ADF 2019 2019-11-09 x86_64_linux_intel / intelmpi Apr30-2021 21:26:32 Tantalum (TZP, 4d frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP 1128.7311 AuxInfo=1/0/N:1;2;4;5;6;7;9;10;11;12;13;16;17;19;3;8;14;15;18/rA:19nOO1TaO1OOO1TaO1O5OOOTaTaOO1TaO/rB:;;;s3;s3;s3;s3s4s5;;s3s8;s8;;s3;s1s3s6s8s10s12;s3s9s10s12s13s14;s8s14;s14;s1s2s8s10s11s14s15;s15s18;/rC:5.1139,7.263,10.8913;4.2641,4.9486,12.082;4.7204,6.8033,6.5513;7.9166,4.5833,8.3302;6.0628,5.571,6.7254;5.3388,8.2879,7.2469;4.706,6.9747,4.9346;6.5501,5.4503,8.4937;1.0346,7.2939,8.6715;4.5605,6.1444,8.5719;5.8667,4.6504,9.9982;3.4619,8.4636,9.1502;2.9185,6.807,6.8809;5.3572,8.0953,9.167;2.6328,6.9922,8.6858;6.9874,7.0751,8.9793;5.9438,9.5277,9.6074;4.4686,5.6542,10.6311;2.7149,5.8913,10.1532;/R:/0/N:2,4,9,7,17,11,19,5,13,1,16,12,6,10,18,8,15,3,14/E:(1,2,3,4)(6,7,8,9)(10,11,12,13)(15,16,17,18)/CRV:1.1,2.1,3.1,4.1,5.1,14.5,15.8,16.8,17.8,18.8,19.10 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 Apr30-2021 21:26:31 1 1 Oxygen TZP 1s t21.Ta ADF 2019 Apr30-2021 21:26:28 1 1 Tantalum TZP 4d 1 1 -6.17561612 0.42464745 0.00100000 F 0.15624873 0.00066667 F 0.42464745 0.15624873 0.19994501 0.01000000 F 0.06522595 0.00666667 F Cartesian 1128.7311 AuxInfo=1/0/N:1;2;4;5;6;7;9;10;11;12;13;16;17;19;3;8;14;15;18/rA:19nOO1TaO1OOO1TaO1O5OOOTaTaOO1TaO/rB:;;;s3;s3;s3;s4s5;;s3s8;s8;;s3;s1s6s10s12;s9s10s12s13;s8s14;s14;s1s2s10s11;s15s18;/rC:5.1306,7.2997,10.9374;4.2361,4.855,12.2571;4.7161,6.7972,6.5139;8.0813,4.4696,8.3082;6.0922,5.5312,6.6719;5.3596,8.3428,7.2291;4.7012,6.9879,4.7347;6.5761,5.422,8.4872;.8354,7.3235,8.6676;4.555,6.1308,8.5673;5.8905,4.588,10.0268;3.4493,8.5219,9.1658;2.8658,6.7995,6.8312;5.3665,8.1182,9.1739;2.594,6.9893,8.6825;7.0374,7.1088,8.9919;6.0148,9.701,9.6606;4.4603,5.6296,10.6591;2.6574,5.8609,10.1857;/R:/0/N:2,4,9,7,17,11,19,5,13,1,16,12,6,10,18,8,15,3,14/E:(1,2,3,4)(6,7,8,9)(10,11,12,13)(15,16,17,18)/CRV:1.1,2.1,3.1,4.1,5.1,14.5,19.6 2 2 -6.46609231 0.19300180 0.00100000 F 0.06714578 0.00066667 F 0.19300180 0.06714578 0.06666785 0.01000000 F 0.03221008 0.00666667 F Cartesian 1128.7311 AuxInfo=1/0/N:1;2;4;5;6;7;9;10;11;12;13;16;17;19;3;8;14;15;18/rA:19nOO1TaO1OOO1TaO1O5OOOTaTaOO1TaO/rB:;;;s3;s3;s3;s4s5;;s3s8;s8;;s3;s1s6s10s12;s9s10s12s13;s8s14;s14;s1s2s10s11;s15s18;/rC:5.1432,7.3251,10.9871;4.2309,4.8353,12.311;4.7136,6.7965,6.4712;8.1351,4.4449,8.3049;6.1136,5.4849,6.6206;5.3771,8.3905,7.2016;4.703,6.999,4.6785;6.6103,5.3951,8.4816;.7791,7.342,8.6697;4.5574,6.1371,8.5682;5.9072,4.5213,10.0486;3.427,8.5735,9.1793;2.8144,6.782,6.7834;5.3801,8.1511,9.184;2.5503,6.9932,8.681;7.0897,7.1311,9.0014;6.0328,9.7448,9.6741;4.4531,5.6066,10.6943;2.6017,5.8228,10.2113;/R:/0/N:2,4,9,7,17,11,19,5,13,1,16,12,6,10,18,8,15,3,14/E:(1,2,3,4)(6,7,8,9)(10,11,12,13)(15,16,17,18)/CRV:1.1,2.1,3.1,4.1,5.1,14.5,19.6 3 3 -6.53199858 0.15912634 0.00100000 F 0.04693003 0.00066667 F 0.15912634 0.04693003 0.05431988 0.01000000 F 0.02797259 0.00666667 F Cartesian 1128.7311 AuxInfo=1/0/N:1;2;4;5;6;7;9;10;11;12;13;16;17;19;3;8;14;15;18/rA:19nOO1TaO1OOO1TaO1O5OOOTaTaOO1TaO/rB:;;;s3;s3;s3;s4s5;;s3s8;s8;;s3;s1s6s10s12;s9s10s12s13;s8s14;s14;s1s2s10s11;s15s18;/rC:5.1486,7.3336,11.0275;4.2302,4.8279,12.3606;4.7115,6.7975,6.4225;8.187,4.4339,8.3057;6.1231,5.4439,6.5839;5.3871,8.4191,7.1724;4.7083,7.0176,4.6326;6.6511,5.366,8.4757;.734,7.3692,8.6749;4.5629,6.1507,8.5713;5.9138,4.467,10.0593;3.4014,8.6058,9.1875;2.7763,6.7599,6.7491;5.3963,8.1907,9.1961;2.5003,6.9999,8.6799;7.1307,7.1372,9.0054;6.0507,9.7888,9.6878;4.4454,5.5816,10.7356;2.5609,5.7868,10.2243;/R:/0/N:2,4,9,7,17,11,19,5,13,1,16,12,6,10,18,8,15,3,14/E:(1,2,3,4)(6,7,8,9)(10,11,12,13)(15,16,17,18)/CRV:1.1,2.1,3.1,4.1,5.1,14.5,19.6 4 4 -6.56096832 0.10922895 0.00100000 F 0.03090430 0.00066667 F 0.10922895 0.03090430 0.03835915 0.01000000 F 0.01657555 0.00666667 F Cartesian 1128.7311 AuxInfo=1/0/N:1;2;4;5;6;7;9;10;11;12;13;16;17;19;3;8;14;15;18/rA:19nOO1TaO1OOO1TaO1O5OOOTaTaOO1TaO/rB:;;;s3;s3;s3;s4s5;;s3s8;s8;;s3;s1s6s10s12;s9s10s12s13;s8s14;s14;s1s2s10s11;s15s18;/rC:5.1469,7.3271,11.0416;4.2326,4.8306,12.3927;4.7096,6.7977,6.3855;8.2223,4.4355,8.3087;6.1202,5.4244,6.5738;5.3873,8.4215,7.157;4.7142,7.0351,4.6069;6.6823,5.3435,8.4712;.7096,7.3941,8.6805;4.5696,6.1672,8.5755;5.91,4.4449,10.0569;3.3868,8.6099,9.1883;2.7643,6.744,6.7395;5.4093,8.2219,9.2058;2.4619,7.0048,8.679;7.1443,7.1303,9.0043;6.0611,9.8144,9.6957;4.4393,5.5621,10.7668;2.5484,5.768,10.2224;/R:/0/N:2,4,9,7,17,11,19,5,13,1,16,12,6,10,18,8,15,3,14/E:(1,2,3,4)(6,7,8,9)(10,11,12,13)(15,16,17,18)/CRV:1.1,2.1,3.1,4.1,5.1,14.5,19.6 5 5 -6.57116382 0.05528598 0.00100000 F 0.01655438 0.00066667 F 0.05528598 0.01655438 0.02408118 0.01000000 F 0.01048493 0.00666667 F Cartesian 1128.7311 AuxInfo=1/0/N:1;2;4;5;6;7;9;10;11;12;13;16;17;19;3;8;14;15;18/rA:19nOO1TaO1OOO1TaO1O5OOOTaTaOO1TaO/rB:;;;s3;s3;s3;s4s5;;s3s8;s8;;s3;s1s6s10s12;s9s10s12s13;s8s14;s14;s1s2s10s11;s15s18;/rC:5.142,7.3146,11.0381;4.2356,4.8364,12.4125;4.7079,6.7967,6.3626;8.245,4.4411,8.312;6.1128,5.421,6.579;5.3823,8.4095,7.1528;4.719,7.0488,4.5933;6.7012,5.3287,8.4681;.6971,7.4135,8.6853;4.5755,6.1818,8.5795;5.9026,4.4442,10.0491;3.3818,8.5984,9.1852;2.7677,6.7361,6.7442;5.4174,8.2415,9.2118;2.4378,7.0071,8.6783;7.1399,7.1186,9.0008;6.0663,9.8272,9.6996;4.4352,5.549,10.7855;2.5526,5.7628,10.2142;/R:/0/N:2,4,9,7,17,11,19,5,13,1,16,12,6,10,18,8,15,3,14/E:(1,2,3,4)(6,7,8,9)(10,11,12,13)(15,16,17,18)/CRV:1.1,2.1,3.1,4.1,5.1,14.5,19.6 6 6 -6.57534173 0.01488138 0.00100000 F 0.00639018 0.00066667 F 0.01488138 0.00639018 0.01101941 0.01000000 F 0.00468095 0.00666667 T Cartesian 1128.7311 AuxInfo=1/0/N:1;2;4;5;6;7;9;10;11;12;13;16;17;19;3;8;14;15;18/rA:19nOO1TaO1OOO1TaO1O5OOOTaTaOO1TaO/rB:;;;s3;s3;s3;s4s5;;s3s8;s8;;s3;s1s6s10s12;s9s10s12s13;s8s14;s14;s1s2s10s11;s15s18;/rC:5.1387,7.3072,11.0292;4.2371,4.8398,12.4179;4.7072,6.7952,6.3589;8.2518,4.4452,8.3136;6.1085,5.4252,6.5864;5.3782,8.3989,7.156;4.721,7.054,4.5908;6.7038,5.3254,8.4673;.695,7.4209,8.6873;4.5776,6.1868,8.581;5.8986,4.4514,10.0442;3.384,8.5874,9.1825;2.7744,6.7361,6.7511;5.4185,8.2442,9.2126;2.4336,7.0065,8.6779;7.1306,7.1122,8.9985;6.067,9.829,9.7001;4.434,5.5458,10.7878;2.5601,5.7657,10.2088;/R:/0/N:2,4,9,7,17,11,19,5,13,1,16,12,6,10,18,8,15,3,14/E:(1,2,3,4)(6,7,8,9)(10,11,12,13)(15,16,17,18)/CRV:1.1,2.1,3.1,4.1,5.1,14.5,19.6 7 7 -6.57656135 0.00773044 0.00100000 F 0.00336364 0.00066667 F 0.00773044 0.00336364 0.01465572 0.01000000 F 0.00613238 0.00666667 T Cartesian 1128.7311 AuxInfo=1/0/N:1;2;4;5;6;7;9;10;11;12;13;16;17;19;3;8;14;15;18/rA:19nOO1TaO1OOO1TaO1O5OOOTaTaOO1TaO/rB:;;;s3;s3;s3;s4s5;;s3s8;s8;;s3;s1s6s10s12;s9s10s12s13;s8s14;s14;s1s2s10s11;s15s18;/rC:5.1346,7.2981,11.016;4.2396,4.8452,12.4253;4.7058,6.7921,6.356;8.2615,4.4518,8.3161;6.1037,5.4304,6.5954;5.3727,8.3847,7.1618;4.724,7.0614,4.5877;6.7053,5.3214,8.4663;.6926,7.4322,8.6902;4.58,6.1928,8.5827;5.8941,4.4602,10.0384;3.3886,8.5727,9.1789;2.7822,6.7368,6.7595;5.419,8.2456,9.2129;2.4298,7.0046,8.6772;7.117,7.1047,8.9956;6.068,9.8316,9.7007;4.4324,5.5414,10.7887;2.5689,5.7693,10.2024;/R:/0/N:2,4,9,7,17,11,19,5,13,1,16,12,6,10,18,8,15,3,14/E:(1,2,3,4)(6,7,8,9)(10,11,12,13)(15,16,17,18)/CRV:1.1,2.1,3.1,4.1,5.1,14.5,19.6 8 8 -6.57718300 0.00313943 0.00100000 F 0.00136453 0.00066667 F 0.00313943 0.00136453 0.00329532 0.01000000 T 0.00099309 0.00666667 T Cartesian 1128.7311 AuxInfo=1/0/N:1;2;4;5;6;7;9;10;11;12;13;16;17;19;3;8;14;15;18/rA:19nOO1TaO1OOO1TaO1O5OOOTaTaOO1TaO/rB:;;;s3;s3;s3;s4s5;;s3s8;s8;;s3;s1s6s10s12;s9s10s12s13;s8s14;s14;s1s2s10s11;s15s18;/rC:5.1343,7.2974,11.0143;4.2403,4.8469,12.427;4.7053,6.7908,6.3557;8.264,4.454,8.317;6.1039,5.4298,6.595;5.3722,8.3834,7.1628;4.7248,7.0634,4.5873;6.7051,5.3203,8.466;.6924,7.4355,8.6912;4.5803,6.1935,8.5828;5.894,4.4593,10.0382;3.3895,8.5715,9.1787;2.7816,6.7366,6.7592;5.4189,8.2453,9.2128;2.4291,7.0037,8.677;7.1154,7.1044,8.9955;6.0682,9.8323,9.7009;4.4319,5.5401,10.7883;2.5683,5.7687,10.2023;/R:/0/N:2,4,9,7,17,11,19,5,13,1,16,12,6,10,18,8,15,3,14/E:(1,2,3,4)(6,7,8,9)(10,11,12,13)(15,16,17,18)/CRV:1.1,2.1,3.1,4.1,5.1,14.5,19.6 9 9 -6.57722472 0.00236098 0.00100000 F 0.00092200 0.00066667 F 0.00236098 0.00092200 0.00817090 0.01000000 T 0.00238840 0.00666667 T Cartesian 1128.7311 AuxInfo=1/0/N:1;2;4;5;6;7;9;10;11;12;13;16;17;19;3;8;14;15;18/rA:19nOO1TaO1OOO1TaO1O5OOOTaTaOO1TaO/rB:;;;s3;s3;s3;s4s5;;s3s8;s8;;s3;s1s6s10s12;s9s10s12s13;s8s14;s14;s1s2s10s11;s15s18;/rC:5.1338,7.2958,11.0114;4.2424,4.8517,12.4299;4.7041,6.7876,6.3556;8.2693,4.4604,8.3194;6.105,5.4275,6.5934;5.3711,8.3809,7.1642;4.7269,7.0682,4.5877;6.7044,5.3181,8.4653;.6931,7.4436,8.6936;4.5809,6.1951,8.5831;5.8942,4.456,10.0382;3.391,8.5694,9.1784;2.7792,6.736,6.7578;5.4184,8.2441,9.2124;2.428,7.0016,8.6764;7.1128,7.104,8.9952;6.0685,9.8331,9.7009;4.4307,5.5372,10.7867;2.566,5.7665,10.2025;/R:/0/N:2,4,9,7,17,11,19,5,13,1,16,12,6,10,18,8,15,3,14/E:(1,2,3,4)(6,7,8,9)(10,11,12,13)(15,16,17,18)/CRV:1.1,2.1,3.1,4.1,5.1,14.5,19.6 10 10 -6.57728114 0.00106012 0.00100000 F 0.00043885 0.00066667 T 0.00106012 0.00043885 0.00340505 0.01000000 T 0.00100884 0.00666667 T Cartesian 1128.7311 AuxInfo=1/0/N:1;2;4;5;6;7;9;10;11;12;13;16;17;19;3;8;14;15;18/rA:19nOO1TaO1OOO1TaO1O5OOOTaTaOO1TaO/rB:;;;s3;s3;s3;s4s5;;s3s8;s8;;s3;s1s6s10s12;s9s10s12s13;s8s14;s14;s1s2s10s11;s15s18;/rC:5.1334,7.2948,11.011;4.2433,4.8542,12.4299;4.7036,6.7864,6.3561;8.2706,4.4639,8.3206;6.1052,5.4264,6.5929;5.3707,8.38,7.1638;4.7277,7.0698,4.5891;6.704,5.3176,8.4651;.6945,7.447,8.6947;4.5812,6.1959,8.5832;5.8941,4.4546,10.0378;3.3908,8.5687,9.1783;2.7783,6.7355,6.7574;5.4182,8.2437,9.2122;2.428,7.001,8.6762;7.1125,7.1034,8.995;6.0682,9.8324,9.7006;4.4303,5.5363,10.7857;2.5651,5.7655,10.2022;/R:/0/N:2,4,9,7,17,11,19,5,13,1,16,12,6,10,18,8,15,3,14/E:(1,2,3,4)(6,7,8,9)(10,11,12,13)(15,16,17,18)/CRV:1.1,2.1,3.1,4.1,5.1,14.5,19.6 11 11 CONVERGED -6.57729082 0.00071273 0.00100000 T 0.00026870 0.00066667 T 0.00071273 0.00026870 0.00248206 0.01000000 T 0.00074315 0.00666667 T NOSYM -3 O O Ta O O O O Ta O O O O O Ta Ta O O Ta O 15.99491400 15.99491400 180.94799600 15.99491400 15.99491400 15.99491400 15.99491400 180.94799600 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 180.94799600 180.94799600 15.99491400 15.99491400 180.94799600 15.99491400 6655.58 440.29 7148.59 1.207441 47.162 109.578 116.776 117.696 122.981 140.773 141.063 147.106 162.097 162.750 167.405 167.767 169.367 169.751 175.346 176.856 187.243 187.669 189.995 201.130 213.112 213.617 214.207 215.902 259.096 259.516 323.935 361.446 407.195 408.782 441.723 461.648 462.833 532.945 538.277 543.844 550.947 567.702 568.439 590.532 590.589 598.763 685.443 685.538 718.316 726.005 847.177 849.392 851.836 852.344 875.717 O O Ta O O O O Ta O O O O O Ta Ta O O Ta O 0.037 0.089 0.037 0.107 0.236 0.300 0.061 0.174 -0.156 -0.323 -0.216 -0.078 -0.093 0.073 -0.101 0.036 0.093 0.020 0.132 0.355 -0.120 -0.233 -0.047 -0.027 0.080 -0.378 -0.100 -0.001 -0.003 0.000 -0.108 0.010 0.111 -0.027 -0.096 -0.028 0.110 -0.008 -0.110 0.000 -0.001 -0.000 0.135 -0.192 -0.045 -0.047 -0.088 -0.027 0.001 -0.001 -0.001 0.037 0.066 0.228 0.095 -0.068 0.101 0.079 0.200 0.006 0.131 0.324 -0.071 0.068 0.137 0.239 0.039 -0.336 -0.085 0.003 -0.004 0.000 0.075 0.183 0.101 0.110 0.224 0.250 0.088 -0.255 -0.067 -0.265 -0.229 -0.076 -0.004 0.001 -0.007 -0.012 -0.012 -0.011 -0.120 -0.168 -0.057 -0.000 0.010 -0.001 -0.003 0.008 -0.004 -0.240 -0.120 -0.048 -0.044 -0.206 -0.063 -0.001 0.006 -0.002 0.087 0.231 -0.118 0.002 -0.001 0.001 -0.018 -0.011 -0.042 -0.256 0.140 0.036 -0.063 0.046 0.022 -0.148 -0.170 0.009 0.207 0.329 -0.045 0.001 0.043 -0.023 -0.288 0.071 0.022 0.005 0.113 0.046 -0.001 0.189 0.109 0.164 -0.053 -0.042 0.090 0.167 0.176 0.110 -0.209 -0.050 -0.077 -0.258 0.052 0.208 -0.066 -0.050 -0.081 -0.097 -0.018 0.225 0.073 0.035 0.171 -0.053 -0.041 -0.080 0.008 0.003 -0.055 -0.305 -0.236 0.046 0.097 0.217 -0.115 -0.126 -0.127 -0.054 -0.087 -0.069 -0.011 0.047 -0.294 -0.209 -0.177 -0.039 -0.064 -0.192 0.133 0.025 0.218 -0.014 0.005 0.041 -0.066 0.015 0.118 -0.270 0.021 -0.061 0.170 0.254 0.241 0.156 0.022 -0.041 -0.023 -0.002 -0.384 -0.035 0.028 -0.075 0.214 -0.015 -0.000 -0.080 0.045 0.015 -0.000 0.020 -0.059 0.173 0.033 0.126 -0.011 -0.029 0.251 0.091 -0.005 -0.027 0.080 0.041 0.082 0.216 0.030 0.098 -0.156 0.226 0.050 0.034 0.198 0.256 -0.010 0.000 0.015 -0.080 0.056 0.193 -0.139 0.188 -0.018 0.008 -0.126 0.207 0.047 -0.013 -0.044 -0.010 0.177 0.197 0.156 -0.080 0.016 -0.000 0.028 0.291 0.002 -0.118 -0.300 -0.090 -0.152 0.111 0.023 0.080 -0.039 -0.002 -0.117 -0.292 -0.088 0.010 0.006 0.182 0.016 0.262 0.164 -0.011 -0.095 -0.072 0.137 0.198 0.334 0.026 -0.028 0.227 -0.030 0.053 -0.290 0.029 -0.086 -0.121 0.064 0.098 -0.015 -0.090 -0.366 0.156 -0.014 0.069 -0.176 0.005 0.140 -0.266 0.030 0.037 -0.165 -0.004 0.108 -0.053 0.013 0.039 -0.195 -0.063 -0.031 -0.099 -0.000 -0.001 -0.009 -0.017 0.057 -0.181 0.024 0.066 -0.189 -0.063 -0.067 0.289 -0.007 -0.114 0.205 0.104 0.096 -0.064 -0.193 0.063 0.002 -0.272 0.140 0.058 -0.167 0.063 0.037 0.358 0.210 0.026 -0.053 0.076 0.061 -0.180 0.086 0.007 -0.280 0.057 0.033 0.189 -0.119 -0.049 0.118 -0.381 -0.129 -0.148 0.066 -0.013 -0.035 0.147 -0.019 -0.003 0.122 0.011 -0.116 -0.029 -0.082 -0.011 0.003 0.001 0.225 -0.028 -0.019 -0.082 -0.071 -0.056 0.277 -0.122 0.022 -0.173 0.054 0.036 -0.100 -0.059 0.011 -0.059 0.022 0.003 -0.290 0.118 0.017 0.013 -0.003 -0.001 0.018 0.092 -0.308 -0.266 -0.276 0.060 0.068 -0.025 -0.004 0.305 -0.113 -0.014 -0.001 0.007 -0.010 -0.023 -0.083 0.308 0.002 0.003 0.002 0.238 0.188 0.214 -0.005 -0.022 0.063 -0.008 0.374 -0.044 0.003 -0.004 -0.002 -0.006 -0.004 0.012 0.008 0.021 -0.065 -0.001 -0.002 -0.002 -0.010 0.004 0.001 0.026 -0.296 -0.230 -0.050 0.043 0.000 -0.111 0.271 0.066 0.014 -0.017 -0.031 -0.159 -0.428 -0.024 0.186 0.168 -0.071 -0.071 0.008 -0.009 -0.240 -0.110 -0.051 0.041 -0.052 -0.026 0.176 0.403 0.237 0.071 -0.020 -0.041 0.044 0.042 0.074 0.032 0.013 0.047 -0.009 -0.076 0.031 -0.109 0.028 0.058 0.069 0.010 -0.003 -0.002 -0.050 0.012 -0.359 0.094 0.176 0.025 0.017 -0.022 0.037 -0.199 -0.186 0.039 0.031 -0.008 0.243 0.364 0.108 -0.016 -0.012 -0.064 0.053 0.121 0.243 0.092 0.059 -0.009 0.020 -0.039 -0.032 -0.101 -0.459 -0.141 -0.018 0.031 -0.013 -0.106 -0.283 0.126 -0.026 0.035 -0.073 -0.179 -0.103 -0.154 -0.022 -0.022 0.055 -0.033 0.257 -0.042 0.041 -0.049 0.106 -0.031 0.006 -0.023 -0.004 0.000 0.074 0.145 -0.164 0.342 0.010 0.049 -0.044 0.035 -0.079 -0.052 -0.002 0.035 0.067 -0.206 -0.401 -0.177 0.050 0.015 -0.003 -0.237 -0.435 -0.135 0.048 0.049 -0.011 0.027 0.053 -0.036 -0.170 -0.398 -0.072 0.029 0.035 -0.029 -0.129 -0.456 -0.127 0.031 0.054 0.018 -0.007 0.101 -0.015 -0.038 0.069 0.040 0.071 0.007 0.072 -0.011 -0.008 -0.005 -0.001 0.033 0.046 0.075 0.031 -0.018 -0.007 -0.009 -0.022 -0.019 0.036 0.026 0.007 0.042 0.018 -0.127 0.029 -0.032 0.073 0.218 0.091 0.218 -0.100 -0.012 0.110 0.214 -0.017 0.203 -0.084 -0.252 0.119 -0.073 0.010 0.148 0.144 0.026 0.004 0.056 -0.235 0.057 0.203 0.084 -0.021 -0.029 -0.004 -0.200 0.148 -0.216 0.010 -0.069 0.101 0.206 -0.134 0.211 0.009 0.004 -0.000 -0.016 -0.089 0.235 -0.024 0.025 -0.119 -0.008 0.001 0.039 -0.238 0.077 -0.003 -0.280 -0.010 0.262 0.014 -0.067 -0.074 0.227 0.123 0.038 -0.018 0.079 -0.029 -0.027 -0.033 -0.343 -0.259 -0.112 0.154 0.043 0.095 -0.042 0.045 -0.318 -0.088 0.028 -0.009 0.081 0.066 0.190 -0.305 -0.041 0.002 0.088 0.090 -0.001 0.053 0.016 -0.036 -0.051 0.055 -0.085 0.020 0.033 0.004 -0.061 0.010 -0.050 0.056 0.049 0.041 -0.049 -0.255 -0.040 0.462 -0.043 -0.017 -0.054 -0.131 0.155 0.218 0.052 0.015 0.039 0.287 -0.251 -0.052 -0.082 -0.001 0.018 -0.092 -0.265 0.115 -0.069 -0.055 0.071 0.037 -0.065 0.014 0.356 -0.028 0.018 0.066 0.039 -0.023 0.072 0.127 0.232 -0.082 0.047 -0.039 -0.222 -0.013 -0.230 0.023 -0.096 -0.010 -0.108 0.271 -0.143 0.059 -0.033 0.027 0.027 -0.051 -0.052 0.085 0.044 0.050 -0.402 0.224 -0.195 -0.062 0.045 0.033 -0.027 0.044 0.101 -0.406 0.158 0.016 0.219 -0.085 -0.011 0.008 -0.001 -0.000 0.008 0.053 -0.246 -0.024 0.020 -0.023 0.408 -0.157 -0.020 -0.234 0.080 0.009 0.000 -0.004 0.010 -0.014 -0.067 0.217 0.001 -0.003 0.001 0.035 0.001 -0.018 0.026 0.120 -0.418 -0.023 -0.002 0.030 -0.001 0.002 -0.003 0.001 0.003 -0.005 -0.024 -0.119 0.419 -0.009 0.001 0.011 -0.007 0.001 -0.001 0.021 -0.014 0.026 0.020 0.054 0.110 -0.176 -0.436 -0.187 0.029 0.069 0.000 0.212 0.391 0.124 -0.005 0.018 -0.017 0.033 0.094 -0.059 -0.181 -0.456 -0.086 -0.045 -0.054 -0.021 0.117 0.412 0.137 0.001 0.005 -0.002 -0.025 0.002 0.009 0.046 -0.098 -0.021 0.017 0.007 -0.016 -0.001 -0.002 0.003 -0.008 -0.069 -0.022 -0.106 -0.041 -0.010 0.023 -0.002 -0.028 0.025 0.061 0.043 0.019 -0.014 0.009 0.140 -0.052 -0.016 -0.334 0.014 -0.025 0.004 -0.017 -0.001 0.118 0.210 0.184 0.001 -0.055 -0.043 0.133 -0.051 -0.014 -0.240 0.203 0.033 -0.024 -0.027 -0.014 -0.083 -0.270 0.049 0.009 -0.015 -0.010 -0.007 -0.034 0.003 0.029 0.001 -0.055 0.014 0.031 0.016 0.078 -0.017 -0.032 0.000 0.033 0.006 0.021 0.005 -0.056 -0.651 0.184 0.282 0.013 0.007 0.009 0.042 0.079 0.013 0.055 -0.028 0.020 -0.012 0.276 0.100 0.015 0.032 -0.001 0.058 0.159 -0.265 0.005 0.035 0.014 0.050 -0.028 0.022 -0.201 -0.202 -0.047 -0.008 -0.012 0.006 -0.012 -0.014 -0.319 0.003 -0.005 0.011 -0.016 -0.079 -0.011 0.000 -0.044 0.140 0.041 0.061 0.032 0.024 -0.032 0.075 -0.000 0.011 0.012 0.003 -0.042 0.139 -0.214 0.288 -0.651 -0.009 -0.029 -0.019 -0.022 -0.026 -0.004 0.019 0.032 0.089 0.029 0.063 -0.038 0.020 0.036 0.062 -0.029 0.070 0.048 -0.299 -0.271 0.095 0.036 0.068 -0.057 -0.016 0.052 0.070 -0.026 0.069 0.015 0.068 0.019 0.007 0.156 0.380 0.115 -0.276 -0.159 -0.255 -0.048 0.081 0.018 0.049 -0.390 0.086 -0.064 -0.164 -0.049 0.066 0.034 0.014 0.093 0.024 0.014 -0.080 -0.135 -0.042 0.024 0.065 -0.031 0.069 -0.301 -0.275 -0.072 0.027 0.002 0.344 -0.138 -0.014 0.013 -0.005 -0.004 -0.015 -0.097 0.370 -0.175 -0.255 -0.011 0.076 -0.032 -0.004 -0.367 0.144 0.014 0.002 -0.000 -0.013 0.017 0.099 -0.363 -0.001 -0.004 -0.002 0.173 0.217 0.150 -0.004 -0.024 0.078 0.045 0.314 0.014 0.003 0.006 0.002 -0.005 -0.003 0.011 0.002 0.021 -0.082 -0.002 0.008 0.002 -0.012 0.002 0.004 -0.037 -0.267 -0.152 -0.249 0.108 0.040 0.283 -0.194 -0.061 -0.026 -0.042 0.016 0.049 0.180 -0.190 0.285 0.300 -0.065 -0.281 0.082 0.044 0.309 -0.032 0.023 -0.056 -0.045 -0.003 -0.012 -0.066 -0.233 0.044 -0.057 -0.061 0.059 0.061 0.085 -0.038 -0.021 0.208 -0.014 -0.025 0.017 0.041 -0.028 -0.040 0.023 0.062 0.025 -0.067 -0.052 0.172 -0.214 0.016 0.141 0.003 0.051 0.010 0.018 -0.273 -0.217 -0.177 0.057 -0.036 0.279 0.015 0.041 0.024 0.064 -0.011 0.033 0.003 0.286 -0.074 -0.058 0.003 -0.196 0.116 -0.031 0.123 -0.175 -0.048 -0.020 -0.042 -0.019 -0.060 -0.168 0.311 0.053 -0.004 0.073 0.228 0.181 0.206 -0.011 0.100 -0.251 0.016 -0.412 0.045 0.035 -0.014 0.050 -0.006 0.053 -0.006 -0.014 0.078 -0.298 -0.119 0.126 -0.188 -0.038 -0.053 -0.025 -0.017 0.041 0.006 -0.020 -0.003 0.075 0.005 -0.093 0.120 -0.009 -0.009 -0.136 0.139 -0.023 -0.109 -0.173 -0.173 0.050 -0.032 0.022 -0.045 0.049 0.054 -0.131 0.110 -0.082 -0.012 -0.137 0.047 -0.065 0.172 0.404 0.104 -0.267 -0.197 -0.234 -0.065 0.007 0.085 0.011 -0.316 0.047 0.066 0.149 0.031 -0.136 0.030 0.001 0.049 -0.042 0.076 0.047 0.169 0.114 -0.014 -0.046 0.132 0.041 -0.333 -0.270 -0.258 0.100 0.011 -0.357 0.145 0.022 -0.076 0.035 0.002 -0.016 -0.104 0.430 -0.026 0.022 -0.028 0.202 -0.076 -0.013 0.421 -0.174 -0.025 0.002 0.015 -0.080 0.018 0.099 -0.394 0.009 0.003 0.005 0.050 0.014 -0.009 0.011 0.075 -0.249 -0.028 -0.038 0.034 0.006 -0.000 0.002 -0.006 -0.014 0.079 -0.019 -0.064 0.221 -0.018 0.013 -0.008 0.073 -0.033 -0.004 0.026 -0.033 0.013 -0.539 0.196 0.030 -0.166 0.078 0.015 0.040 -0.013 -0.001 -0.045 -0.070 0.010 -0.107 -0.228 0.035 -0.530 0.220 0.038 -0.175 0.057 0.008 0.007 0.019 -0.002 0.011 0.066 0.052 0.047 -0.017 -0.013 -0.040 -0.126 -0.146 -0.080 -0.079 0.079 0.081 0.169 -0.054 0.056 -0.019 -0.013 -0.007 -0.015 -0.012 -0.024 0.058 0.126 -0.018 0.006 0.004 0.038 -0.018 -0.003 0.063 0.188 0.164 -0.065 0.120 -0.022 -0.059 -0.052 -0.035 -0.001 -0.020 -0.005 0.003 0.038 -0.181 0.154 0.103 0.058 -0.116 -0.019 -0.065 -0.001 0.084 0.007 -0.001 -0.008 0.041 0.013 0.063 -0.174 0.005 -0.016 0.049 -0.184 -0.170 -0.081 0.021 0.146 -0.554 -0.009 0.255 0.050 0.006 -0.020 0.056 -0.004 -0.015 0.039 0.032 0.170 -0.545 -0.001 0.005 -0.017 0.015 0.014 0.005 0.034 -0.189 -0.034 -0.455 0.179 0.021 -0.015 0.006 0.001 -0.022 0.009 0.001 0.001 0.004 -0.015 0.048 0.083 0.012 0.454 -0.179 -0.021 0.014 -0.007 -0.001 -0.001 -0.006 0.023 -0.001 -0.004 0.015 0.001 0.001 -0.000 -0.048 -0.077 -0.040 -0.030 -0.133 0.472 -0.023 -0.095 -0.014 0.000 -0.000 -0.000 0.001 0.006 -0.023 0.030 0.132 -0.469 -0.000 0.000 -0.000 0.022 -0.009 -0.001 0.022 0.088 0.041 -0.004 -0.025 0.123 0.011 0.031 -0.014 -0.016 -0.042 0.010 -0.011 0.032 0.009 0.140 0.179 -0.007 0.011 0.043 -0.116 0.009 0.019 0.030 -0.036 -0.028 -0.010 0.031 0.015 0.006 0.307 0.753 0.231 0.133 0.146 0.116 -0.110 0.055 0.008 0.020 0.228 -0.001 -0.002 -0.004 -0.001 0.006 -0.044 -0.012 0.119 -0.034 -0.002 0.016 0.040 0.012 -0.013 -0.030 -0.033 0.013 0.192 0.121 -0.004 0.024 -0.310 -0.021 -0.039 -0.089 0.000 -0.001 -0.002 0.002 0.016 -0.058 0.073 -0.197 -0.065 0.043 0.141 -0.278 0.028 0.080 -0.052 -0.003 -0.012 0.044 0.003 0.018 -0.058 0.034 0.209 -0.725 -0.070 0.211 0.036 -0.004 -0.003 0.020 -0.195 -0.095 -0.059 -0.003 -0.016 0.056 -0.003 -0.013 0.045 -0.006 -0.005 0.020 0.001 0.002 -0.008 0.001 0.002 -0.001 0.195 0.100 0.023 0.021 -0.011 0.009 -0.056 0.024 0.004 0.042 -0.016 -0.002 -0.093 -0.035 -0.016 0.039 0.117 0.191 0.022 -0.010 -0.001 -0.057 0.022 0.003 -0.000 0.002 0.000 -0.044 0.086 0.023 -0.693 0.271 0.044 0.056 0.193 -0.095 -0.263 0.170 0.031 -0.065 -0.103 -0.185 0.054 -0.021 -0.004 -0.001 -0.001 -0.001 -0.322 0.060 -0.004 -0.007 0.003 0.001 0.043 -0.017 -0.002 -0.091 -0.184 0.093 -0.025 -0.121 0.476 0.027 0.064 0.025 -0.003 -0.005 0.002 -0.031 -0.063 -0.020 0.059 -0.045 0.059 0.037 0.145 -0.455 0.027 0.065 0.014 0.006 0.003 0.001 -0.020 -0.068 -0.020 0.010 -0.005 -0.002 0.065 -0.008 -0.068 0.447 -0.191 -0.027 -0.064 0.007 0.068 -0.000 0.000 -0.000 -0.002 0.006 0.002 -0.456 0.163 0.016 0.000 0.000 -0.001 -0.002 -0.003 -0.005 -0.056 0.046 -0.064 0.065 0.227 -0.538 -0.030 -0.077 -0.003 -0.001 -0.001 0.010 -0.001 -0.002 0.001 0.011 0.027 0.160 0.009 0.091 -0.589 0.028 0.067 0.041 0.002 0.009 -0.033 -0.000 -0.001 0.002 -0.020 -0.102 0.364 -0.023 -0.108 0.118 -0.008 -0.036 0.122 0.030 0.021 0.158 -0.002 -0.011 0.038 0.002 0.009 -0.033 -0.017 -0.031 0.123 -0.001 -0.007 0.025 -0.001 -0.004 0.009 -0.046 -0.098 0.118 0.117 -0.047 -0.004 0.003 -0.001 0.000 -0.032 0.013 0.002 -0.010 -0.078 -0.023 0.105 -0.114 -0.041 0.117 -0.048 0.001 0.003 -0.002 -0.001 0.009 -0.004 -0.000 0.047 0.065 0.021 0.364 -0.142 -0.021 0.105 -0.121 -0.015 -0.571 0.147 0.005 0.160 0.011 0.028 0.036 -0.014 -0.002 0.010 -0.003 0.000 -0.513 0.278 0.045 0.024 -0.009 -0.001 -0.033 0.013 0.002 0.165 0.020 -0.002 -0.039 -0.049 -0.385 -0.012 -0.036 0.040 0.001 0.002 0.002 0.035 -0.040 -0.010 -0.109 0.152 0.210 -0.084 -0.248 0.296 -0.006 -0.010 -0.054 0.000 0.003 0.001 -0.055 -0.005 -0.005 0.059 0.155 0.048 -0.094 0.247 -0.111 0.270 -0.281 -0.062 0.205 0.030 0.202 -0.007 -0.017 -0.006 0.002 0.002 0.001 -0.391 -0.026 -0.031 0.035 0.085 0.027 0.000 0.002 -0.001 0.230 0.124 -0.131 0.018 -0.009 -0.009 -0.051 0.019 0.001 0.036 -0.014 -0.002 -0.005 -0.014 0.049 -0.290 0.205 -0.352 -0.021 0.006 0.001 0.052 -0.021 -0.002 -0.002 -0.011 0.043 0.002 0.014 -0.049 -0.007 0.009 0.001 0.342 -0.025 -0.358 0.004 -0.006 0.019 -0.328 0.035 0.368 0.000 -0.001 0.000 0.003 0.012 -0.042 -0.006 0.004 -0.021 -0.000 0.001 -0.000 -0.036 0.015 0.003 0.278 -0.233 0.330 0.025 0.033 0.252 0.012 0.028 0.045 -0.012 -0.027 0.001 0.046 0.025 0.009 -0.159 0.198 0.284 0.053 0.159 -0.193 0.020 0.045 -0.021 -0.019 -0.024 -0.006 -0.018 0.050 0.013 -0.110 -0.237 -0.068 -0.131 0.342 -0.177 -0.173 0.184 0.042 0.288 0.028 0.299 0.007 0.016 0.005 -0.002 -0.030 -0.011 0.263 0.018 0.021 -0.015 -0.038 -0.012 -0.010 -0.023 -0.017 0.321 0.153 -0.183 -0.002 -0.005 -0.005 -0.049 0.019 -0.001 -0.054 0.021 0.003 0.004 0.014 -0.053 0.220 -0.253 -0.347 -0.000 -0.001 0.006 0.047 -0.018 -0.004 -0.003 -0.014 0.051 -0.002 -0.018 0.056 0.013 0.006 -0.015 -0.188 0.400 -0.186 0.001 -0.003 -0.004 0.369 0.023 0.321 -0.000 -0.000 0.000 0.003 0.016 -0.052 -0.006 0.001 0.002 0.000 0.001 -0.000 0.056 -0.020 -0.002 -0.429 -0.185 0.234 -0.027 -0.062 0.055 0.011 -0.002 -0.064 -0.021 -0.017 0.002 -0.024 -0.007 0.036 -0.080 0.098 0.256 0.010 0.029 0.083 0.020 0.026 -0.056 0.008 0.018 -0.040 -0.020 0.003 0.037 -0.117 0.179 -0.427 0.179 -0.443 0.275 0.029 0.012 -0.010 0.354 0.009 0.395 0.001 -0.001 0.002 0.002 0.003 -0.042 0.013 -0.024 -0.021 -0.002 0.002 -0.005 -0.007 0.023 0.014 -0.158 -0.120 0.174 0.006 -0.029 0.017 -0.035 0.015 -0.019 0.037 -0.024 -0.002 0.065 -0.013 0.016 -0.272 0.281 0.404 0.019 0.003 0.026 -0.032 0.025 -0.018 -0.016 -0.015 -0.021 0.051 -0.039 0.003 0.431 -0.128 -0.170 -0.138 0.218 -0.077 -0.084 -0.027 -0.017 -0.243 0.001 -0.132 -0.003 0.001 0.001 0.002 0.027 -0.007 -0.035 0.084 0.016 0.006 -0.002 -0.002 0.039 -0.009 0.002 -0.421 -0.170 0.247 0.076 0.272 0.174 0.022 0.001 0.000 0.030 0.028 0.002 -0.001 -0.005 -0.019 -0.050 -0.034 -0.056 -0.158 -0.299 -0.006 0.016 -0.015 -0.004 0.026 0.040 -0.001 0.008 0.013 -0.013 0.057 -0.011 -0.044 -0.310 0.030 0.305 0.045 0.403 0.146 -0.310 0.036 0.311 0.027 -0.004 -0.023 -0.008 -0.041 -0.026 -0.245 -0.325 -0.077 -0.046 0.006 0.037 0.004 -0.037 -0.017 -0.013 0.081 -0.022 -0.168 -0.319 -0.217 0.012 -0.016 -0.002 -0.004 -0.050 -0.005 -0.002 -0.014 0.018 -0.273 0.211 -0.269 0.130 0.409 0.008 0.018 0.004 0.004 0.019 0.025 0.025 0.004 0.001 0.023 0.040 -0.032 0.049 0.011 -0.062 -0.044 0.037 0.323 0.055 0.069 0.050 -0.020 0.019 -0.016 0.026 -0.008 -0.039 0.007 -0.194 -0.248 -0.120 -0.031 0.026 -0.043 0.029 0.033 0.021 -0.274 0.190 -0.283 0.161 0.389 0.154 0.004 0.011 -0.004 -0.016 -0.042 -0.006 0.004 -0.010 -0.003 -0.150 0.110 -0.152 0.158 0.389 0.090 0.003 0.006 0.010 0.022 0.038 0.012 -0.009 -0.005 -0.003 0.002 -0.002 -0.002 -0.175 0.023 0.174 -0.136 -0.390 -0.118 0.163 -0.016 -0.168 0.000 0.000 -0.001 0.010 0.043 0.012 -0.179 -0.375 -0.116 -0.001 -0.001 0.001 -0.016 -0.040 -0.019 0.151 -0.110 0.159 -0.029 -0.066 -0.004 -0.020 -0.007 0.032 -0.025 0.008 -0.008 0.179 -0.102 -0.021 0.246 -0.154 0.288 0.027 0.067 0.042 -0.016 0.001 0.038 -0.031 0.038 0.004 0.198 -0.045 -0.004 0.134 -0.061 0.018 0.196 0.036 -0.213 0.243 0.342 0.111 0.155 -0.044 -0.227 -0.002 0.001 -0.000 -0.048 -0.004 -0.009 -0.062 -0.418 -0.122 -0.027 0.012 -0.004 -0.022 0.015 -0.005 0.220 -0.206 0.265 -0.161 -0.406 -0.025 -0.020 -0.083 0.185 -0.002 -0.010 -0.048 -0.031 0.023 -0.014 0.180 -0.172 0.141 0.149 0.350 0.210 0.002 -0.029 0.201 0.007 0.001 -0.025 -0.035 0.013 -0.017 -0.033 -0.029 0.141 -0.283 0.066 0.280 -0.046 -0.064 -0.022 -0.310 0.009 0.264 0.001 0.001 -0.002 0.010 0.008 -0.024 0.011 0.071 0.019 0.006 0.006 -0.028 0.015 0.031 -0.035 0.211 -0.090 0.172 -0.090 -0.231 0.021 -0.019 -0.067 0.149 0.000 -0.003 0.035 -0.136 0.079 0.014 -0.246 0.181 -0.256 -0.079 -0.182 -0.148 0.000 0.021 -0.160 0.029 -0.018 -0.003 0.160 -0.036 -0.001 0.001 -0.001 0.000 -0.281 0.029 0.286 0.160 0.169 0.058 0.285 -0.028 -0.291 0.000 0.000 0.000 -0.035 0.007 -0.000 0.001 0.222 0.063 -0.001 -0.002 -0.001 0.004 0.016 -0.032 0.253 -0.186 0.266 0.167 0.434 -0.079 0.010 0.035 -0.086 -0.011 -0.025 -0.024 -0.089 0.048 0.008 0.002 0.001 -0.007 0.145 0.327 0.314 -0.001 -0.016 0.095 0.003 -0.036 -0.010 0.097 -0.025 -0.001 0.005 0.014 0.004 0.000 -0.001 0.008 0.349 0.312 0.110 -0.000 0.003 -0.005 -0.016 -0.039 -0.012 -0.027 -0.024 -0.008 -0.032 0.466 0.129 0.072 0.175 0.054 -0.013 -0.033 0.006 0.000 -0.000 0.007 0.038 0.097 -0.009 -0.047 -0.172 0.420 -0.001 -0.007 0.034 -0.399 0.215 0.036 0.100 -0.074 0.101 0.037 0.085 0.068 0.008 0.082 -0.498 0.028 -0.014 -0.003 0.417 -0.110 -0.005 0.004 0.003 0.007 0.107 -0.010 -0.109 -0.056 -0.066 -0.022 -0.113 0.010 0.110 0.001 0.004 0.001 -0.028 0.008 0.000 -0.006 -0.090 -0.026 -0.020 -0.048 -0.015 0.003 0.011 -0.029 -0.093 0.067 -0.097 0.047 0.125 -0.056 -0.021 -0.078 0.185 -0.003 -0.010 0.012 0.226 -0.124 -0.021 0.003 -0.003 -0.022 0.036 0.076 0.118 0.002 0.030 -0.195 -0.020 0.001 -0.001 -0.261 0.067 0.003 0.034 0.079 0.024 0.001 -0.015 0.017 0.136 0.079 0.030 -0.006 0.000 -0.023 0.022 0.054 0.017 0.016 -0.013 -0.003 -0.043 0.147 0.039 -0.299 -0.730 -0.225 -0.002 -0.002 -0.016 -0.009 -0.011 0.018 -0.053 -0.135 -0.001 0.069 0.253 -0.615 -0.003 -0.011 0.045 -0.060 0.033 0.003 0.085 -0.071 0.052 0.047 0.109 0.073 0.009 0.102 -0.628 0.005 0.000 -0.008 -0.104 0.028 -0.001 0.012 -0.056 0.166 -0.084 0.042 0.057 0.014 0.016 0.011 -0.092 0.002 0.036 -0.001 0.002 -0.006 0.008 -0.000 -0.008 -0.002 -0.016 0.001 0.001 0.004 -0.003 -0.005 -0.015 0.046 0.105 -0.047 0.072 0.011 0.014 0.001 -0.011 -0.030 0.075 -0.007 0.005 -0.006 -0.568 0.308 0.052 0.042 -0.020 0.091 -0.002 -0.018 -0.012 -0.004 -0.014 0.094 0.043 -0.019 -0.002 -0.634 0.165 0.008 0.165 -0.059 -0.031 0.077 0.018 -0.101 0.087 0.109 0.035 0.068 -0.012 -0.112 -0.006 0.001 0.001 0.045 -0.016 -0.001 -0.013 -0.138 -0.040 -0.001 0.008 0.003 -0.007 0.005 -0.005 0.029 -0.061 0.081 -0.019 -0.044 -0.043 0.044 0.161 -0.389 0.001 0.007 -0.038 -0.373 0.203 0.034 -0.022 0.026 0.044 -0.022 -0.058 0.012 -0.006 -0.066 0.412 0.035 -0.017 -0.003 0.411 -0.106 -0.004 0.011 0.026 0.009 -0.020 0.046 -0.025 0.004 -0.061 -0.017 0.038 0.002 0.039 0.017 0.042 0.013 -0.037 0.011 0.001 -0.046 -0.042 -0.015 -0.181 -0.443 -0.136 -0.004 -0.013 0.036 0.043 0.020 -0.027 47.161933 109.578141 116.776287 117.696314 122.980973 140.773037 141.062923 147.105843 162.097482 162.750384 167.404551 167.767184 169.366701 169.750794 175.345769 176.855683 187.242512 187.669381 189.995031 201.130081 213.111964 213.616580 214.206600 215.902293 259.095536 259.516271 323.934843 361.445654 407.194897 408.782073 441.723381 461.647792 462.833320 532.945345 538.276993 543.844042 550.946917 567.702387 568.439187 590.532464 590.589463 598.763044 685.443338 685.537524 718.315798 726.004853 847.176649 849.391717 851.836278 852.344485 875.717102 0.088034 0.166394 0.215558 0.046257 610.036175 775.743053 776.553923 0.463106 75.850737 74.179879 2394.601092 165.415554 12.368189 3.210230 0.756991 5.284896 1385.462285 1406.896681 9.156206 0.612373 11.876391 17.264181 4.102717 0.123264 1711.068115 1715.109346 0.012197 3636.264652 8796.814744 8771.141560 1.667940 1.296879 0.021989 382.740602 1.376027 606.352436 0.335347 459.691270 391.089813 2066.993558 2040.470611 0.939072 12545.402893 12515.754922 3.491167 8679.216790 10.318488 1259.749432 2365.430754 2333.864865 171.677262 0.001041 0.004570 0.006310 0.001365 18.804924 27.372562 27.457600 0.017076 3.081869 3.026120 100.479741 6.956030 0.525064 0.136592 0.033271 0.234279 65.024532 66.181057 0.436050 0.030872 0.634411 0.924398 0.220284 0.006671 111.123343 111.566672 0.000990 329.440176 897.854251 898.723363 0.184675 0.150068 0.002551 51.128762 0.185657 82.656607 0.046311 65.413148 55.723525 305.957406 302.060619 0.140939 2155.431587 2150.633233 0.628585 1579.421807 2.191130 268.207096 505.061706 498.619124 37.683799 1.000000 298.150000 14373.6121 14411.9579 19888.1928 1 NOSYM 298.15 46.942 36.664 78.958 162.565 0.889 0.889 40.660 42.437 2.981 2.981 74.887 80.849 1128.7311 AuxInfo=1/0/N:1;2;4;5;6;7;9;10;11;12;13;16;17;19;3;8;14;15;18/rA:19nOO1TaO1OOO1TaO1O5OOOTaTaOO1TaO/rB:;;;s3;s3;s3;s4s5;;s3s8;s8;;s3;s1s6s10s12;s9s10s12s13;s8s14;s14;s1s2s10s11;s15s18;/rC:5.1334,7.2948,11.011;4.2433,4.8542,12.4299;4.7036,6.7864,6.3561;8.2706,4.4639,8.3206;6.1052,5.4264,6.5929;5.3707,8.38,7.1638;4.7277,7.0698,4.5891;6.704,5.3176,8.4651;.6945,7.447,8.6947;4.5812,6.1959,8.5832;5.8941,4.4546,10.0378;3.3908,8.5687,9.1783;2.7783,6.7355,6.7574;5.4182,8.2437,9.2122;2.428,7.001,8.6762;7.1125,7.1034,8.995;6.0682,9.8324,9.7006;4.4303,5.5363,10.7857;2.5651,5.7655,10.2022;/R:/0/N:2,4,9,7,17,11,19,5,13,1,16,12,6,10,18,8,15,3,14/E:(1,2,3,4)(6,7,8,9)(10,11,12,13)(15,16,17,18)/CRV:1.1,2.1,3.1,4.1,5.1,14.5,19.6 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 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 -6.592 -6.592 -6.560 -6.559 -6.231 -6.231 -6.215 -6.180 -6.109 -6.109 -2.166 -1.363 -1.075 -1.075 -0.999 -0.740 -0.737 -0.645 -0.313 -0.311 A A A A A A A A A A A A A A A A A A A A 0.00000000021364 0.00015426186413 0.00014251966182 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 O O Ta O O O O Ta O O O O O Ta Ta O O Ta O -1.0025 -0.9255 2.2172 -0.9254 -1.0438 -1.0025 -0.9254 2.2169 -0.9255 -1.2166 -1.0436 -1.0022 -1.0439 2.1404 2.2172 -1.0021 -0.9069 2.2177 -1.0437 1.9403 1.9443 2.1092 1.9442 1.9365 1.9403 1.9443 2.1094 1.9442 1.9130 1.9365 1.9403 1.9365 2.1529 2.1094 1.9403 1.9467 2.1091 1.9365 5.0325 4.9538 6.0767 4.9538 5.0775 5.0325 4.9536 6.0767 4.9539 5.2755 5.0773 5.0321 5.0776 6.1096 6.0764 5.0320 4.9324 6.0763 5.0774 0.0297 0.0274 2.5648 0.0274 0.0298 0.0297 0.0274 2.5648 0.0274 0.0282 0.0298 0.0297 0.0298 2.5636 2.5647 0.0297 0.0279 2.5647 0.0298 0.0000 0.0000 14.0322 0.0000 0.0000 0.0000 0.0000 14.0322 0.0000 0.0000 0.0000 0.0000 0.0000 14.0335 14.0322 0.0000 0.0000 14.0322 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 O O Ta O O O O Ta O O O O O Ta Ta O O Ta O -1.021587 -1.007324 2.273389 -1.007374 -1.029623 -1.021688 -1.007065 2.273929 -1.007332 -1.191368 -1.029579 -1.021317 -1.029598 2.314777 2.273933 -1.021396 -0.984689 2.273522 -1.029609 -0.875913 -0.918848 1.826973 -0.919014 -0.867175 -0.875822 -0.918462 1.827037 -0.918961 -0.651438 -0.867040 -0.875783 -0.867135 1.873946 1.827076 -0.875956 -0.883297 1.826902 -0.867090 -0.929502 -0.935358 1.973190 -0.939039 -0.924505 -0.938979 -0.917387 2.006323 -0.918776 -0.890661 -0.928393 -0.941691 -0.925764 1.935588 1.977013 -0.930911 -0.845288 1.997361 -0.923221 -70.78780880 -100.94413381 -127.27185089 177.19694143 408.31608643 -530.54184101 -690.34304779 53.27372421 -977.33378919 -461.58981064 -135.1193 155.6314 -27.9615 -157.1269 -14.4010 -178.9772 Apr30-2021 21:26:26 Nodes: 1 Procs: 1 Apr30-2021 21:26:28 Nodes: 1 Procs: 1 0 Apr30-2021 21:26:30 Nodes: 1 Procs: 1 Apr30-2021 21:26:31 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr30-2021 21:26:32 Nodes: 2 Procs: 24 *** (NO TITLE) *** -3 -6.17561612 -6.46609231 -6.53199858 -6.56096832 -6.57116382 -6.57534173 -6.57656135 -6.57718300 -6.57722472 -6.57728114 -6.57729082 GEOMETRY CONVERGED