9.494;4.7585,1.7251,9.7565;3.7528,2.7248,5.5895;8.5286,3.1208,8.6153;6.315,2.4398,10.5897;3.6204,1.7958,11.1092;7.9555,4.5898,10.9807;2.4564,4.4603,7.4538;5.4067,3.2558,8.5514;6.8626,5.45,8.5665;3.4575,1.9605,8.2889;5.1307,4.9164,6.6338;5.2296,.0461,9.4761;5.8158,5.1468,7.3501;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 35 35 -4.84518693 0.00086868 0.00100000 T 0.00035512 0.00066667 T 0.00086868 0.00035512 0.01216370 0.01000000 F 0.00417653 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9115,3.507,7.1598;7.2384,3.9475,9.4945;4.7592,1.7232,9.7553;3.7406,2.7298,5.5878;8.5304,3.1246,8.6194;6.3142,2.4405,10.589;3.6203,1.7968,11.1072;7.9491,4.594,10.9823;2.4643,4.4663,7.4658;5.4106,3.2492,8.5455;6.8576,5.4502,8.5659;3.4598,1.9579,8.2868;5.1361,4.9111,6.6297;5.2299,.0434,9.4789;5.8184,5.1433,7.348;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 36 36 -4.84519577 0.00114831 0.00100000 F 0.00038155 0.00066667 T 0.00114831 0.00038155 0.01133397 0.01000000 F 0.00366944 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.913,3.5069,7.1595;7.2368,3.9488,9.4953;4.7597,1.7218,9.7538;3.7302,2.7347,5.5862;8.5314,3.1273,8.6225;6.313,2.442,10.5887;3.6195,1.7983,11.1045;7.9447,4.5976,10.9834;2.4713,4.4706,7.4772;5.414,3.2433,8.5403;6.8532,5.4504,8.5662;3.4621,1.9548,8.2843;5.1405,4.907,6.6261;5.2305,.0412,9.482;5.8206,5.1401,7.346;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 37 37 -4.84520259 0.00116561 0.00100000 F 0.00043084 0.00066667 T 0.00116561 0.00043084 0.01253679 0.01000000 F 0.00404287 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9147,3.5067,7.1592;7.235,3.9502,9.4961;4.7603,1.7202,9.7522;3.7189,2.7402,5.5846;8.5321,3.1303,8.6256;6.3115,2.4439,10.5883;3.6185,1.7999,11.1014;7.9402,4.6015,10.9845;2.4792,4.4753,7.4897;5.4177,3.2368,8.5346;6.8481,5.4506,8.5666;3.4648,1.9513,8.2813;5.1453,4.9025,6.6222;5.2312,.0388,9.4857;5.823,5.1366,7.3438;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 38 38 -4.84520621 0.00148665 0.00100000 F 0.00055784 0.00066667 T 0.00148665 0.00055784 0.00509246 0.01000000 T 0.00158790 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9146,3.5059,7.1588;7.236,3.9497,9.4971;4.7599,1.7214,9.7519;3.7207,2.7397,5.5837;8.5303,3.1287,8.6235;6.3104,2.4458,10.5891;3.6169,1.8016,11.1001;7.9453,4.5987,10.9847;2.4776,4.4723,7.4892;5.4168,3.2392,8.5351;6.849,5.4512,8.5697;3.4659,1.9495,8.2797;5.1436,4.9037,6.6222;5.2322,.0401,9.4872;5.8212,5.1373,7.3438;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 39 39 -4.84521191 0.00109599 0.00100000 F 0.00045895 0.00066667 T 0.00109599 0.00045895 0.02615192 0.01000000 F 0.00979929 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.918,3.5013,7.1573;7.2352,3.9505,9.5032;4.7584,1.7217,9.7477;3.7023,2.7514,5.5771;8.5257,3.1375,8.616;6.3038,2.4564,10.591;3.6069,1.8144,11.0876;7.9578,4.5949,10.9869;2.4917,4.4732,7.5153;5.4233,3.2292,8.5243;6.8349,5.4552,8.5876;3.4743,1.9339,8.2657;5.1519,4.8947,6.6121;5.2355,.0388,9.5044;5.8207,5.132,7.3397;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 40 40 -4.84524176 0.00086307 0.00100000 T 0.00030013 0.00066667 T 0.00086307 0.00030013 0.02033009 0.01000000 F 0.00677621 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9198,3.4974,7.1554;7.2368,3.9499,9.5069;4.7562,1.7242,9.7465;3.7023,2.7544,5.5722;8.517,3.1398,8.6021;6.2989,2.4648,10.5943;3.5986,1.8243,11.0802;7.9781,4.5849,10.9856;2.4942,4.4673,7.5208;5.4223,3.2295,8.5235;6.8272,5.4596,8.6043;3.4803,1.9231,8.2558;5.1536,4.893,6.6101;5.2383,.0409,9.5166;5.8168,5.1317,7.3416;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 41 41 -4.84524218 0.00144554 0.00100000 F 0.00044216 0.00066667 T 0.00144554 0.00044216 0.00481368 0.01000000 T 0.00146391 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9194,3.4964,7.155;7.238,3.9498,9.5079;4.7558,1.725,9.7462;3.702,2.7548,5.5711;8.5161,3.1401,8.5997;6.2976,2.4669,10.5958;3.5967,1.8266,11.0784;7.9829,4.5823,10.9859;2.4937,4.4659,7.5211;5.4224,3.2296,8.5231;6.8265,5.4602,8.6075;3.4811,1.9209,8.2537;5.153,4.8927,6.6101;5.2396,.042,9.5185;5.8155,5.1317,7.3419;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 42 42 -4.84524488 0.00113729 0.00100000 F 0.00043275 0.00066667 T 0.00113729 0.00043275 0.01162250 0.01000000 F 0.00347999 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9185,3.4947,7.1538;7.241,3.9499,9.5088;4.7554,1.7273,9.7465;3.7062,2.753,5.5694;8.5124,3.1393,8.5923;6.2954,2.4703,10.5998;3.5936,1.8307,11.0762;7.9946,4.5751,10.9852;2.49,4.4619,7.5155;5.4215,3.231,8.5246;6.8249,5.4622,8.6144;3.4821,1.9187,8.2512;5.1511,4.8933,6.6129;5.2415,.0446,9.5205;5.8123,5.1327,7.3449;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 43 43 -4.84525022 0.00109807 0.00100000 F 0.00036495 0.00066667 T 0.00109807 0.00036495 0.00597266 0.01000000 T 0.00183242 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9187,3.4939,7.1532;7.2417,3.95,9.5089;4.7554,1.7283,9.7469;3.7094,2.7521,5.5684;8.5091,3.1384,8.5879;6.2942,2.4721,10.6019;3.5921,1.8323,11.0754;8.0005,4.5722,10.9838;2.4886,4.4596,7.5126;5.4212,3.231,8.5254;6.8233,5.4634,8.6178;3.4827,1.9184,8.2506;5.1506,4.8938,6.6148;5.2418,.0456,9.5214;5.811,5.1336,7.3471;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 44 44 -4.84524959 0.00111905 0.00100000 F 0.00034947 0.00066667 T 0.00111905 0.00034947 0.00855844 0.01000000 T 0.00258614 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9194,3.4925,7.1521;7.2425,3.9503,9.5093;4.7553,1.7296,9.7473;3.7123,2.7516,5.5666;8.5046,3.1382,8.5816;6.2922,2.4752,10.6046;3.5896,1.835,11.0737;8.0091,4.5681,10.982;2.488,4.4569,7.5104;5.4216,3.2297,8.5252;6.8199,5.4653,8.6238;3.4839,1.9172,8.2493;5.1505,4.894,6.6166;5.2423,.0466,9.5239;5.8093,5.1344,7.3497;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 45 45 -4.84524844 0.00146086 0.00100000 F 0.00038730 0.00066667 T 0.00146086 0.00038730 0.00754606 0.01000000 T 0.00237116 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9198,3.4912,7.151;7.2434,3.9504,9.5094;4.7554,1.7309,9.7479;3.715,2.7514,5.5647;8.5011,3.1377,8.5764;6.2896,2.479,10.6076;3.587,1.8366,11.0721;8.0166,4.5653,10.9799;2.4873,4.4543,7.5083;5.4233,3.2265,8.5236;6.817,5.4665,8.6287;3.4842,1.9173,8.2488;5.1497,4.8952,6.6192;5.2428,.0478,9.5258;5.8081,5.1348,7.3526;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 46 46 -4.84524673 0.00193203 0.00100000 F 0.00047250 0.00066667 T 0.00193203 0.00047250 0.00832059 0.01000000 T 0.00327848 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9212,3.4896,7.1497;7.2437,3.9503,9.5092;4.7552,1.7318,9.7487;3.7167,2.7523,5.5621;8.4974,3.1387,8.5699;6.2856,2.485,10.6108;3.5836,1.838,11.0703;8.0246,4.5626,10.9769;2.4886,4.4525,7.508;5.4279,3.2182,8.518;6.8113,5.4683,8.6354;3.4837,1.9176,8.2488;5.15,4.8965,6.6221;5.2434,.0486,9.5297;5.8074,5.1347,7.3564;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 47 47 -4.84524653 0.00249167 0.00100000 F 0.00060013 0.00066667 T 0.00249167 0.00060013 0.00976815 0.01000000 T 0.00327387 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9223,3.488,7.1484;7.2444,3.95,9.5091;4.7547,1.7333,9.7495;3.7213,2.7514,5.5601;8.4926,3.1387,8.5623;6.2823,2.4903,10.6135;3.5807,1.8398,11.0692;8.0344,4.5578,10.9741;2.488,4.4492,7.5048;5.4302,3.2138,8.5149;6.8072,5.4704,8.6429;3.4836,1.9176,8.2486;5.1493,4.8985,6.6251;5.244,.0501,9.5333;5.8056,5.1359,7.3601;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 48 48 -4.84524560 0.00278642 0.00100000 F 0.00070793 0.00066667 F 0.00278642 0.00070793 0.01358610 0.01000000 F 0.00460716 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9239,3.4859,7.1466;7.2454,3.9494,9.509;4.754,1.7353,9.7508;3.7278,2.7504,5.5572;8.4858,3.1385,8.5518;6.2774,2.4978,10.6176;3.5765,1.8421,11.0675;8.048,4.5515,10.9696;2.4871,4.4447,7.5002;5.4335,3.2072,8.5103;6.8014,5.4731,8.6531;3.4832,1.9176,8.2484;5.1483,4.9016,6.6297;5.2449,.0522,9.5382;5.8031,5.1375,7.3657;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 49 49 -4.84523298 0.00324563 0.00100000 F 0.00091108 0.00066667 F 0.00324563 0.00091108 0.01052145 0.01000000 F 0.00395936 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9233,3.4852,7.1459;7.2479,3.9479,9.5085;4.7531,1.7377,9.7522;3.7383,2.746,5.557;8.4832,3.1348,8.5465;6.2757,2.5015,10.6194;3.5754,1.8418,11.0689;8.0567,4.5451,10.9677;2.4805,4.4387,7.4898;5.4327,3.2091,8.5104;6.8041,5.4738,8.6568;3.4813,1.9196,8.2503;5.1428,4.9075,6.6346;5.246,.0554,9.5383;5.7993,5.1408,7.3695;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 50 50 -4.84523157 0.00310856 0.00100000 F 0.00087194 0.00066667 F 0.00310856 0.00087194 0.12647857 0.01000000 F 0.04431449 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9191,3.479,7.1401;7.2733,3.929,9.5009;4.7419,1.7623,9.767;3.8648,2.7017,5.5604;8.4511,3.0975,8.4841;6.259,2.5401,10.6345;3.5653,1.8431,11.0863;8.1501,4.472,10.9417;2.4142,4.3709,7.3725;5.4209,3.2284,8.512;6.8308,5.4812,8.6997;3.4596,1.9387,8.2709;5.0796,4.9745,6.6898;5.2543,.0883,9.5447;5.7564,5.1783,7.4113;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 51 51 -4.84514870 0.00377383 0.00100000 F 0.00110426 0.00066667 F 0.00377383 0.00110426 0.06361408 0.01000000 F 0.02182926 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9182,3.4866,7.1462;7.2603,3.9361,9.5006;4.7461,1.7493,9.76;3.8163,2.712,5.5673;8.4792,3.115,8.5239;6.2756,2.5099,10.617;3.5829,1.8367,11.0904;8.0865,4.5082,10.9597;2.4365,4.406,7.4137;5.4242,3.2258,8.5104;6.8272,5.4741,8.6637;3.4601,1.9398,8.2729;5.1048,4.9497,6.6665;5.245,.0719,9.5312;5.7775,5.1638,7.3924;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 52 52 -4.84523034 0.00254854 0.00100000 F 0.00071998 0.00066667 F 0.00254854 0.00071998 0.01439660 0.01000000 F 0.00531340 0.00666667 T Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9208,3.4839,7.1441;7.2608,3.9364,9.5019;4.7453,1.7507,9.7596;3.8167,2.7142,5.5629;8.4716,3.1183,8.5128;6.271,2.5173,10.6207;3.5774,1.844,11.0856;8.1009,4.5036,10.9551;2.4397,4.4033,7.4161;5.4282,3.2171,8.505;6.8169,5.4769,8.6767;3.4626,1.9355,8.2688;5.1073,4.9487,6.6692;5.2451,.0722,9.5394;5.7759,5.1628,7.3982;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 53 53 -4.84523132 0.00220473 0.00100000 F 0.00065481 0.00066667 T 0.00220473 0.00065481 0.05626851 0.01000000 F 0.01990760 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9235,3.4799,7.1405;7.2698,3.9299,9.4992;4.7392,1.7598,9.7636;3.873,2.6977,5.5632;8.4504,3.1109,8.4752;6.264,2.5341,10.6263;3.5719,1.8564,11.0901;8.1505,4.4728,10.9375;2.4188,4.3742,7.3681;5.4267,3.2139,8.5006;6.8116,5.4817,8.706;3.4546,1.9405,8.2751;5.0863,4.9737,6.6968;5.2416,.0816,9.5496;5.7584,5.1777,7.4241;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 54 54 -4.84522491 0.00190635 0.00100000 F 0.00057289 0.00066667 T 0.00190635 0.00057289 0.04712950 0.01000000 F 0.01716528 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9286,3.4775,7.1385;7.2737,3.9258,9.4945;4.7335,1.7639,9.7642;3.9201,2.6833,5.567;8.4399,3.1204,8.4435;6.2643,2.5398,10.6231;3.5753,1.8758,11.098;8.1817,4.4555,10.9208;2.4095,4.3582,7.3276;5.4375,3.1892,8.482;6.7887,5.4836,8.7316;3.4396,1.952,8.2878;5.0754,4.9909,6.7244;5.2251,.0816,9.5587;5.7477,5.1874,7.4542;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 55 55 -4.84527688 0.00213607 0.00100000 F 0.00056518 0.00066667 T 0.00213607 0.00056518 0.01605795 0.01000000 F 0.00750368 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9297,3.4787,7.1392;7.2701,3.9279,9.4956;4.7341,1.7603,9.7598;3.9056,2.686,5.5673;8.4504,3.1329,8.4521;6.271,2.5303,10.615;3.5827,1.8837,11.0984;8.1657,4.4661,10.9265;2.4171,4.3683,7.3401;5.4462,3.1769,8.4714;6.7766,5.4807,8.7262;3.4372,1.9536,8.2899;5.0841,4.9836,6.721;5.2163,.0747,9.5586;5.7539,5.181,7.4546;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 56 56 -4.84529865 0.00174941 0.00100000 F 0.00050778 0.00066667 T 0.00174941 0.00050778 0.01841050 0.01000000 F 0.00724761 0.00666667 F Cartesian 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9308,3.4771,7.1373;7.2724,3.9261,9.4958;4.7322,1.7629,9.7596;3.9239,2.6772,5.5691;8.4483,3.1402,8.4404;6.2772,2.525,10.6096;3.5878,1.8958,11.1033;8.1765,4.4544,10.9251;2.4115,4.3594,7.3217;5.4483,3.1754,8.4674;6.77,5.4832,8.7403;3.4316,1.9594,8.2957;5.0781,4.989,6.7268;5.2054,.0744,9.5612;5.7466,5.1852,7.4625;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 57 57 CONVERGED -4.84532179 0.00093390 0.00100000 T 0.00038009 0.00066667 T 0.00093390 0.00038009 0.00500271 0.01000000 T 0.00214520 0.00666667 T NOSYM -3 W Mo W O O O O O O O O O O O H 183.95093200 97.90540600 183.95093200 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 1.00782500 2575.54 203.92 2909.60 1.198516 10.944 34.223 50.661 61.971 73.424 95.201 152.023 162.491 185.782 189.283 206.936 212.553 228.600 272.154 287.956 298.599 303.720 309.462 311.126 319.473 323.302 350.066 452.517 506.270 564.949 607.927 624.741 676.021 695.845 766.106 800.981 830.402 839.990 848.487 876.035 897.173 908.970 1080.338 2916.664 W Mo W O O O O O O O O O O O H 0.011 0.006 0.009 -0.033 0.033 0.008 0.009 -0.030 -0.018 -0.459 0.075 -0.025 0.114 0.001 0.198 -0.037 0.023 0.006 -0.027 -0.028 -0.047 -0.220 0.188 0.068 0.213 0.266 0.397 0.055 -0.072 -0.056 0.009 -0.039 -0.174 0.040 -0.047 -0.041 0.243 -0.251 -0.280 0.035 -0.027 0.024 0.173 -0.143 -0.240 0.024 -0.042 -0.006 0.020 0.005 0.041 -0.018 0.020 -0.030 -0.135 0.103 -0.077 -0.057 0.276 -0.250 0.015 0.043 -0.043 -0.026 0.334 -0.066 0.230 -0.144 -0.036 0.071 -0.000 0.219 0.158 -0.280 -0.241 -0.340 0.049 0.390 0.015 -0.093 -0.055 0.025 -0.021 0.055 -0.136 -0.045 0.260 -0.098 0.014 0.151 -0.005 -0.023 -0.005 0.018 -0.004 0.049 -0.010 0.036 -0.015 -0.090 0.077 -0.058 -0.270 -0.274 -0.075 -0.285 0.401 0.220 -0.173 -0.270 -0.122 0.343 -0.105 -0.119 0.016 -0.024 0.159 -0.057 0.054 0.010 0.091 0.012 0.054 0.075 -0.143 -0.106 0.003 -0.014 -0.020 0.408 0.157 -0.015 -0.006 -0.025 -0.025 -0.024 0.002 0.007 0.036 -0.028 -0.012 0.014 0.005 -0.019 0.022 0.249 -0.121 0.139 -0.164 0.206 -0.001 -0.004 -0.003 -0.132 0.301 -0.177 -0.132 0.097 0.047 -0.143 -0.245 0.196 0.024 0.028 -0.002 0.204 -0.067 -0.217 0.223 -0.261 -0.240 -0.245 0.207 0.204 -0.049 -0.056 0.313 -0.084 0.092 0.100 0.038 0.007 -0.013 -0.067 0.042 -0.060 -0.002 -0.035 0.056 0.007 0.087 -0.059 -0.222 0.079 -0.260 0.127 -0.239 -0.057 -0.092 0.088 -0.044 0.049 -0.178 -0.049 0.071 0.021 0.095 -0.287 0.430 0.419 0.042 0.147 0.088 0.225 -0.198 -0.214 0.169 -0.105 -0.142 -0.092 -0.076 0.110 0.037 0.034 -0.078 0.167 0.081 0.057 -0.177 -0.002 -0.241 -0.054 -0.086 0.079 0.234 0.131 0.033 -0.126 0.006 -0.188 -0.206 0.187 0.092 -0.111 -0.211 0.046 -0.218 0.071 -0.238 0.092 -0.045 0.108 0.210 -0.288 -0.166 -0.194 0.025 -0.223 0.043 0.032 0.065 -0.021 0.190 0.198 0.073 -0.054 0.170 0.047 0.236 0.187 0.093 -0.023 0.120 0.105 0.119 0.063 -0.160 -0.045 -0.132 0.195 -0.207 0.202 -0.071 -0.052 0.005 0.067 0.017 -0.246 0.101 0.041 0.075 0.347 0.476 -0.231 0.029 -0.140 0.241 -0.190 0.134 0.054 -0.015 -0.039 -0.203 -0.117 -0.157 0.027 -0.046 0.033 -0.079 -0.181 -0.057 -0.088 -0.001 0.076 -0.116 -0.012 0.062 -0.015 -0.150 -0.067 0.105 0.110 -0.017 -0.035 0.045 -0.009 0.024 -0.435 -0.429 0.064 0.122 -0.054 0.074 0.207 0.313 0.003 0.133 0.318 -0.208 -0.014 0.094 -0.161 -0.035 -0.046 0.033 -0.318 -0.176 -0.087 0.003 0.035 0.033 0.086 -0.068 0.004 -0.007 -0.080 0.151 0.052 -0.061 0.096 0.024 -0.068 0.182 -0.133 -0.012 -0.072 0.067 0.103 -0.137 0.151 -0.326 0.318 -0.148 -0.103 -0.023 -0.089 0.008 0.048 -0.169 0.296 -0.360 -0.299 -0.375 0.165 0.049 0.027 0.016 0.111 0.036 -0.024 0.149 0.119 0.015 -0.021 0.013 -0.016 0.064 -0.097 -0.026 -0.046 0.069 -0.178 0.091 0.015 -0.114 0.077 -0.062 -0.028 -0.074 -0.124 0.000 -0.019 0.142 0.008 -0.091 0.154 -0.150 -0.031 -0.083 0.007 0.171 -0.177 -0.056 0.234 -0.078 0.264 -0.173 0.036 0.005 0.033 -0.251 0.399 -0.045 0.093 0.062 -0.243 -0.138 0.033 0.035 -0.044 -0.001 -0.124 0.097 0.092 0.037 0.225 -0.446 -0.149 0.109 0.146 0.036 0.031 -0.052 -0.048 0.066 0.026 -0.010 -0.036 -0.022 -0.162 -0.189 0.064 -0.176 -0.172 0.065 -0.048 0.069 -0.114 0.380 0.067 0.295 -0.046 -0.363 0.195 -0.036 -0.155 0.154 0.015 0.046 -0.143 0.229 0.155 0.019 -0.026 0.046 0.114 -0.168 0.184 -0.178 0.038 -0.057 0.234 -0.099 0.163 -0.272 0.006 -0.078 -0.021 -0.032 0.144 0.021 0.042 -0.015 0.042 -0.081 0.229 -0.192 -0.265 -0.178 0.037 -0.003 -0.051 0.065 -0.082 -0.037 -0.062 0.171 0.004 -0.054 0.109 0.077 0.059 0.135 -0.131 -0.070 0.304 0.189 -0.089 -0.062 0.149 0.058 -0.066 0.065 0.221 -0.523 -0.126 -0.352 0.016 0.014 0.136 0.035 0.072 -0.039 0.013 -0.030 0.030 0.040 0.000 0.044 -0.269 -0.398 0.206 0.009 0.031 -0.017 0.018 -0.064 0.107 -0.336 -0.116 -0.262 0.104 0.060 -0.051 -0.161 -0.308 0.125 0.089 0.030 -0.017 -0.128 -0.082 0.027 0.146 0.096 0.022 -0.156 0.158 -0.229 -0.249 -0.062 -0.130 -0.104 0.130 -0.267 -0.034 0.042 0.032 0.006 0.020 -0.007 0.009 0.002 0.013 0.305 0.285 -0.070 0.025 -0.045 0.061 -0.084 0.129 0.049 0.099 -0.008 0.096 0.026 -0.106 0.029 -0.298 -0.388 0.054 0.080 -0.102 -0.101 -0.053 0.003 0.004 0.068 -0.052 -0.031 0.275 -0.298 -0.391 -0.202 -0.038 -0.149 0.072 -0.082 -0.279 -0.018 -0.033 0.018 0.012 -0.003 -0.007 0.027 0.032 0.005 0.300 0.107 -0.059 0.000 -0.147 0.075 0.073 -0.079 -0.091 -0.075 -0.297 -0.069 -0.017 -0.017 0.020 0.152 0.257 0.085 -0.011 0.079 -0.124 -0.157 -0.036 0.094 -0.046 0.006 0.011 -0.254 0.174 -0.371 -0.136 -0.021 0.227 -0.258 0.181 -0.433 -0.003 -0.008 -0.017 0.040 -0.019 -0.095 0.027 -0.033 -0.011 -0.011 -0.117 0.030 0.250 -0.165 0.198 -0.275 0.418 0.181 0.189 0.121 0.087 -0.069 0.022 -0.066 0.089 0.125 0.046 -0.146 0.210 0.173 -0.250 0.085 0.304 0.060 -0.043 -0.038 -0.040 0.055 0.105 -0.305 -0.129 -0.129 -0.137 0.089 0.184 0.011 -0.019 0.007 -0.032 -0.073 0.078 0.025 -0.031 0.002 0.079 0.122 -0.067 -0.008 0.406 -0.239 -0.219 0.183 0.230 0.097 0.242 0.021 0.033 -0.029 0.041 0.091 0.100 0.014 -0.068 0.083 0.073 0.114 -0.246 -0.304 -0.058 0.044 0.062 -0.230 0.152 -0.248 -0.042 -0.047 -0.140 -0.076 0.065 -0.387 -0.039 0.019 -0.060 -0.003 0.052 -0.017 -0.013 -0.063 0.069 0.384 -0.154 0.006 0.078 -0.091 0.198 0.056 -0.083 -0.118 -0.180 0.428 -0.098 0.119 -0.147 -0.033 0.065 0.131 0.391 -0.062 -0.099 -0.047 -0.094 0.033 -0.014 -0.046 0.085 0.074 -0.051 0.008 -0.030 0.355 0.070 -0.329 -0.095 0.072 -0.004 -0.056 0.022 -0.069 -0.020 -0.044 0.035 0.030 0.036 -0.024 0.351 -0.284 0.058 -0.052 0.172 -0.151 -0.029 0.051 0.072 0.076 -0.245 0.033 -0.051 0.074 0.011 0.005 0.049 0.457 -0.038 -0.002 -0.019 0.179 -0.032 -0.083 0.005 0.043 -0.022 0.167 -0.150 0.283 -0.201 -0.050 0.200 0.167 -0.181 0.331 0.010 -0.013 -0.015 0.141 -0.008 -0.013 0.007 -0.035 -0.003 0.011 0.127 -0.095 -0.255 -0.200 -0.361 -0.032 0.098 -0.033 -0.132 0.124 -0.145 -0.428 0.289 0.240 -0.053 -0.164 0.124 -0.089 0.078 0.073 0.014 0.021 0.216 -0.230 0.278 0.264 0.040 -0.013 -0.041 0.089 -0.035 0.039 -0.045 0.018 0.002 -0.031 0.027 0.003 0.090 0.016 0.023 -0.022 -0.004 0.052 0.060 -0.184 0.121 -0.252 -0.112 -0.276 -0.003 0.040 -0.055 0.082 0.035 0.162 -0.237 0.126 0.208 0.059 0.237 -0.118 0.131 -0.184 -0.171 0.005 -0.047 0.015 0.327 -0.377 -0.340 -0.072 0.062 -0.041 -0.049 0.039 -0.271 0.033 -0.050 -0.122 0.014 0.007 -0.006 0.091 0.104 0.012 0.012 0.009 -0.006 -0.050 0.004 -0.022 -0.081 -0.070 -0.013 0.048 0.122 -0.078 -0.058 -0.094 -0.049 -0.023 -0.402 0.271 0.002 0.007 -0.018 -0.099 0.011 0.123 -0.475 -0.275 -0.455 -0.042 -0.001 0.044 0.012 -0.090 0.205 -0.093 -0.034 0.045 0.052 -0.124 0.273 0.027 0.017 0.004 -0.064 -0.069 0.041 0.056 0.005 0.055 -0.060 0.018 -0.006 0.025 0.077 0.027 0.049 0.369 -0.591 -0.122 -0.020 -0.108 -0.019 -0.002 -0.019 -0.019 -0.011 -0.075 -0.398 0.026 -0.289 0.128 -0.021 0.030 -0.172 -0.296 0.123 0.112 0.041 0.059 -0.100 -0.015 -0.088 0.090 -0.040 0.104 0.021 0.031 -0.014 0.030 0.040 -0.028 0.034 0.020 0.004 -0.018 -0.040 0.042 0.014 -0.015 0.015 0.053 -0.161 0.359 0.030 -0.014 -0.007 -0.061 -0.033 -0.021 0.001 -0.054 0.026 -0.298 -0.350 0.106 0.037 0.036 0.032 -0.589 -0.350 -0.190 0.034 0.128 -0.074 -0.016 0.015 0.006 0.021 0.229 -0.114 0.016 0.044 -0.028 -0.013 -0.026 0.003 -0.029 0.001 -0.033 0.035 0.056 0.005 0.027 -0.008 -0.020 0.390 0.178 0.197 -0.064 -0.016 -0.046 -0.032 -0.028 0.025 0.061 0.058 -0.032 0.042 -0.096 0.122 0.068 0.178 0.015 0.116 -0.316 0.452 -0.356 -0.365 0.001 -0.039 -0.007 -0.030 -0.314 -0.068 -0.050 0.004 -0.006 0.010 -0.027 -0.026 0.012 0.002 0.005 -0.007 0.001 -0.014 0.002 0.017 0.005 0.001 0.171 0.289 -0.267 0.008 -0.044 0.013 0.014 0.009 0.020 -0.007 -0.007 0.020 -0.068 -0.458 0.476 0.067 0.059 0.025 0.061 0.339 -0.327 -0.149 -0.034 -0.091 -0.014 0.010 0.028 -0.125 0.226 -0.191 0.050 0.040 0.005 0.017 0.009 -0.000 0.035 0.015 0.019 -0.011 -0.017 -0.044 -0.023 0.008 0.013 -0.416 -0.213 -0.183 0.004 0.007 0.039 0.017 0.035 -0.033 -0.053 0.024 -0.002 0.008 0.059 -0.039 0.017 -0.035 0.067 -0.174 0.022 -0.180 -0.449 -0.534 0.091 0.017 -0.028 0.008 -0.240 -0.251 -0.201 -0.007 0.003 -0.007 -0.026 -0.044 0.013 -0.014 -0.039 0.035 0.005 -0.024 0.013 0.009 -0.010 -0.028 0.285 0.252 -0.039 0.058 0.011 -0.097 0.046 0.017 0.072 -0.003 -0.022 0.031 0.557 0.374 0.032 -0.052 0.107 -0.070 -0.479 -0.073 -0.320 -0.011 -0.048 0.012 -0.018 0.096 -0.013 -0.036 0.023 0.063 0.035 -0.008 0.035 0.005 0.004 0.006 -0.024 -0.032 0.016 -0.028 -0.040 -0.095 0.022 -0.004 -0.007 0.370 0.104 0.323 0.090 0.009 -0.087 -0.060 -0.045 -0.026 -0.125 0.048 -0.010 -0.401 0.111 -0.468 0.009 0.016 -0.003 0.089 0.332 -0.310 -0.117 -0.175 0.057 -0.008 0.095 0.006 0.012 -0.136 -0.094 0.002 -0.006 0.002 0.047 -0.063 0.040 0.005 0.003 0.002 -0.005 0.001 0.006 -0.055 0.039 0.028 -0.078 -0.042 -0.012 -0.002 -0.001 0.005 -0.060 -0.023 -0.081 -0.037 0.028 -0.003 -0.034 -0.009 -0.026 -0.108 0.377 -0.192 0.014 0.015 -0.009 0.027 0.004 -0.033 0.002 -0.008 0.001 -0.515 0.585 0.404 -0.004 0.004 0.004 0.010 -0.008 0.016 0.000 0.000 0.000 0.005 -0.018 -0.048 -0.001 0.001 -0.001 -0.006 -0.000 -0.007 -0.001 0.000 0.001 -0.042 -0.024 -0.066 0.037 -0.027 -0.000 0.002 -0.004 0.011 -0.037 0.083 -0.022 -0.001 -0.001 0.003 -0.019 0.025 0.014 -0.000 0.001 0.000 0.677 -0.556 -0.460 -0.006 0.007 0.009 0.014 -0.081 -0.126 -0.005 0.005 0.004 0.003 -0.031 -0.068 -0.306 0.207 0.292 -0.015 -0.016 0.031 0.053 -0.005 -0.061 0.302 0.191 0.495 0.083 -0.052 -0.010 -0.079 -0.023 -0.029 -0.047 0.124 -0.021 0.013 0.002 0.006 -0.011 0.006 0.016 0.010 -0.028 -0.004 0.424 -0.219 -0.322 -0.001 0.001 0.003 0.003 -0.010 -0.014 0.060 -0.065 -0.057 -0.000 -0.010 -0.018 -0.042 0.029 0.039 0.008 0.019 0.025 -0.484 0.074 0.566 0.027 0.018 0.047 0.018 -0.011 -0.003 -0.021 0.038 -0.014 -0.003 0.011 -0.001 -0.018 0.016 -0.010 -0.001 -0.003 0.003 -0.183 0.612 0.084 0.022 0.018 -0.025 -0.038 0.040 0.040 -0.007 0.009 0.011 -0.000 0.001 0.002 0.003 -0.191 -0.361 0.055 -0.037 -0.052 -0.002 -0.003 0.001 0.003 -0.001 -0.003 -0.007 -0.006 -0.012 0.436 -0.255 -0.066 -0.006 -0.004 -0.035 0.014 -0.021 -0.007 0.008 0.008 -0.020 0.014 -0.035 -0.015 0.004 -0.011 -0.001 -0.505 0.438 0.331 0.004 -0.003 -0.003 -0.094 0.001 0.023 0.005 -0.007 0.006 0.001 0.024 0.042 0.464 -0.303 -0.410 -0.117 -0.096 -0.000 0.073 -0.004 -0.086 0.256 0.138 0.380 -0.020 0.011 0.005 -0.094 -0.046 -0.025 -0.081 0.235 -0.124 0.020 -0.002 0.024 0.001 0.007 0.020 -0.042 0.151 0.015 0.274 -0.084 -0.223 0.021 0.007 0.024 0.016 0.010 -0.007 -0.012 -0.035 0.018 -0.010 -0.204 -0.411 -0.069 0.043 0.060 -0.098 -0.046 -0.051 0.302 -0.023 -0.358 -0.041 -0.022 -0.067 -0.309 0.176 0.027 0.059 -0.077 0.137 0.026 -0.067 0.038 0.050 -0.096 0.151 0.035 0.046 -0.027 -0.141 0.528 0.054 -0.065 0.158 0.065 -0.029 0.001 -0.036 0.025 0.004 0.004 -0.007 -0.030 0.021 0.012 0.241 0.486 -0.071 0.044 0.059 -0.067 -0.033 -0.031 0.230 -0.018 -0.271 -0.055 -0.030 -0.087 0.395 -0.224 -0.037 -0.067 -0.024 -0.023 0.002 -0.018 0.004 0.044 0.050 -0.010 -0.044 -0.052 0.012 -0.106 0.397 0.041 -0.166 -0.310 0.168 -0.003 -0.001 -0.003 0.002 0.001 0.002 -0.001 -0.001 0.001 -0.001 0.008 0.013 -0.002 0.001 0.001 0.000 0.001 -0.002 0.005 -0.001 -0.005 -0.005 -0.003 -0.009 0.009 -0.005 -0.002 0.003 0.008 -0.006 -0.005 -0.015 0.005 0.005 -0.002 0.007 0.005 -0.027 0.040 -0.002 0.006 0.001 0.329 0.797 -0.504 -0.000 -0.001 0.000 -0.000 0.001 -0.001 0.000 0.000 0.000 0.000 0.001 0.001 0.001 -0.001 -0.001 -0.001 -0.001 0.000 -0.000 -0.000 -0.000 0.001 0.000 0.002 0.002 -0.000 -0.000 -0.001 0.000 -0.002 0.005 -0.004 0.006 -0.000 0.001 -0.002 -0.043 -0.011 -0.049 -0.000 0.000 -0.000 0.674 0.204 0.707 10.943681 34.222797 50.660581 61.970655 73.424424 95.201153 152.023249 162.491312 185.782442 189.283056 206.935723 212.552984 228.600060 272.154142 287.956450 298.599254 303.719992 309.462266 311.125575 319.472944 323.302159 350.066479 452.516940 506.269799 564.949464 607.926941 624.741230 676.020605 695.845263 766.106258 800.981026 830.402369 839.989745 848.487126 876.035025 897.173094 908.970039 1080.337600 2916.664477 0.000000 594.498998 105.299851 96.652856 86.292936 82.028751 125.480435 67.130417 9.545992 15.614820 1087.939004 531.918623 784.727863 166.967808 322.775235 189.721343 398.682894 32.693610 108.442784 296.560450 120.274171 1785.817329 1908.986701 2296.115931 4024.733917 471.502916 5379.263555 3371.218278 3457.905534 3331.422931 1044.391320 1875.973576 2559.071266 3261.827123 715.333033 915.293249 619.499757 818.548883 3244.821851 0.000000 5.099701 1.337137 1.501339 1.588159 1.957431 4.781499 2.734183 0.444533 0.740844 56.431044 28.339388 44.964885 11.390054 23.297273 14.199825 30.351423 2.535996 8.456963 23.747910 9.746732 156.698785 216.528873 291.376084 569.934366 71.847861 842.366450 571.248242 603.120194 639.730196 209.683160 390.475119 538.808496 693.720082 157.075272 205.832794 141.146066 221.657373 2372.222389 1.000000 298.150000 5209.9339 7596.8763 11387.9302 1 NOSYM 298.15 45.264 34.465 55.309 135.039 0.889 0.889 36.114 37.891 2.981 2.981 50.066 56.027 639.6134000000002 AuxInfo=1/1/N:2;13;4;5;6;7;8;9;10;11;12;14;3;1/rA:15nWMoWO1O1OO1O1O1O3O1OOO1H/rB:;;s1;s2;s2s3;s3;s2;s1;s1s2s3;s2;s1s3;s1;s3;s13;/rC:3.9308,3.4771,7.1373;7.2724,3.9261,9.4958;4.7322,1.7629,9.7596;3.9239,2.6772,5.5691;8.4483,3.1402,8.4404;6.2772,2.525,10.6096;3.5878,1.8958,11.1033;8.1765,4.4544,10.9251;2.4115,4.3594,7.3217;5.4483,3.1754,8.4674;6.77,5.4832,8.7403;3.4316,1.9594,8.2957;5.0781,4.989,6.7268;5.2054,.0744,9.5612;5.7466,5.1852,7.4625;/R:/0/N:2,5,8,11,13,4,9,7,14,6,12,10,1,3/E:(2,3,4)(6,7)(8,9)/CRV:2.1,3.1,4.1,6.1,7.1,8.1,9.1,12.3 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 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 -6.621 -6.464 -6.336 -6.279 -6.207 -6.126 -6.108 -6.023 -5.929 -5.809 -1.898 -1.799 -1.670 -1.412 -1.183 -0.909 -0.606 -0.449 -0.039 0.065 A A A A A A A A A A A A A A A A A A A A 0.00000000019772 0.00010428370795 0.00009638156334 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 74 74 42 8 8 8 8 8 8 8 8 8 8 8 1 3.930787 3.477108 7.137331 4.732168 1.762900 9.759649 7.272392 3.926122 9.495793 3.923859 2.677177 5.569107 8.448285 3.140221 8.440355 6.277222 2.525013 10.609646 3.587836 1.895799 11.103313 8.176453 4.454414 10.925147 2.411533 4.359413 7.321669 5.448259 3.175440 8.467370 6.770013 5.483162 8.740341 3.431577 1.959393 8.295699 5.078073 4.989000 6.726788 5.205379 0.074405 9.561173 5.746562 5.185232 7.462513 1 3 -3 3.930787 3.477108 7.137331 Rho 0.4361416E+07 3,-3 2 3 -3 4.732168 1.762900 9.759649 Rho 0.4361416E+07 3,-3 3 3 -3 7.272392 3.926122 9.495793 Rho 0.1240650E+06 3,-3 4 3 -3 3.923859 2.677177 5.569107 Rho 0.3192284E+03 3,-3 5 3 -3 8.448285 3.140221 8.440355 Rho 0.3192961E+03 3,-3 6 3 -3 6.277222 2.525013 10.609646 Rho 0.3189842E+03 3,-3 7 3 -3 3.587836 1.895799 11.103313 Rho 0.3192046E+03 3,-3 8 3 -3 8.176453 4.454414 10.925147 Rho 0.3192819E+03 3,-3 9 3 -3 2.411533 4.359413 7.321669 Rho 0.3192148E+03 3,-3 10 3 -3 5.448259 3.175440 8.467370 Rho 0.3188660E+03 3,-3 11 3 -3 6.770013 5.483162 8.740341 Rho 0.3191969E+03 3,-3 12 3 -3 3.431577 1.959393 8.295699 Rho 0.3189406E+03 3,-3 13 3 -3 5.078073 4.989000 6.726788 Rho 0.3187022E+03 3,-3 14 3 -3 5.205379 0.074405 9.561173 Rho 0.3192131E+03 3,-3 15 3 -3 5.746562 5.185232 7.462513 Rho 0.4250498E+00 3,-3 16 3 +1 4.428799 2.600023 8.388590 Rho 0.4719833E-01 |GRAD(Rho)| 0.1034441E-15 GRAD(Rho)x 0.8937262E-16 GRAD(Rho)y 0.5206878E-16 GRAD(Rho)z -0.1438106E-17 Laplacian 0.1986975E+00 (-1/4)Del**2(Rho)) -0.4967438E-01 Diamond 0.5453812E-01 Metallicity 0.2137790E+01 Ellipticity -0.4565391E+01 Gb(Abramov) 0.5081515E-01 Vb(Abramov) -0.5195593E-01 Hb(Abramov) -0.1140774E-02 Ex_ueg -0.1259758E-01 Ec_ueg -0.2260603E-02 Delta_ex -0.1432375E-01 Delta_ec 0.2715841E-02 Delta_et -0.2744912E-01 Pxc 0.5572664E+01 Qxc -0.5274150E+01 3,+1 17 3 -1 4.730692 3.324477 7.838481 Rho 0.1144205E+00 |GRAD(Rho)| 0.3190099E-15 GRAD(Rho)x 0.3102716E-15 GRAD(Rho)y -0.4766593E-16 GRAD(Rho)z 0.5680542E-16 Laplacian 0.4284758E+00 (-1/4)Del**2(Rho)) -0.1071189E+00 Diamond 0.6244593E+00 Metallicity 0.4337036E+01 Ellipticity 0.1032315E+00 Gb(Abramov) 0.1488424E+00 Vb(Abramov) -0.1905659E+00 Hb(Abramov) -0.4172347E-01 Ex_ueg -0.4102576E-01 Ec_ueg -0.6206583E-02 Delta_ex -0.4306517E-01 Delta_ec 0.1153089E-01 Delta_et -0.1468563E+00 Pxc 0.6610040E+01 Qxc -0.3734766E+01 3,-1 18 3 -1 6.079408 5.269514 7.880966 Rho 0.4990360E-01 |GRAD(Rho)| 0.1038485E-15 GRAD(Rho)x -0.8237773E-16 GRAD(Rho)y -0.2070875E-16 GRAD(Rho)z -0.5974590E-16 Laplacian 0.1277672E+00 (-1/4)Del**2(Rho)) -0.3194181E-01 Diamond 0.1035617E+00 Metallicity 0.3648212E+01 Ellipticity 0.1111046E-01 Gb(Abramov) 0.4071629E-01 Vb(Abramov) -0.4949077E-01 Hb(Abramov) -0.8774481E-02 Ex_ueg -0.1356941E-01 Ec_ueg -0.2409546E-02 Delta_ex -0.1219535E-01 Delta_ec 0.6812966E-02 Delta_et -0.7265555E-01 Pxc 0.5631521E+01 Qxc -0.1790021E+01 3,-1 19 3 +1 5.831259 4.470956 8.083105 Rho 0.1575296E-01 |GRAD(Rho)| 0.2545363E-16 GRAD(Rho)x 0.3930233E-17 GRAD(Rho)y -0.2764716E-17 GRAD(Rho)z -0.2499594E-16 Laplacian 0.6984211E-01 (-1/4)Del**2(Rho)) -0.1746053E-01 Diamond 0.4237367E-02 Metallicity 0.9767114E+00 Ellipticity -0.1548626E+01 Gb(Abramov) 0.1448267E-01 Vb(Abramov) -0.1150481E-01 Hb(Abramov) 0.2977860E-02 Ex_ueg -0.2916541E-02 Ec_ueg -0.6354772E-03 Delta_ex -0.3725388E-02 Delta_ec 0.9674645E-03 Delta_et -0.7707399E-02 Pxc 0.4589529E+01 Qxc -0.3850672E+01 3,+1 20 3 -1 4.051869 1.878577 8.978874 Rho 0.1367066E+00 |GRAD(Rho)| 0.1111659E-14 GRAD(Rho)x 0.8385491E-15 GRAD(Rho)y -0.1558032E-15 GRAD(Rho)z 0.7129849E-15 Laplacian 0.5047172E+00 (-1/4)Del**2(Rho)) -0.1261793E+00 Diamond 0.9294729E+00 Metallicity 0.4953145E+01 Ellipticity 0.7879030E-01 Gb(Abramov) 0.1882836E+00 Vb(Abramov) -0.2503879E+00 Hb(Abramov) -0.6210430E-01 Ex_ueg -0.5201212E-01 Ec_ueg -0.7598057E-02 Delta_ex -0.5315098E-01 Delta_ec 0.1339341E-01 Delta_et -0.1764678E+00 Pxc 0.6845450E+01 Qxc -0.3968444E+01 3,-1 21 3 -1 3.681110 2.676758 7.759469 Rho 0.1348384E+00 |GRAD(Rho)| 0.2732455E-12 GRAD(Rho)x 0.4961261E-13 GRAD(Rho)y 0.2008977E-12 GRAD(Rho)z -0.1784427E-12 Laplacian 0.5008059E+00 (-1/4)Del**2(Rho)) -0.1252015E+00 Diamond 0.9040408E+00 Metallicity 0.4878649E+01 Ellipticity 0.7461975E-01 Gb(Abramov) 0.1852700E+00 Vb(Abramov) -0.2453385E+00 Hb(Abramov) -0.6006851E-01 Ex_ueg -0.5106653E-01 Ec_ueg -0.7480134E-02 Delta_ex -0.5252853E-01 Delta_ec 0.1326972E-01 Delta_et -0.1743299E+00 Pxc 0.6826954E+01 Qxc -0.3958526E+01 3,-1 22 3 -1 5.596753 5.139839 7.299196 Rho 0.3019377E+00 |GRAD(Rho)| 0.1503987E-14 GRAD(Rho)x -0.4322850E-15 GRAD(Rho)y -0.9466857E-15 GRAD(Rho)z 0.1085768E-14 Laplacian -0.1482680E+01 (-1/4)Del**2(Rho)) 0.3706701E+00 Diamond 0.5020257E+01 Metallicity -0.6315791E+01 Ellipticity 0.7359942E-02 Gb(Abramov) 0.1430657E+00 Vb(Abramov) -0.6568016E+00 Hb(Abramov) -0.5137359E+00 Ex_ueg -0.1496034E+00 Ec_ueg -0.1882584E-01 Delta_ex 0.1435761E+00 Delta_ec 0.5305340E-01 Delta_et -0.1225004E+01 Pxc 0.7946704E+01 Qxc 0.2706256E+01 3,-1 23 3 -1 4.113732 1.837416 10.484740 Rho 0.2242532E+00 |GRAD(Rho)| 0.5543320E-15 GRAD(Rho)x 0.4581296E-15 GRAD(Rho)y -0.3078457E-16 GRAD(Rho)z -0.3105697E-15 Laplacian 0.8261116E+00 (-1/4)Del**2(Rho)) -0.2065279E+00 Diamond 0.2691936E+01 Metallicity 0.6904604E+01 Ellipticity 0.2487149E-01 Gb(Abramov) 0.3753508E+00 Vb(Abramov) -0.5441738E+00 Hb(Abramov) -0.1688229E+00 Ex_ueg -0.1006244E+00 Ec_ueg -0.1335738E-01 Delta_ex -0.9806033E-01 Delta_ec 0.1860748E-01 Delta_et -0.2569667E+00 Pxc 0.7533244E+01 Qxc -0.5269941E+01 3,-1 24 3 -1 4.988229 0.850335 9.652085 Rho 0.2272894E+00 |GRAD(Rho)| 0.1462134E-10 GRAD(Rho)x 0.3948008E-11 GRAD(Rho)y -0.1397687E-10 GRAD(Rho)z -0.1686446E-11 Laplacian 0.8227808E+00 (-1/4)Del**2(Rho)) -0.2056952E+00 Diamond 0.2732124E+01 Metallicity 0.7089694E+01 Ellipticity 0.1772820E-01 Gb(Abramov) 0.3801828E+00 Vb(Abramov) -0.5546705E+00 Hb(Abramov) -0.1744876E+00 Ex_ueg -0.1024449E+00 Ec_ueg -0.1356489E-01 Delta_ex -0.9804807E-01 Delta_ec 0.1853546E-01 Delta_et -0.2564518E+00 Pxc 0.7552213E+01 Qxc -0.5289755E+01 3,-1 25 3 -1 6.738925 3.193087 10.065938 Rho 0.1056227E+00 |GRAD(Rho)| 0.8898356E-15 GRAD(Rho)x 0.3818052E-15 GRAD(Rho)y 0.7275674E-15 GRAD(Rho)z -0.3415813E-15 Laplacian 0.3932802E+00 (-1/4)Del**2(Rho)) -0.9832005E-01 Diamond 0.5175598E+00 Metallicity 0.4135294E+01 Ellipticity 0.7218506E-01 Gb(Abramov) 0.1333104E+00 Vb(Abramov) -0.1683008E+00 Hb(Abramov) -0.3499037E-01 Ex_ueg -0.3687466E-01 Ec_ueg -0.5666895E-02 Delta_ex -0.3874107E-01 Delta_ec 0.1069426E-01 Delta_et -0.1340827E+00 Pxc 0.6507030E+01 Qxc -0.3622603E+01 3,-1 26 3 +1 6.112016 3.075073 9.486852 Rho 0.3839534E-01 |GRAD(Rho)| 0.2344097E-15 GRAD(Rho)x -0.1241718E-15 GRAD(Rho)y 0.5388331E-16 GRAD(Rho)z -0.1913789E-15 Laplacian 0.1582779E+00 (-1/4)Del**2(Rho)) -0.3956947E-01 Diamond 0.2738572E-01 Metallicity 0.1902497E+01 Ellipticity -0.1998752E+01 Gb(Abramov) 0.3892644E-01 Vb(Abramov) -0.3828342E-01 Hb(Abramov) 0.6430251E-03 Ex_ueg -0.9566575E-02 Ec_ueg -0.1784246E-02 Delta_ex -0.1044217E-01 Delta_ec 0.1589943E-02 Delta_et -0.1535182E-01 Pxc 0.5361690E+01 Qxc -0.6567637E+01 3,+1 27 3 -1 6.322239 3.544511 8.961431 Rho 0.6762926E-01 |GRAD(Rho)| 0.3199181E-14 GRAD(Rho)x 0.2805388E-14 GRAD(Rho)y 0.1008027E-14 GRAD(Rho)z 0.1161223E-14 Laplacian 0.2726453E+00 (-1/4)Del**2(Rho)) -0.6816134E-01 Diamond 0.2069817E+00 Metallicity 0.2837306E+01 Ellipticity 0.2184192E-01 Gb(Abramov) 0.7767331E-01 Vb(Abramov) -0.8718529E-01 Hb(Abramov) -0.9511978E-02 Ex_ueg -0.2035001E-01 Ec_ueg -0.3410335E-02 Delta_ex -0.2419502E-01 Delta_ec 0.8032768E-02 Delta_et -0.9142669E-01 Pxc 0.5967157E+01 Qxc -0.3012040E+01 3,-1 28 3 -1 4.552903 4.274764 6.943785 Rho 0.1459533E+00 |GRAD(Rho)| 0.6441706E-15 GRAD(Rho)x 0.4724275E-15 GRAD(Rho)y 0.4377737E-15 GRAD(Rho)z 0.1104870E-16 Laplacian 0.5388199E+00 (-1/4)Del**2(Rho)) -0.1347050E+00 Diamond 0.1086434E+01 Metallicity 0.5174392E+01 Ellipticity 0.1177716E+00 Gb(Abramov) 0.2059727E+00 Vb(Abramov) -0.2772404E+00 Hb(Abramov) -0.7126772E-01 Ex_ueg -0.5675492E-01 Ec_ueg -0.8184971E-02 Delta_ex -0.5778506E-01 Delta_ec 0.1431363E-01 Delta_et -0.1910253E+00 Pxc 0.6934041E+01 Qxc -0.4037066E+01 3,-1 29 3 -1 3.927651 3.044202 6.289420 Rho 0.2297874E+00 |GRAD(Rho)| 0.9892547E-15 GRAD(Rho)x 0.8307191E-16 GRAD(Rho)y -0.3745919E-15 GRAD(Rho)z -0.9118140E-15 Laplacian 0.8321976E+00 (-1/4)Del**2(Rho)) -0.2080494E+00 Diamond 0.2802374E+01 Metallicity 0.7138337E+01 Ellipticity 0.2251517E-01 Gb(Abramov) 0.3862207E+00 Vb(Abramov) -0.5643920E+00 Hb(Abramov) -0.1781713E+00 Ex_ueg -0.1039489E+00 Ec_ueg -0.1373600E-01 Delta_ex -0.9946553E-01 Delta_ec 0.1871258E-01 Delta_et -0.2591400E+00 Pxc 0.7567625E+01 Qxc -0.5315436E+01 3,-1 30 3 -1 5.103671 2.505833 9.078730 Rho 0.1162690E+00 |GRAD(Rho)| 0.7857599E-15 GRAD(Rho)x 0.2271200E-15 GRAD(Rho)y 0.6168772E-15 GRAD(Rho)z -0.4304621E-15 Laplacian 0.4189256E+00 (-1/4)Del**2(Rho)) -0.1047314E+00 Diamond 0.6280859E+00 Metallicity 0.4555987E+01 Ellipticity 0.1100425E+00 Gb(Abramov) 0.1493468E+00 Vb(Abramov) -0.1939621E+00 Hb(Abramov) -0.4461535E-01 Ex_ueg -0.4191184E-01 Ec_ueg -0.6320695E-02 Delta_ex -0.4234507E-01 Delta_ec 0.1137350E-01 Delta_et -0.1454900E+00 Pxc 0.6630891E+01 Qxc -0.3723134E+01 3,-1 31 3 -1 5.556600 2.179168 10.196473 Rho 0.1543800E+00 |GRAD(Rho)| 0.4618437E-15 GRAD(Rho)x -0.3904483E-15 GRAD(Rho)y -0.1992764E-15 GRAD(Rho)z -0.1453915E-15 Laplacian 0.5610686E+00 (-1/4)Del**2(Rho)) -0.1402671E+00 Diamond 0.1204185E+01 Metallicity 0.5456518E+01 Ellipticity 0.7326650E-01 Gb(Abramov) 0.2210731E+00 Vb(Abramov) -0.3018791E+00 Hb(Abramov) -0.8080597E-01 Ex_ueg -0.6116548E-01 Ec_ueg -0.8724483E-02 Delta_ex -0.6094274E-01 Delta_ec 0.1459910E-01 Delta_et -0.1962275E+00 Pxc 0.7010785E+01 Qxc -0.4174418E+01 3,-1 32 3 -1 6.998202 4.752596 9.090850 Rho 0.1942561E+00 |GRAD(Rho)| 0.4994703E-15 GRAD(Rho)x -0.3402091E-15 GRAD(Rho)y 0.3597925E-15 GRAD(Rho)z -0.6540450E-16 Laplacian 0.6940589E+00 (-1/4)Del**2(Rho)) -0.1735147E+00 Diamond 0.1925654E+01 Metallicity 0.6469062E+01 Ellipticity 0.1527746E-01 Gb(Abramov) 0.3027561E+00 Vb(Abramov) -0.4319974E+00 Hb(Abramov) -0.1292413E+00 Ex_ueg -0.8309048E-01 Ec_ueg -0.1133456E-01 Delta_ex -0.7956100E-01 Delta_ec 0.1655788E-01 Delta_et -0.2273687E+00 Pxc 0.7330722E+01 Qxc -0.4805022E+01 3,-1 33 3 -1 7.901396 3.506921 8.931821 Rho 0.2124879E+00 |GRAD(Rho)| 0.4489354E-12 GRAD(Rho)x -0.3337336E-12 GRAD(Rho)y 0.1866803E-12 GRAD(Rho)z 0.2351923E-12 Laplacian 0.7564889E+00 (-1/4)Del**2(Rho)) -0.1891222E+00 Diamond 0.2334296E+01 Metallicity 0.6892356E+01 Ellipticity 0.6973629E-02 Gb(Abramov) 0.3433311E+00 Vb(Abramov) -0.4975400E+00 Hb(Abramov) -0.1542089E+00 Ex_ueg -0.9364777E-01 Ec_ueg -0.1255805E-01 Delta_ex -0.8870446E-01 Delta_ec 0.1756982E-01 Delta_et -0.2428864E+00 Pxc 0.7457188E+01 Qxc -0.5048683E+01 3,-1 34 3 -1 3.110306 3.954477 7.239450 Rho 0.2264422E+00 |GRAD(Rho)| 0.1622952E-14 GRAD(Rho)x 0.1116186E-14 GRAD(Rho)y -0.1097972E-14 GRAD(Rho)z -0.4272705E-15 Laplacian 0.8288911E+00 (-1/4)Del**2(Rho)) -0.2072228E+00 Diamond 0.2739818E+01 Metallicity 0.6993772E+01 Ellipticity 0.2339190E-01 Gb(Abramov) 0.3796933E+00 Vb(Abramov) -0.5521638E+00 Hb(Abramov) -0.1724705E+00 Ex_ueg -0.1019362E+00 Ec_ueg -0.1350694E-01 Delta_ex -0.9867911E-01 Delta_ec 0.1869057E-01 Delta_et -0.2585384E+00 Pxc 0.7546947E+01 Qxc -0.5279619E+01 3,-1 35 3 -1 7.750769 4.206226 10.261052 Rho 0.2078902E+00 |GRAD(Rho)| 0.6612031E-15 GRAD(Rho)x 0.5745458E-15 GRAD(Rho)y 0.2058900E-15 GRAD(Rho)z 0.2543538E-15 Laplacian 0.7796188E+00 (-1/4)Del**2(Rho)) -0.1949047E+00 Diamond 0.2314519E+01 Metallicity 0.6448435E+01 Ellipticity 0.1268169E-01 Gb(Abramov) 0.3394082E+00 Vb(Abramov) -0.4839117E+00 Hb(Abramov) -0.1445035E+00 Ex_ueg -0.9095582E-01 Ec_ueg -0.1224777E-01 Delta_ex -0.9072009E-01 Delta_ec 0.1788695E-01 Delta_et -0.2456823E+00 Pxc 0.7426318E+01 Qxc -0.5071859E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 29 34 17 21 28 33 25 35 27 32 31 23 30 20 24 18 22 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 11 13 4 9 10 12 13 5 6 8 10 11 6 7 10 12 14 15 15 1.760473 1.766515 2.040277 1.973445 1.941811 1.764742 2.047959 1.771856 2.224553 1.802073 1.921069 1.769913 2.044025 1.968069 1.764749 1.664049 1.013250 1.760482 1.766527 2.040385 1.973890 1.942850 1.764803 2.048465 1.771924 2.225137 1.802184 1.921563 1.769930 2.044084 1.968438 1.764759 1.664694 1.013316 21 21 25 23 23 21 25 21 25 23 23 23 24 23 22 23 16 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 W Mo W O O O O O O O O O O O H 2.3152 2.0410 2.2970 -0.8595 -0.8307 -0.9872 -0.8745 -0.8237 -0.8652 -1.1285 -0.8872 -0.9966 -0.8396 -0.8725 0.3120 2.1264 2.0344 2.1199 1.9542 1.9611 1.9365 1.9511 1.9570 1.9520 1.9228 1.9550 1.9357 1.8727 1.9521 0.5256 6.1388 6.1785 6.1444 4.8730 4.8413 5.0213 4.8925 4.8401 4.8817 5.1703 4.9043 5.0279 4.9371 4.8885 0.1624 3.3928 3.7461 3.4116 0.0323 0.0283 0.0293 0.0310 0.0267 0.0314 0.0353 0.0279 0.0330 0.0298 0.0318 0.0000 14.0268 0.0000 14.0271 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 W Mo W O O O O O O O O O O O H 2.417769 3.071138 2.390319 -0.912059 -1.118331 -1.115022 -0.937305 -1.121877 -0.925809 -1.123867 -1.054568 -1.000625 -0.673400 -0.928898 0.032534 1.922873 2.282596 1.895426 -0.800580 -0.911461 -0.939055 -0.829661 -0.936146 -0.812821 -0.751829 -0.919257 -0.844744 -0.817510 -0.828261 0.290428 2.074228 2.379292 1.995637 -0.818812 -0.915334 -0.967854 -0.829021 -0.945368 -0.842898 -0.960373 -0.979912 -0.894535 -0.862813 -0.826878 0.394642 -77.86998702 -45.10697496 -126.16472937 154.97068434 135.73825587 -286.64361794 -784.99558625 476.09204631 -427.93437493 -611.83030218 -90.3852 121.2795 -34.3580 -113.2660 -15.1182 -131.8479 Mar08-2024 08:40:05 Nodes: 1 Procs: 1 Mar08-2024 08:40:06 Nodes: 1 Procs: 1 0 Mar08-2024 08:40:06 Nodes: 1 Procs: 1 Mar08-2024 08:40:07 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar08-2024 08:40:07 Nodes: 1 Procs: 1 Mar08-2024 08:40:08 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar08-2024 08:40:08 Nodes: 1 Procs: 1 Mar08-2024 08:40:09 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar08-2024 08:40:11 Nodes: 1 Procs: 24 *** (NO TITLE) *** -3 -4.73748432 -4.76182942 -4.81434658 -4.81448765 -4.83402809 -4.83850706 -4.84302011 -4.84391874 -4.84462489 -4.84471553 -4.84483426 -4.84488048 -4.84490493 -4.84491328 -4.84493108 -4.84494563 -4.84496454 -4.84497858 -4.84498585 -4.84499213 -4.84499763 -4.84501051 -4.84503419 -4.84506497 -4.84508045 -4.84509505 -4.84509982 -4.84510955 -4.84511498 -4.84512634 -4.84513996 -4.84515275 -4.84517247 -4.84517913 -4.84518693 -4.84519577 -4.84520259 -4.84520621 -4.84521191 -4.84524176 -4.84524218 -4.84524488 -4.84525022 -4.84524959 -4.84524844 -4.84524673 -4.84524653 -4.84524560 -4.84523298 -4.84523157 -4.84514870 -4.84523034 -4.84523132 -4.84522491 -4.84527688 -4.84529865 -4.84532179 GEOMETRY CONVERGED