Gaussian 98 g16 GINC-HALL66 ROOT Freq ES64L-G16RevC.01 184 184 320 321 2112 (6D, 7F) 6-31+G(d,p) UwB97XD 6-31+G(d,p) FOpt # wB97XD/6-31+g(d,p) opt freq=noraman 1084.3172000000013 -1 2 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;27;28;29;30;31;32;35;36;37;38;39;40;43;44;46;47;49;50;51;52;53;55;56;58;59;61;62;63;65;66;67;68;69;70;71;72;75;76;77;78;79;80;83;85;86;87;88;90;91;92;94;95;97;98;99;100;102;103;105;106;25;26;107;108;109;110;111;112;17;18;19;20;21;22;23;24;33;34;41;42;45;48;54;57;60;64;73;74;81;82;84;89;93;96;101;104;113;114;115;116;117;118;119;120;121;122;123;124;125;126;127;128;129;130;131;132;133;134;135;136;137;138;139;140;141;142;143;144;145;146;147;148;149;150;151;152;153;154;155;156;157;158;159;160;161;162;163;164;165;166;167;168;169;170;171;172;173;174;175;176;177;178;179;180;181;182;183;184/rA:184nC0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0B0B0C0C0C0C0C0C0H0H0C0C0C0C0C0C0H0H0C0C0H0C0C0H0C0C0C0C0C0H0C0C0H0C0C0H0C0C0C0H0C0C0C0C0C0C0C0C0H0H0C0C0C0C0C0C0H0H0C0H0C0C0C0C0H0C0C0C0H0C0C0H0C0C0C0C0H0C0C0H0C0C0B0B0S0S0S0S0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.2013,-1.2899,1.14;-4.3788,-.6974,.6304;-4.3792,.6952,.6304;-3.202,1.2884,1.1399;-1.2895,3.2001,1.1435;-.6976,4.3813,.6432;.6953,4.3817,.6433;1.2878,3.2007,1.1436;3.2013,1.29,1.1403;4.3789,.6975,.631;4.3793,-.6951,.6311;3.202,-1.2883,1.1405;1.2894,-3.1999,1.1439;.6976,-4.3812,.6437;-.6953,-4.3816,.6436;-1.2878,-3.2006,1.1437;-5.1798,-1.3012,.2117;-5.1805,1.2986,.2117;-1.3021,5.1849,.2311;1.2995,5.1856,.2313;5.1799,1.3012,.2124;5.1806,-1.2985,.2125;1.3022,-5.1849,.2318;-1.2994,-5.1855,.2316;-2.7366,-2.7384,.9739;2.7366,2.7386,.974;-3.7715,-3.7699,.3186;-3.8769,-3.863,-1.0853;-4.5997,-4.5907,1.1062;-4.7892,-4.7487,-1.6624;-5.5093,-5.4627,.5006;-5.6184,-5.5565,-.8852;-4.8536,-4.8078,-2.7485;-6.1533,-6.0879,1.1176;3.7715,3.7699,.3185;4.5999,4.5906,1.106;3.8769,3.8628,-1.0853;5.5096,5.4624,.5003;4.7893,4.7483,-1.6626;5.6186,5.5561,-.8855;6.1537,6.0875,1.1173;4.8537,4.8073,-2.7487;-4.5352,-4.4816,2.6236;-4.6084,-5.8336,3.3415;-3.5627,-4.0376,2.8666;-5.6169,-3.522,3.1388;-3.0006,-3.0046,-1.9909;-2.3715,-2.3852,-1.345;-2.0602,-3.8598,-2.8496;-3.8351,-2.0511,-2.8554;-6.6103,-6.5134,-1.5239;-7.6612,-5.7709,-2.3609;-5.9056,-7.5884,-2.3631;-7.1383,-7.0246,-.7074;4.5354,4.4817,2.6235;4.6085,5.8338,3.3412;3.563,4.0376,2.8665;5.6173,3.5223,3.1387;3.0004,3.0044,-1.9909;2.3711,2.3853,-1.3448;2.0603,3.8596,-2.8498;3.8348,2.0505,-2.8551;6.6106,6.5127,-1.5244;7.1388,7.024,-.7079;7.6614,5.77,-2.3612;5.9061,7.5877,-2.3636;3.7735,-3.7679,.319;3.879,-3.8607,-1.0849;4.6021,-4.5883,1.1065;4.7918,-4.7459,-1.6622;5.5122,-5.4597,.5008;5.6214,-5.5533,-.885;4.8563,-4.8049,-2.7483;6.1566,-6.0846,1.1178;-3.7735,3.7681,.3185;-4.6023,4.5882,1.1061;-3.879,3.8611,-1.0854;-5.5125,5.4596,.5004;-4.7918,4.7462,-1.6626;-5.6216,5.5534,-.8853;-6.157,6.0843,1.1175;-4.8562,4.8053,-2.7487;4.5375,-4.4794,2.6239;3.5648,-4.0359,2.8669;4.6114,-5.8314,3.3417;5.6188,-3.5193,3.1392;3.0022,-3.0027,-1.9905;2.0623,-3.8584,-2.8493;2.3727,-2.3837,-1.3445;3.8362,-2.0487,-2.8548;6.6138,-6.5096,-1.5238;7.6644,-5.7664,-2.3606;7.1421,-7.0206,-.7073;5.9098,-7.5849,-2.363;-4.5378,4.4791,2.6235;-3.5652,4.0355,2.8664;-4.6115,5.8311,3.3414;-5.6192,3.5192,3.1386;-3.002,3.0033,-1.9911;-2.0623,3.8592,-2.8499;-2.3724,2.3844,-1.3452;-3.8359,2.0491,-2.8554;-6.6141,6.5096,-1.5241;-7.1425,7.0205,-.7075;-5.9102,7.5852,-2.3631;-7.6645,5.7665,-2.3611;2.7381,-2.737,.9743;-2.7381,2.7372,.9737;.0005,-2.1626,1.6809;2.1687,.0006,1.6854;-.0006,2.1628,1.6808;-2.1688,-.0005,1.6851;5.3708,7.1347,-3.2056;6.6293,8.3059,-2.77;5.1737,8.1334,-1.761;7.1915,5.2499,-3.2035;8.1804,5.0196,-1.7571;8.405,6.4672,-2.7673;3.1807,1.4054,-3.4524;4.4573,1.4064,-2.2271;4.4895,2.5997,-3.5441;3.1818,-1.4037,-3.4522;4.4911,-2.5977,-3.5439;4.4586,-1.4043,-2.227;1.4048,-3.2191,-3.4492;1.4304,-4.4893,-2.2174;2.6229,-4.5066,-3.5355;5.5008,2.5346,2.6833;5.5503,3.4075,4.2275;6.6175,3.9019,2.8928;3.8595,6.5283,2.9473;5.5956,6.3011,3.2355;4.4232,5.7011,4.4133;3.863,-6.5265,2.9478;4.426,-5.6988,4.4137;5.5988,-6.298,3.2361;5.5016,-2.5316,2.6838;6.6193,-3.8982,2.8933;5.5517,-3.4045,4.228;5.3743,-7.1321,-3.2051;5.1776,-8.1309,-1.7604;6.6333,-8.3028,-2.7694;7.1942,-5.2466,-3.2029;8.4082,-6.4634,-2.7666;8.183,-5.0158,-1.7565;1.4029,3.22,-3.4496;2.6206,4.5079,-3.536;1.4281,4.4904,-2.2179;-3.1815,1.4044,-3.4529;-4.491,2.5981,-3.5443;-4.4581,1.4046,-2.2276;-1.4047,3.22,-3.4498;-1.4305,4.4901,-2.218;-2.6231,4.5073,-3.5361;-5.5023,2.5316,2.6831;-6.6197,3.8983,2.8927;-5.5522,3.4043,4.2274;-3.8628,6.526,2.9476;-4.4261,5.6984,4.4134;-5.5987,6.2979,3.2357;-7.1942,5.2468,-3.2034;-8.4084,6.4634,-2.767;-8.183,5.0156,-1.7571;-5.3746,7.1326,-3.2052;-5.178,8.1312,-1.7604;-6.6337,8.303,-2.7694;-7.1913,-5.2508,-3.2031;-8.1802,-5.0205,-1.7568;-8.4046,-6.4683,-2.7668;-5.3704,-7.1353,-3.2051;-6.6287,-8.3067,-2.7694;-5.1731,-8.1339,-1.7604;-1.403,-3.2202,-3.4495;-2.6204,-4.5084,-3.5357;-1.4279,-4.4903,-2.2176;-3.1811,-1.4058,-3.4528;-4.4579,-1.407,-2.2277;-4.4896,-2.6006,-3.5444;-5.5004,-2.5343,2.6832;-5.5499,-3.4071,4.2275;-6.6172,-3.9015,2.8929;-3.8596,-6.5283,2.9477;-5.5956,-6.3007,3.236;-4.423,-5.7008,4.4136; g16 /SW/g16.c01_avx2/l1.exe "/tmp/75532.1.smp/Gau-21477.inp" -scrdir="/tmp/75532.1.smp/" Freq Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 R106 R107 R108 R109 R110 R111 R112 R113 R114 R115 R116 R117 R118 R119 R120 R121 R122 R123 R124 R125 R126 R127 R128 R129 R130 R131 R132 R133 R134 R135 R136 R137 R138 R139 R140 R141 R142 R143 R144 R145 R146 R147 R148 R149 R150 R151 R152 R153 R154 R155 R156 R157 R158 R159 R160 R161 R162 R163 R164 R165 R166 R167 R168 R169 R170 R171 R172 R173 R174 R175 R176 R177 R178 R179 R180 R181 R182 R183 R184 R185 R186 R187 R188 R189 R190 R191 R192 1 1 1 2 2 3 3 4 4 5 5 5 6 6 7 7 8 8 9 9 9 10 10 11 11 12 12 13 13 13 14 14 15 15 16 16 25 26 27 27 28 28 29 29 30 30 31 31 32 35 35 36 36 37 37 38 38 39 39 40 43 43 43 44 44 44 46 46 46 47 47 47 49 49 49 50 50 50 51 51 51 52 52 52 53 53 53 55 55 55 56 56 56 58 58 58 59 59 59 61 61 61 62 62 62 63 63 63 65 65 65 66 66 66 67 67 67 68 68 69 69 70 70 71 71 72 75 75 75 76 76 77 77 78 78 79 79 80 83 83 83 85 85 85 86 86 86 87 87 87 88 88 88 90 90 90 91 91 91 92 92 92 94 94 94 95 95 95 97 97 97 98 98 98 99 99 99 100 100 100 102 102 102 103 103 103 105 105 105 106 106 106 2 25 112 3 17 4 18 108 112 6 108 111 7 19 8 20 26 111 10 26 110 11 21 12 22 107 110 14 107 109 15 23 16 24 25 109 27 35 28 29 30 47 31 43 32 33 32 34 51 36 37 38 55 39 59 40 41 40 42 63 44 45 46 182 183 184 179 180 181 48 49 50 173 174 175 176 177 178 52 53 54 167 168 169 170 171 172 56 57 58 131 132 133 128 129 130 60 61 62 146 147 148 119 120 121 64 65 66 116 117 118 113 114 115 68 69 107 70 87 71 83 72 73 72 74 91 76 77 108 78 95 79 99 80 81 80 82 103 84 85 86 134 135 136 137 138 139 88 89 90 125 126 127 122 123 124 92 93 94 143 144 145 140 141 142 96 97 98 158 159 160 155 156 157 100 101 102 152 153 154 149 150 151 104 105 106 164 165 166 161 162 163 1.4133 1.5303 1.7395 1.3926 1.0869 1.4133 1.0869 1.5303 1.7395 1.4128 1.5302 1.7395 1.3929 1.0867 1.4128 1.0867 1.5302 1.7395 1.4133 1.5303 1.7395 1.3926 1.0869 1.4133 1.0869 1.5303 1.7395 1.4128 1.5302 1.7395 1.3929 1.0867 1.4128 1.0867 1.5302 1.7395 1.6013 1.6013 1.4109 1.4071 1.3964 1.5248 1.3981 1.5227 1.3944 1.0896 1.3932 1.0892 1.519 1.4071 1.4109 1.3981 1.5227 1.3964 1.5248 1.3932 1.0892 1.3944 1.0896 1.519 1.5325 1.0963 1.535 1.0947 1.0972 1.096 1.0939 1.0969 1.0978 1.0939 1.534 1.5339 1.0959 1.0978 1.094 1.0959 1.0939 1.0978 1.535 1.535 1.0986 1.0958 1.0942 1.0972 1.0958 1.0972 1.0943 1.5325 1.0963 1.535 1.0947 1.0972 1.096 1.0939 1.0969 1.0978 1.0939 1.534 1.5339 1.0959 1.0978 1.094 1.0959 1.0939 1.0978 1.0986 1.535 1.535 1.0958 1.0942 1.0972 1.0958 1.0972 1.0943 1.4109 1.4071 1.6013 1.3964 1.5248 1.3981 1.5227 1.3944 1.0896 1.3932 1.0892 1.519 1.4071 1.4109 1.6013 1.3981 1.5227 1.3964 1.5248 1.3932 1.0892 1.3944 1.0896 1.519 1.0963 1.5325 1.535 1.0947 1.096 1.0972 1.0939 1.0978 1.0969 1.534 1.0939 1.5339 1.0959 1.094 1.0978 1.0959 1.0978 1.0939 1.535 1.0986 1.535 1.0958 1.0972 1.0943 1.0958 1.0943 1.0972 1.0963 1.5325 1.535 1.0947 1.096 1.0972 1.0939 1.0978 1.0969 1.534 1.0939 1.5339 1.0959 1.094 1.0978 1.0959 1.0978 1.0939 1.0986 1.535 1.535 1.0958 1.0943 1.0972 1.0958 1.0972 1.0943 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 A295 A296 A297 A298 A299 A300 A301 A302 A303 A304 A305 A306 A307 A308 A309 A310 A311 A312 A313 A314 A315 A316 A317 A318 A319 A320 A321 A322 A323 A324 A325 A326 A327 A328 A329 A330 A331 A332 A333 A334 A335 A336 A337 A338 A339 A340 A341 A342 A343 A344 A345 A346 A347 A348 A349 A350 A351 A352 2 2 25 1 1 3 2 2 4 3 3 108 6 6 108 5 5 7 6 6 8 7 7 26 10 10 26 9 9 11 10 10 12 11 11 107 14 14 107 13 13 15 14 14 16 15 15 25 1 1 16 8 8 9 25 25 28 27 27 30 27 27 31 28 28 32 29 29 32 30 30 31 26 26 36 35 35 38 35 35 39 36 36 40 37 37 40 38 38 39 29 29 29 44 44 45 43 43 43 182 182 183 43 43 43 179 179 180 28 28 28 48 48 49 47 47 47 173 173 174 47 47 47 176 176 177 32 32 32 52 52 53 51 51 51 167 167 168 51 51 51 170 170 171 36 36 36 56 56 57 55 55 55 131 131 132 55 55 55 128 128 129 37 37 37 60 60 61 59 59 59 146 146 147 59 59 59 119 119 120 40 40 40 64 64 65 63 63 63 116 116 117 63 63 63 113 113 114 68 68 69 67 67 70 67 67 71 68 68 72 69 69 72 70 70 71 76 76 77 75 75 78 75 75 79 76 76 80 77 77 80 78 78 79 69 69 69 84 84 85 83 83 83 134 134 135 83 83 83 137 137 138 68 68 68 88 88 89 87 87 87 125 125 126 87 87 87 122 122 123 72 72 72 92 92 93 91 91 91 143 143 144 91 91 91 140 140 141 76 76 76 96 96 97 95 95 95 158 158 159 95 95 95 155 155 156 77 77 77 100 100 101 99 99 99 152 152 153 99 99 99 149 149 150 80 80 80 104 104 105 103 103 103 164 164 165 103 103 103 161 161 162 12 12 13 4 4 5 13 9 5 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 31 32 32 32 35 35 35 36 36 36 37 37 37 38 38 38 39 39 39 40 40 40 43 43 43 43 43 43 44 44 44 44 44 44 46 46 46 46 46 46 47 47 47 47 47 47 49 49 49 49 49 49 50 50 50 50 50 50 51 51 51 51 51 51 52 52 52 52 52 52 53 53 53 53 53 53 55 55 55 55 55 55 56 56 56 56 56 56 58 58 58 58 58 58 59 59 59 59 59 59 61 61 61 61 61 61 62 62 62 62 62 62 63 63 63 63 63 63 65 65 65 65 65 65 66 66 66 66 66 66 67 67 67 68 68 68 69 69 69 70 70 70 71 71 71 72 72 72 75 75 75 76 76 76 77 77 77 78 78 78 79 79 79 80 80 80 83 83 83 83 83 83 85 85 85 85 85 85 86 86 86 86 86 86 87 87 87 87 87 87 88 88 88 88 88 88 90 90 90 90 90 90 91 91 91 91 91 91 92 92 92 92 92 92 94 94 94 94 94 94 95 95 95 95 95 95 97 97 97 97 97 97 98 98 98 98 98 98 99 99 99 99 99 99 100 100 100 100 100 100 102 102 102 102 102 102 103 103 103 103 103 103 105 105 105 105 105 105 106 106 106 106 106 106 107 107 107 108 108 108 109 110 111 112 25 112 112 3 17 17 4 18 18 108 112 112 108 111 111 7 19 19 8 20 20 26 111 111 26 110 110 11 21 21 12 22 22 107 110 110 107 109 109 15 23 23 16 24 24 25 109 109 16 27 27 9 35 35 28 29 29 30 47 47 31 43 43 32 33 33 32 34 34 31 51 51 36 37 37 38 55 55 39 59 59 40 41 41 40 42 42 39 63 63 44 45 46 45 46 46 182 183 184 183 184 184 179 180 181 180 181 181 48 49 50 49 50 50 173 174 175 174 175 175 176 177 178 177 178 178 52 53 54 53 54 54 167 168 169 168 169 169 170 171 172 171 172 172 56 57 58 57 58 58 131 132 133 132 133 133 128 129 130 129 130 130 60 61 62 61 62 62 146 147 148 147 148 148 119 120 121 120 121 121 64 65 66 65 66 66 116 117 118 117 118 118 113 114 115 114 115 115 69 107 107 70 87 87 71 83 83 72 73 73 72 74 74 71 91 91 77 108 108 78 95 95 79 99 99 80 81 81 80 82 82 79 103 103 84 85 86 85 86 86 134 135 136 135 136 136 137 138 139 138 139 139 88 89 90 89 90 90 125 126 127 126 127 127 122 123 124 123 124 124 92 93 94 93 94 94 143 144 145 144 145 145 140 141 142 141 142 142 96 97 98 97 98 98 158 159 160 159 160 160 155 156 157 156 157 157 100 101 102 101 102 102 152 153 154 153 154 154 149 150 151 150 151 151 104 105 106 105 106 106 164 165 166 165 166 166 161 162 163 162 163 163 13 67 67 5 75 75 16 12 8 4 127.6427 107.2623 123.7413 114.8032 121.3297 123.7315 114.8033 123.7314 121.3297 127.643 107.2622 123.7414 127.6088 107.3111 123.7304 114.7805 121.2975 123.7868 114.7807 123.7868 121.2974 127.6089 107.311 123.7306 127.6426 107.2623 123.7415 114.8031 121.3297 123.7315 114.8033 123.7315 121.3296 127.6425 107.2623 123.7416 127.6094 107.3111 123.7304 114.7805 121.2976 123.7868 114.7806 123.7867 121.2976 127.6094 107.311 123.7307 124.1491 117.2531 117.5641 124.1492 117.5649 117.2513 119.8628 121.8072 118.3277 120.127 120.7252 119.1477 120.2847 119.4127 120.2597 121.7086 119.0154 119.276 121.5877 119.8203 118.5921 117.9612 121.2563 120.7824 121.8067 119.8631 118.3279 120.2847 119.4136 120.2588 120.1269 120.7247 119.1483 121.5877 119.8202 118.5921 121.7086 119.0154 119.276 117.9611 120.7825 121.2562 113.6792 106.7034 110.4481 107.2091 111.1368 107.3115 111.0148 111.9309 110.0708 108.0999 108.2435 107.3334 110.4599 110.8295 110.5392 108.1956 108.4187 108.3138 107.3726 111.7747 111.8398 107.0772 107.0766 111.3827 110.4084 111.4945 110.6223 107.9803 107.8194 108.3933 110.4008 110.6282 111.5278 107.8159 107.9596 108.3843 111.8177 111.792 107.123 110.7933 107.5335 107.5217 110.7996 110.8239 110.9889 107.59 107.9285 108.5868 110.7803 111.0013 110.8163 107.9361 107.5998 108.5845 113.6779 106.7037 110.4487 107.2087 111.1379 107.3111 111.0141 111.9308 110.0712 108.0999 108.2436 107.3338 110.4593 110.8296 110.5398 108.1957 108.4186 108.3137 107.3726 111.7757 111.8391 107.0767 107.0765 111.3828 110.408 111.4952 110.6226 107.9799 107.8195 108.3932 110.4011 110.6284 111.527 107.8158 107.9598 108.3845 107.123 111.8176 111.7921 107.5336 107.5216 110.7933 110.7996 110.8239 110.989 107.59 107.9285 108.5867 110.7804 111.0012 110.8163 107.9361 107.5997 108.5844 118.3279 119.8626 121.8072 120.127 120.7247 119.1483 120.2845 119.413 120.2596 121.7085 119.0154 119.2761 121.5877 119.8203 118.592 117.9613 121.2563 120.7824 118.3277 121.8064 119.8635 120.2848 119.4137 120.2587 120.127 120.7252 119.1478 121.5877 119.8202 118.5921 121.7086 119.0153 119.2761 117.9611 120.7825 121.2563 106.7036 113.679 110.448 107.2089 107.3113 111.1372 111.0145 110.0709 111.931 108.2435 108.0999 107.3335 110.4596 110.5395 110.8295 108.4187 108.1955 108.3137 111.7749 107.3724 111.8398 107.0771 111.3829 107.0764 110.4084 110.6223 111.4946 107.8193 107.9803 108.3935 110.4007 111.5278 110.6284 107.9595 107.8158 108.3844 111.8177 107.1229 111.7919 107.5335 110.7933 107.5217 110.7997 110.9888 110.8239 107.9284 107.59 108.5868 110.7804 110.8163 111.0012 107.5997 107.9361 108.5845 106.7038 113.6775 110.4489 107.2087 107.311 111.1382 111.0139 110.0713 111.9308 108.2436 108.0998 107.3339 110.4592 110.5401 110.8296 108.4186 108.1955 108.3135 111.776 107.373 111.8381 107.0769 111.3827 107.0768 110.4079 110.6226 111.4953 107.8194 107.9797 108.3933 110.4011 111.5269 110.6282 107.96 107.8159 108.3845 107.1229 111.792 111.8177 107.5217 107.5335 110.7933 110.7804 110.8163 111.0012 107.5997 107.9362 108.5845 110.7997 110.9889 110.8239 107.9284 107.59 108.5867 124.1487 117.2521 117.5638 124.1492 117.2516 117.5654 95.5991 95.6508 95.5993 95.651 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 D432 D433 D434 D435 D436 D437 D438 D439 D440 D441 D442 D443 D444 D445 D446 D447 D448 D449 D450 D451 D452 D453 D454 D455 D456 D457 D458 D459 D460 D461 D462 D463 D464 D465 D466 D467 D468 D469 D470 D471 D472 D473 D474 D475 D476 D477 D478 D479 D480 D481 D482 D483 D484 D485 D486 D487 D488 D489 D490 D491 D492 D493 D494 D495 D496 25 25 112 112 2 2 112 112 2 25 1 1 17 17 2 2 18 18 3 3 112 112 3 108 108 108 111 111 6 6 111 111 6 108 5 5 19 19 6 6 20 20 7 7 111 111 7 26 26 26 110 110 10 10 110 110 10 26 9 9 21 21 10 10 22 22 11 11 110 110 11 107 107 107 109 109 14 14 109 109 14 107 13 13 23 23 14 14 24 24 15 15 109 109 15 25 1 1 16 16 8 8 9 9 25 25 29 29 25 25 28 28 27 27 47 47 27 27 27 30 30 30 27 27 43 43 27 27 27 31 31 31 28 28 33 33 29 29 34 34 30 30 30 31 31 31 26 26 37 37 26 26 36 36 35 35 55 55 35 35 35 38 38 38 35 35 59 59 35 35 35 39 39 39 36 36 41 41 37 37 42 42 38 38 38 39 39 39 29 29 29 45 45 45 46 46 46 29 29 29 44 44 44 45 45 45 28 28 28 48 48 48 50 50 50 28 28 28 48 48 48 49 49 49 32 32 32 53 53 53 54 54 54 32 32 32 52 52 52 54 54 54 36 36 36 57 57 57 58 58 58 36 36 36 56 56 56 57 57 57 37 37 37 60 60 60 62 62 62 37 37 37 60 60 60 61 61 61 40 40 40 64 64 64 66 66 66 40 40 40 64 64 64 65 65 65 69 69 107 107 68 68 107 107 68 68 69 69 67 67 87 87 67 67 67 70 70 70 67 67 83 83 67 67 67 71 71 71 68 68 73 73 69 69 74 74 70 70 70 71 71 71 77 77 108 108 76 76 108 108 76 76 77 77 75 75 95 95 75 75 75 78 78 78 75 75 99 99 75 75 75 79 79 79 76 76 81 81 77 77 82 82 78 78 78 79 79 79 69 69 69 84 84 84 86 86 86 69 69 69 84 84 84 85 85 85 68 68 68 89 89 89 90 90 90 68 68 68 88 88 88 89 89 89 72 72 72 93 93 93 94 94 94 72 72 72 92 92 92 93 93 93 76 76 76 96 96 96 98 98 98 76 76 76 96 96 96 97 97 97 77 77 77 101 101 101 102 102 102 77 77 77 100 100 100 101 101 101 80 80 80 104 104 104 106 106 106 80 80 80 104 104 104 105 105 105 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 25 25 25 25 26 26 26 26 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 29 30 30 30 30 31 31 31 31 32 32 32 32 32 32 35 35 35 35 35 35 35 35 36 36 36 36 36 36 36 36 36 36 37 37 37 37 37 37 37 37 37 37 38 38 38 38 39 39 39 39 40 40 40 40 40 40 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 59 59 59 59 59 59 59 59 59 59 59 59 59 59 59 59 59 59 63 63 63 63 63 63 63 63 63 63 63 63 63 63 63 63 63 63 67 67 67 67 67 67 67 67 67 67 67 67 68 68 68 68 68 68 68 68 68 68 69 69 69 69 69 69 69 69 69 69 70 70 70 70 71 71 71 71 72 72 72 72 72 72 75 75 75 75 75 75 75 75 75 75 75 75 76 76 76 76 76 76 76 76 76 76 77 77 77 77 77 77 77 77 77 77 78 78 78 78 79 79 79 79 80 80 80 80 80 80 83 83 83 83 83 83 83 83 83 83 83 83 83 83 83 83 83 83 87 87 87 87 87 87 87 87 87 87 87 87 87 87 87 87 87 87 91 91 91 91 91 91 91 91 91 91 91 91 91 91 91 91 91 91 95 95 95 95 95 95 95 95 95 95 95 95 95 95 95 95 95 95 99 99 99 99 99 99 99 99 99 99 99 99 99 99 99 99 99 99 103 103 103 103 103 103 103 103 103 103 103 103 103 103 103 103 103 103 2 2 2 2 25 25 25 25 112 112 3 3 3 3 4 4 4 4 108 108 108 108 112 112 6 6 6 6 108 108 108 108 111 111 7 7 7 7 8 8 8 8 26 26 26 26 111 111 10 10 10 10 26 26 26 26 110 110 11 11 11 11 12 12 12 12 107 107 107 107 110 110 14 14 14 14 107 107 107 107 109 109 15 15 15 15 16 16 16 16 25 25 25 25 109 109 27 27 27 27 35 35 35 35 28 28 28 28 29 29 29 29 30 30 30 30 47 47 47 47 47 47 31 31 31 31 43 43 43 43 43 43 32 32 32 32 32 32 32 32 51 51 51 51 51 51 36 36 36 36 37 37 37 37 38 38 38 38 55 55 55 55 55 55 39 39 39 39 59 59 59 59 59 59 40 40 40 40 40 40 40 40 63 63 63 63 63 63 44 44 44 44 44 44 44 44 44 46 46 46 46 46 46 46 46 46 49 49 49 49 49 49 49 49 49 50 50 50 50 50 50 50 50 50 52 52 52 52 52 52 52 52 52 53 53 53 53 53 53 53 53 53 56 56 56 56 56 56 56 56 56 58 58 58 58 58 58 58 58 58 61 61 61 61 61 61 61 61 61 62 62 62 62 62 62 62 62 62 65 65 65 65 65 65 65 65 65 66 66 66 66 66 66 66 66 66 68 68 68 68 69 69 69 69 107 107 107 107 70 70 70 70 87 87 87 87 87 87 71 71 71 71 83 83 83 83 83 83 72 72 72 72 72 72 72 72 91 91 91 91 91 91 76 76 76 76 77 77 77 77 108 108 108 108 78 78 78 78 95 95 95 95 95 95 79 79 79 79 99 99 99 99 99 99 80 80 80 80 80 80 80 80 103 103 103 103 103 103 85 85 85 85 85 85 85 85 85 86 86 86 86 86 86 86 86 86 88 88 88 88 88 88 88 88 88 90 90 90 90 90 90 90 90 90 92 92 92 92 92 92 92 92 92 94 94 94 94 94 94 94 94 94 97 97 97 97 97 97 97 97 97 98 98 98 98 98 98 98 98 98 100 100 100 100 100 100 100 100 100 102 102 102 102 102 102 102 102 102 105 105 105 105 105 105 105 105 105 106 106 106 106 106 106 106 106 106 3 17 3 17 16 27 16 27 4 4 4 18 4 18 108 112 108 112 5 75 5 75 1 1 7 19 7 19 4 75 4 75 8 8 8 20 8 20 26 111 26 111 9 35 9 35 5 5 11 21 11 21 8 35 8 35 12 12 12 22 12 22 107 110 107 110 13 67 13 67 9 9 15 23 15 23 12 67 12 67 16 16 16 24 16 24 25 109 25 109 1 27 1 27 13 13 28 29 28 29 36 37 36 37 30 47 30 47 31 43 31 43 32 33 32 33 48 49 50 48 49 50 32 34 32 34 44 45 46 44 45 46 31 51 31 51 30 51 30 51 52 53 54 52 53 54 38 55 38 55 39 59 39 59 40 41 40 41 56 57 58 56 57 58 40 42 40 42 60 61 62 60 61 62 39 63 39 63 38 63 38 63 64 65 66 64 65 66 182 183 184 182 183 184 182 183 184 179 180 181 179 180 181 179 180 181 173 174 175 173 174 175 173 174 175 176 177 178 176 177 178 176 177 178 167 168 169 167 168 169 167 168 169 170 171 172 170 171 172 170 171 172 131 132 133 131 132 133 131 132 133 128 129 130 128 129 130 128 129 130 146 147 148 146 147 148 146 147 148 119 120 121 119 120 121 119 120 121 116 117 118 116 117 118 116 117 118 113 114 115 113 114 115 113 114 115 70 87 70 87 71 83 71 83 12 13 12 13 72 73 72 73 88 89 90 88 89 90 72 74 72 74 84 85 86 84 85 86 71 91 71 91 70 91 70 91 92 93 94 92 93 94 78 95 78 95 79 99 79 99 4 5 4 5 80 81 80 81 96 97 98 96 97 98 80 82 80 82 100 101 102 100 101 102 79 103 79 103 78 103 78 103 104 105 106 104 105 106 134 135 136 134 135 136 134 135 136 137 138 139 137 138 139 137 138 139 125 126 127 125 126 127 125 126 127 122 123 124 122 123 124 122 123 124 143 144 145 143 144 145 143 144 145 140 141 142 140 141 142 140 141 142 158 159 160 158 159 160 158 159 160 155 156 157 155 156 157 155 156 157 152 153 154 152 153 154 152 153 154 149 150 151 149 150 151 149 150 151 164 165 166 164 165 166 164 165 166 161 162 163 161 162 163 161 162 163 -163.8555 12.064 3.1079 179.0274 159.2207 -8.8395 -5.7657 -173.8259 -4.2045 163.3918 0.001 175.8086 -175.8077 -0.0001 163.8554 -3.1094 -12.0631 -179.0278 -159.2195 8.8403 5.7684 173.8282 4.205 -163.3926 -163.8759 12.0511 3.107 179.034 159.5984 -8.427 -5.4166 -173.442 -4.2006 163.4101 -0.0009 175.8129 -175.8132 0.0007 163.8778 -3.1057 -12.0508 -179.0342 -159.6038 8.4165 5.4117 173.432 4.2001 -163.4111 -163.854 12.064 3.1101 179.0281 159.2262 -8.8286 -5.761 -173.8157 -4.2063 163.3906 -0.0005 175.8069 -175.8077 -0.0003 163.8542 -3.1093 -12.064 -179.0275 -159.2225 8.8273 5.764 173.8138 4.206 -163.3903 -163.8781 12.0504 3.1073 179.0359 159.6037 -8.4118 -5.4142 -173.4297 -4.2022 163.4109 0.0008 175.8137 -175.8131 -0.0001 163.8784 -3.1085 -12.0492 -179.0361 -159.6051 8.4209 5.4145 173.4405 4.2026 -163.4119 84.0233 -95.4115 -84.8408 95.7243 95.7383 -84.8302 -95.4026 84.0289 -179.2098 0.8758 0.2446 -179.6698 178.8306 1.2052 -0.6126 -178.238 0.2204 -179.8335 -179.8638 0.0822 -0.4722 116.677 -117.657 179.6125 -63.2382 62.4277 0.5348 -179.4314 178.14 -1.8263 -139.617 -21.655 94.6694 42.757 160.719 -82.9566 -0.3103 179.8047 179.7438 -0.1412 -0.0675 179.818 179.8991 -0.2153 -62.2243 62.6566 -179.7982 117.8939 -117.2252 0.32 178.8263 1.2011 -0.6136 -178.2388 -179.206 0.8775 0.2451 -179.6713 0.5355 -179.4301 178.1405 -1.8251 -139.6004 -21.6394 94.685 42.7737 160.7348 -82.9408 0.2207 -179.8347 -179.8615 0.0831 -0.4616 116.6876 -117.646 179.6211 -63.2297 62.4368 -0.0674 179.8183 179.8987 -0.2156 -0.3109 179.8039 179.7446 -0.1406 0.3193 117.8932 -117.2259 -179.7988 -62.2249 62.6561 52.6223 -68.2714 172.4507 -65.0475 174.0589 54.781 177.9697 57.076 -62.2019 -57.7892 -177.6923 62.2046 175.0764 55.1733 -64.9298 58.1562 -61.7469 178.15 -176.8394 63.1274 -57.5722 -59.5122 -179.5454 59.755 57.2435 -62.7897 176.5107 176.6899 57.4283 -63.2863 59.3271 -59.9345 179.3509 -57.429 -176.6906 62.5948 63.4648 -55.8981 -176.6397 -61.9688 178.6683 57.9267 -179.208 61.4291 -59.3124 -63.4593 176.6402 55.8984 61.9887 -57.9118 -178.6536 179.2351 59.3347 -61.4072 52.6253 -68.2678 172.4537 -65.044 174.063 54.7844 177.9733 57.0802 -62.1983 -57.7894 -177.6924 62.2043 175.0765 55.1736 -64.9298 58.1563 -61.7466 178.15 -176.8387 63.1285 -57.5715 -59.5113 -179.5441 59.7559 57.2442 -62.7886 176.5114 176.694 57.4321 -63.2822 59.3316 -59.9303 179.3554 -57.424 -176.6858 62.5998 63.4646 -55.8983 -176.6397 -179.2081 61.429 -59.3125 -61.969 178.6681 57.9266 -63.4594 176.6401 55.8983 179.2351 59.3345 -61.4072 61.9886 -57.9119 -178.6537 -0.2447 179.6702 179.2088 -0.8763 0.6128 178.2383 -178.8295 -1.204 -84.0196 84.8349 95.4143 -95.7312 -0.2208 179.8339 179.863 -0.0824 -116.6771 0.4719 117.6564 63.2386 -179.6124 -62.4279 -0.5347 179.431 -178.14 1.8258 21.6529 139.6147 -94.6713 -160.7211 -42.7593 82.9547 0.311 -179.8043 -179.7438 0.1409 0.067 -179.8183 -179.8992 0.2155 62.2237 179.7976 -62.6573 -117.8949 -0.321 117.2242 0.6141 178.2402 -178.8256 -1.1995 -0.2456 179.6725 179.2053 -0.8766 95.3997 -95.7365 -84.0315 84.8322 -0.5355 179.4298 -178.1414 1.8239 21.6342 139.595 -94.6902 -160.7391 -42.7783 82.9365 -0.2207 179.8354 179.8599 -0.0841 -116.6896 0.4602 117.6446 63.2293 -179.6208 -62.4365 0.0669 -179.8189 -179.8988 0.2154 0.3114 -179.8034 -179.7449 0.1404 -0.3202 117.225 -117.8941 179.7977 -62.6571 62.2239 -52.6227 -172.4512 68.2707 65.047 -54.7814 -174.0595 -177.9703 62.2013 -57.0768 57.7897 -62.2042 177.6925 -58.1557 -178.1496 61.7472 -175.0759 64.9302 -55.173 176.8407 57.5736 -63.1262 59.5138 -59.7533 179.5469 -57.2418 -176.5088 62.7913 -176.6908 63.2854 -57.4293 57.4275 -62.5962 176.6891 -59.3284 -179.3522 59.9331 -63.465 176.6395 55.898 179.2077 59.3122 -61.4293 61.9685 -57.927 -178.6685 63.4592 -55.8985 -176.6403 -61.9889 178.6535 57.9117 -179.2353 61.407 -59.3348 -52.6258 -172.4541 68.2671 65.0432 -54.7852 -174.064 -177.974 62.1976 -57.0812 57.7901 -62.2037 177.6928 -58.1557 -178.1496 61.7469 -175.076 64.9301 -55.1734 176.8398 57.5728 -63.1275 59.5116 -59.7554 179.5443 -57.2442 -176.5113 62.7884 -176.6961 63.2799 -57.4342 57.4222 -62.6017 176.6841 -59.3337 -179.3576 59.9282 63.4593 -55.8984 -176.6401 -179.2351 61.4072 -59.3345 -61.9887 178.6536 57.9119 -63.4649 176.6395 55.8981 179.2079 59.3123 -61.4292 61.9687 -57.9269 -178.6683 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate 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D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 2112 A 2112 A 3484 2112 16488.4977059506 184 1.00e+00 60 T Berny optimization. local minimum Step number 45 out of a maximum of 1050 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00104 0.00125 0.00247 0.00283 0.00299 0.00301 0.00302 0.00303 0.00303 0.00303 0.00303 0.00304 0.00304 0.00304 0.00304 0.00306 0.00306 0.00315 0.00318 0.00322 0.00324 0.00327 0.00335 0.00336 0.00338 0.00341 0.00367 0.00393 0.00415 0.00439 0.00455 0.00462 0.00469 0.00473 0.00514 0.00514 0.00520 0.00904 0.00948 0.00968 0.01043 0.01091 0.01102 0.01163 0.01270 0.01311 0.01348 0.01364 0.01370 0.01377 0.01392 0.01404 0.01444 0.01450 0.01473 0.01490 0.01507 0.01523 0.01532 0.01540 0.01558 0.01588 0.01614 0.01653 0.01666 0.01778 0.01811 0.01881 0.01922 0.01938 0.01968 0.01981 0.01992 0.02030 0.02039 0.02062 0.02070 0.02075 0.02078 0.02082 0.02090 0.02095 0.02107 0.02112 0.02135 0.02142 0.02143 0.02144 0.02147 0.02151 0.02156 0.02156 0.02162 0.02164 0.02174 0.02203 0.02293 0.02410 0.02513 0.02571 0.02897 0.03096 0.03365 0.03610 0.03616 0.03626 0.03667 0.03695 0.03705 0.03706 0.03710 0.03723 0.03752 0.03790 0.03863 0.04064 0.04397 0.04713 0.04746 0.04844 0.04844 0.04844 0.04849 0.04875 0.04882 0.04883 0.04915 0.04926 0.04950 0.04967 0.05045 0.05100 0.05382 0.05409 0.05433 0.05435 0.05437 0.05441 0.05459 0.05465 0.05466 0.05477 0.05479 0.05481 0.05483 0.05483 0.05483 0.05483 0.05483 0.05483 0.05487 0.05493 0.05510 0.05512 0.05517 0.05518 0.05518 0.05519 0.05519 0.05520 0.05525 0.05526 0.05526 0.05527 0.05532 0.05551 0.05552 0.05553 0.05560 0.05562 0.05563 0.05564 0.05570 0.05572 0.05576 0.05577 0.05577 0.05583 0.05592 0.05620 0.05698 0.05706 0.05706 0.05708 0.05721 0.05722 0.05727 0.05749 0.06045 0.06168 0.06424 0.06843 0.07616 0.13543 0.14363 0.15253 0.15616 0.15779 0.15906 0.15922 0.15942 0.15950 0.15953 0.15958 0.15967 0.15970 0.15975 0.15978 0.15984 0.15986 0.15993 0.15998 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16001 0.16001 0.16001 0.16002 0.16002 0.16004 0.16005 0.16007 0.16010 0.16014 0.16015 0.16017 0.16024 0.16026 0.16038 0.16040 0.16053 0.16057 0.16066 0.16080 0.16095 0.16118 0.16211 0.16221 0.16271 0.16371 0.16500 0.16750 0.16932 0.16941 0.16973 0.17028 0.17098 0.17125 0.17439 0.17529 0.17737 0.18180 0.18329 0.18368 0.18368 0.18375 0.18420 0.18476 0.18504 0.18556 0.18585 0.18599 0.18786 0.19787 0.21080 0.21975 0.22197 0.22209 0.22609 0.22695 0.22735 0.22937 0.23177 0.23461 0.23484 0.23485 0.23488 0.23523 0.23540 0.23545 0.23605 0.23725 0.23758 0.23785 0.23888 0.24065 0.24211 0.24374 0.24391 0.24496 0.24577 0.24725 0.24786 0.24832 0.24968 0.24971 0.24990 0.24997 0.24998 0.25001 0.25010 0.25038 0.25074 0.25105 0.25195 0.25243 0.25707 0.25998 0.26110 0.26275 0.27293 0.27429 0.27733 0.28572 0.28904 0.28909 0.28957 0.28961 0.28964 0.28965 0.28965 0.28967 0.28970 0.28970 0.28971 0.28979 0.29017 0.29042 0.29065 0.29067 0.29086 0.29111 0.29129 0.29137 0.29176 0.29189 0.29193 0.29258 0.29278 0.29352 0.29488 0.29561 0.29738 0.29750 0.29967 0.30034 0.30137 0.30140 0.30214 0.30227 0.30361 0.30428 0.30462 0.30462 0.30465 0.30486 0.30585 0.30686 0.30815 0.30838 0.30852 0.30902 0.31133 0.31460 0.32797 0.33823 0.33833 0.33833 0.33834 0.33887 0.33911 0.33926 0.33928 0.33929 0.33930 0.33930 0.33931 0.33935 0.33938 0.33940 0.33961 0.33991 0.33991 0.33991 0.33992 0.33992 0.33993 0.33993 0.33998 0.34000 0.34004 0.34006 0.34014 0.34031 0.34031 0.34031 0.34054 0.34064 0.34082 0.34106 0.34111 0.34116 0.34120 0.34126 0.34126 0.34129 0.34134 0.34143 0.34144 0.34147 0.34151 0.34153 0.34153 0.34154 0.34154 0.34155 0.34156 0.34165 0.34177 0.34216 0.34262 0.34270 0.34271 0.34271 0.34281 0.34311 0.34325 0.34325 0.34325 0.34326 0.34326 0.34326 0.34327 0.34348 0.34362 0.34363 0.34367 0.34370 0.34372 0.34396 0.34407 0.34418 0.34435 0.34445 0.34462 0.34466 0.34485 0.34509 0.34705 0.34858 0.34859 0.34860 0.34874 0.34894 0.34908 0.34910 0.34952 0.34974 0.35179 0.35180 0.35185 0.35195 0.35198 0.35207 0.35217 0.35471 0.38722 0.40759 0.40911 0.41012 0.41101 0.41664 0.41688 0.41707 0.41779 0.41813 0.42032 0.42520 0.42742 0.42878 0.43106 0.43905 0.44487 0.44682 0.44916 0.45217 0.45412 0.45587 0.45612 0.45755 0.45762 0.45824 0.45915 0.46087 0.46091 0.46099 0.46424 0.46567 0.46584 0.46616 0.47340 0.48027 0.50545 0.79395 -7.87440524e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 R106 R107 R108 R109 R110 R111 R112 R113 R114 R115 R116 R117 R118 R119 R120 R121 R122 R123 R124 R125 R126 R127 R128 R129 R130 R131 R132 R133 R134 R135 R136 R137 R138 R139 R140 R141 R142 R143 R144 R145 R146 R147 R148 R149 R150 R151 R152 R153 R154 R155 R156 R157 R158 R159 R160 R161 R162 R163 R164 R165 R166 R167 R168 R169 R170 R171 R172 R173 R174 R175 R176 R177 R178 R179 R180 R181 R182 R183 R184 R185 R186 R187 R188 R189 R190 R191 R192 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 A295 A296 A297 A298 A299 A300 A301 A302 A303 A304 A305 A306 A307 A308 A309 A310 A311 A312 A313 A314 A315 A316 A317 A318 A319 A320 A321 A322 A323 A324 A325 A326 A327 A328 A329 A330 A331 A332 A333 A334 A335 A336 A337 A338 A339 A340 A341 A342 A343 A344 A345 A346 A347 A348 A349 A350 A351 A352 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 D432 D433 D434 D435 D436 D437 D438 D439 D440 D441 D442 D443 D444 D445 D446 D447 D448 D449 D450 D451 D452 D453 D454 D455 D456 D457 D458 D459 D460 D461 D462 D463 D464 D465 D466 D467 D468 D469 D470 D471 D472 D473 D474 D475 D476 D477 D478 D479 D480 D481 D482 D483 D484 D485 D486 D487 D488 D489 D490 D491 D492 D493 D494 D495 D496 2.64812 2.92200 3.26709 2.65083 2.05175 2.64815 2.05175 2.92200 3.26710 2.64837 2.92167 3.26803 2.65028 2.05160 2.64838 2.05160 2.92165 3.26801 2.64811 2.92201 3.26709 2.65084 2.05175 2.64815 2.05175 2.92200 3.26710 2.64836 2.92168 3.26802 2.65030 2.05160 2.64837 2.05160 2.92167 3.26800 3.00410 3.00411 2.66242 2.65347 2.63648 2.88139 2.64075 2.87676 2.63648 2.05755 2.63252 2.05726 2.87000 2.65348 2.66242 2.64075 2.87677 2.63649 2.88139 2.63253 2.05725 2.63647 2.05755 2.87000 2.89621 2.07370 2.90022 2.06803 2.07132 2.07000 2.06769 2.07109 2.07249 2.06964 2.89855 2.89890 2.07016 2.07222 2.06729 2.07020 2.06735 2.07214 2.90025 2.90027 2.07496 2.07060 2.06768 2.07138 2.07060 2.07139 2.06767 2.89620 2.07370 2.90023 2.06803 2.07132 2.07000 2.06768 2.07110 2.07249 2.06964 2.89855 2.89890 2.07016 2.07222 2.06729 2.07020 2.06735 2.07214 2.07496 2.90024 2.90027 2.07060 2.06768 2.07138 2.07060 2.07139 2.06767 2.66241 2.65349 3.00410 2.63649 2.88139 2.64075 2.87676 2.63647 2.05755 2.63253 2.05725 2.87000 2.65347 2.66243 3.00411 2.64075 2.87676 2.63648 2.88139 2.63252 2.05726 2.63648 2.05755 2.87000 2.07370 2.89620 2.90023 2.06803 2.07000 2.07132 2.06768 2.07249 2.07110 2.89855 2.06964 2.89890 2.07016 2.06728 2.07222 2.07019 2.07214 2.06735 2.90025 2.07496 2.90027 2.07060 2.07138 2.06768 2.07061 2.06767 2.07139 2.07370 2.89620 2.90023 2.06803 2.07000 2.07132 2.06768 2.07249 2.07110 2.89855 2.06964 2.89890 2.07016 2.06729 2.07222 2.07020 2.07214 2.06735 2.07496 2.90027 2.90024 2.07061 2.06767 2.07139 2.07060 2.07138 2.06768 2.21651 1.88295 2.15673 1.99538 2.12234 2.16341 1.99538 2.16341 2.12233 2.21651 1.88293 2.15674 2.22089 1.88355 2.15492 1.99560 2.12226 2.16368 1.99560 2.16368 2.12225 2.22089 1.88354 2.15493 2.21649 1.88295 2.15673 1.99538 2.12234 2.16341 1.99538 2.16341 2.12234 2.21649 1.88293 2.15676 2.22088 1.88355 2.15492 1.99559 2.12226 2.16368 1.99559 2.16368 2.12225 2.22088 1.88355 2.15493 2.16307 2.04890 2.05548 2.16307 2.05545 2.04892 2.09115 2.11514 2.07682 2.09009 2.10742 2.08567 2.09285 2.08973 2.09997 2.12371 2.07863 2.08085 2.12193 2.08957 2.07169 2.06095 2.11410 2.10814 2.11517 2.09113 2.07681 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-1.00438 -1.03727 -3.13074 1.04950 0.99478 -1.09870 3.08154 3.08544 0.99876 -1.10456 1.03115 -1.05553 3.12433 -1.00113 -3.08781 1.09206 1.11335 -0.97511 -3.07980 -1.07406 3.12067 1.01598 -3.12255 1.07218 -1.03252 -1.11304 3.08008 0.97533 1.07457 -1.01549 -3.12024 3.12316 1.03309 -1.07166 0.93994 -1.16578 3.03346 -1.11608 3.06139 0.97745 3.12797 1.02225 -1.06170 -1.00377 -3.09908 1.08895 3.06649 0.97118 -1.12397 1.03157 -1.06374 3.12429 -3.09116 1.09855 -1.00439 -1.03729 -3.13076 1.04948 0.99475 -1.09873 3.08152 3.08540 0.99872 -1.10461 1.03109 -1.05559 3.12427 -1.00118 -3.08786 1.09200 1.11336 -0.97510 -3.07980 -3.12254 1.07219 -1.03251 -1.07404 3.12068 1.01599 -1.11303 3.08008 0.97533 3.12317 1.03310 -1.07165 1.07459 -1.01548 -3.12023 -0.00001 -3.14055 3.12912 -0.01142 0.00572 3.10893 -3.12323 -0.02002 -1.49304 1.46639 1.63580 -1.68795 -0.00473 3.13850 3.13583 -0.00413 -2.03607 0.00916 2.05460 1.10658 -3.13138 -1.08594 -0.00699 3.13234 -3.10998 0.02936 0.27881 2.33113 -1.75690 -2.90132 -0.84900 1.34615 0.00357 -3.13828 -3.13965 0.00168 0.00232 -3.13901 -3.13704 0.00481 1.08764 3.13950 -1.09221 -2.05421 -0.00236 2.04911 0.00572 3.10894 -3.12322 -0.02000 -0.00001 -3.14054 3.12911 -0.01142 1.63576 -1.68796 -1.49307 1.46640 -0.00700 3.13234 -3.10998 0.02935 0.27874 2.33105 -1.75698 -2.90139 -0.84908 1.34608 -0.00473 3.13850 3.13582 -0.00414 -2.03607 0.00916 2.05459 1.10658 -3.13138 -1.08594 0.00232 -3.13901 -3.13703 0.00482 0.00357 -3.13828 -3.13965 0.00168 -0.00238 2.04909 -2.05423 3.13949 -1.09223 1.08763 -0.93999 -3.03351 1.16571 1.11602 -0.97750 -3.06146 -3.12803 1.06164 -1.02232 1.00376 -1.08896 3.09907 -1.03159 -3.12431 1.06372 -3.06651 1.12396 -0.97120 3.09105 1.00428 -1.09866 1.03717 -1.04959 3.13065 -0.99486 -3.08162 1.09862 -3.08560 1.10442 -0.99891 1.00098 -1.09218 3.08767 -1.03130 -3.12446 1.05539 -1.11337 3.07978 0.97509 3.12253 1.03250 -1.07220 1.07404 -1.01600 -3.12069 1.11302 -0.97535 -3.08010 -1.07459 3.12023 1.01548 -3.12317 1.07164 -1.03311 -0.94001 -3.03353 1.16569 1.11600 -0.97752 -3.06148 -3.12804 1.06162 -1.02234 1.00376 -1.08896 3.09906 -1.03159 -3.12431 1.06371 -3.06651 1.12395 -0.97121 3.09103 1.00426 -1.09867 1.03716 -1.04961 3.13064 -0.99488 -3.08164 1.09860 -3.08559 1.10443 -0.99890 1.00099 -1.09218 3.08768 -1.03129 -3.12445 1.05540 1.11302 -0.97535 -3.08010 -3.12318 1.07164 -1.03311 -1.07459 3.12022 1.01547 -1.11337 3.07978 0.97509 3.12253 1.03249 -1.07220 1.07403 -1.01600 -3.12069 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000009 0.000001 0.001309 0.000237 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -7.902786e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 R106 R107 R108 R109 R110 R111 R112 R113 R114 R115 R116 R117 R118 R119 R120 R121 R122 R123 R124 R125 R126 R127 R128 R129 R130 R131 R132 R133 R134 R135 R136 R137 R138 R139 R140 R141 R142 R143 R144 R145 R146 R147 R148 R149 R150 R151 R152 R153 R154 R155 R156 R157 R158 R159 R160 R161 R162 R163 R164 R165 R166 R167 R168 R169 R170 R171 R172 R173 R174 R175 R176 R177 R178 R179 R180 R181 R182 R183 R184 R185 R186 R187 R188 R189 R190 R191 R192 1 1 1 2 2 3 3 4 4 5 5 5 6 6 7 7 8 8 9 9 9 10 10 11 11 12 12 13 13 13 14 14 15 15 16 16 25 26 27 27 28 28 29 29 30 30 31 31 32 35 35 36 36 37 37 38 38 39 39 40 43 43 43 44 44 44 46 46 46 47 47 47 49 49 49 50 50 50 51 51 51 52 52 52 53 53 53 55 55 55 56 56 56 58 58 58 59 59 59 61 61 61 62 62 62 63 63 63 65 65 65 66 66 66 67 67 67 68 68 69 69 70 70 71 71 72 75 75 75 76 76 77 77 78 78 79 79 80 83 83 83 85 85 85 86 86 86 87 87 87 88 88 88 90 90 90 91 91 91 92 92 92 94 94 94 95 95 95 97 97 97 98 98 98 99 99 99 100 100 100 102 102 102 103 103 103 105 105 105 106 106 106 2 25 112 3 17 4 18 108 112 6 108 111 7 19 8 20 26 111 10 26 110 11 21 12 22 107 110 14 107 109 15 23 16 24 25 109 27 35 28 29 30 47 31 43 32 33 32 34 51 36 37 38 55 39 59 40 41 40 42 63 44 45 46 182 183 184 179 180 181 48 49 50 173 174 175 176 177 178 52 53 54 167 168 169 170 171 172 56 57 58 131 132 133 128 129 130 60 61 62 146 147 148 119 120 121 64 65 66 116 117 118 113 114 115 68 69 107 70 87 71 83 72 73 72 74 91 76 77 108 78 95 79 99 80 81 80 82 103 84 85 86 134 135 136 137 138 139 88 89 90 125 126 127 122 123 124 92 93 94 143 144 145 140 141 142 96 97 98 158 159 160 155 156 157 100 101 102 152 153 154 149 150 151 104 105 106 164 165 166 161 162 163 1.4013 1.5463 1.7289 1.4028 1.0857 1.4013 1.0857 1.5463 1.7289 1.4015 1.5461 1.7294 1.4025 1.0857 1.4015 1.0857 1.5461 1.7294 1.4013 1.5463 1.7289 1.4028 1.0857 1.4013 1.0857 1.5463 1.7289 1.4015 1.5461 1.7294 1.4025 1.0857 1.4015 1.0857 1.5461 1.7294 1.5897 1.5897 1.4089 1.4042 1.3952 1.5248 1.3974 1.5223 1.3952 1.0888 1.3931 1.0887 1.5187 1.4042 1.4089 1.3974 1.5223 1.3952 1.5248 1.3931 1.0887 1.3952 1.0888 1.5187 1.5326 1.0974 1.5347 1.0944 1.0961 1.0954 1.0942 1.096 1.0967 1.0952 1.5338 1.534 1.0955 1.0966 1.094 1.0955 1.094 1.0965 1.5347 1.5348 1.098 1.0957 1.0942 1.0961 1.0957 1.0961 1.0942 1.5326 1.0974 1.5347 1.0944 1.0961 1.0954 1.0942 1.096 1.0967 1.0952 1.5338 1.534 1.0955 1.0966 1.094 1.0955 1.094 1.0965 1.098 1.5347 1.5348 1.0957 1.0942 1.0961 1.0957 1.0961 1.0942 1.4089 1.4042 1.5897 1.3952 1.5248 1.3974 1.5223 1.3952 1.0888 1.3931 1.0887 1.5187 1.4042 1.4089 1.5897 1.3974 1.5223 1.3952 1.5248 1.3931 1.0887 1.3952 1.0888 1.5187 1.0974 1.5326 1.5347 1.0944 1.0954 1.0961 1.0942 1.0967 1.096 1.5338 1.0952 1.534 1.0955 1.094 1.0966 1.0955 1.0965 1.094 1.5347 1.098 1.5348 1.0957 1.0961 1.0942 1.0957 1.0942 1.0961 1.0974 1.5326 1.5347 1.0944 1.0954 1.0961 1.0942 1.0967 1.096 1.5338 1.0952 1.534 1.0955 1.094 1.0966 1.0955 1.0965 1.094 1.098 1.5348 1.5347 1.0957 1.0942 1.0961 1.0957 1.0961 1.0942 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 A295 A296 A297 A298 A299 A300 A301 A302 A303 A304 A305 A306 A307 A308 A309 A310 A311 A312 A313 A314 A315 A316 A317 A318 A319 A320 A321 A322 A323 A324 A325 A326 A327 A328 A329 A330 A331 A332 A333 A334 A335 A336 A337 A338 A339 A340 A341 A342 A343 A344 A345 A346 A347 A348 A349 A350 A351 A352 2 2 25 1 1 3 2 2 4 3 3 108 6 6 108 5 5 7 6 6 8 7 7 26 10 10 26 9 9 11 10 10 12 11 11 107 14 14 107 13 13 15 14 14 16 15 15 25 1 1 16 8 8 9 25 25 28 27 27 30 27 27 31 28 28 32 29 29 32 30 30 31 26 26 36 35 35 38 35 35 39 36 36 40 37 37 40 38 38 39 29 29 29 44 44 45 43 43 43 182 182 183 43 43 43 179 179 180 28 28 28 48 48 49 47 47 47 173 173 174 47 47 47 176 176 177 32 32 32 52 52 53 51 51 51 167 167 168 51 51 51 170 170 171 36 36 36 56 56 57 55 55 55 131 131 132 55 55 55 128 128 129 37 37 37 60 60 61 59 59 59 146 146 147 59 59 59 119 119 120 40 40 40 64 64 65 63 63 63 116 116 117 63 63 63 113 113 114 68 68 69 67 67 70 67 67 71 68 68 72 69 69 72 70 70 71 76 76 77 75 75 78 75 75 79 76 76 80 77 77 80 78 78 79 69 69 69 84 84 85 83 83 83 134 134 135 83 83 83 137 137 138 68 68 68 88 88 89 87 87 87 125 125 126 87 87 87 122 122 123 72 72 72 92 92 93 91 91 91 143 143 144 91 91 91 140 140 141 76 76 76 96 96 97 95 95 95 158 158 159 95 95 95 155 155 156 77 77 77 100 100 101 99 99 99 152 152 153 99 99 99 149 149 150 80 80 80 104 104 105 103 103 103 164 164 165 103 103 103 161 161 162 12 12 13 4 4 5 13 9 5 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 31 32 32 32 35 35 35 36 36 36 37 37 37 38 38 38 39 39 39 40 40 40 43 43 43 43 43 43 44 44 44 44 44 44 46 46 46 46 46 46 47 47 47 47 47 47 49 49 49 49 49 49 50 50 50 50 50 50 51 51 51 51 51 51 52 52 52 52 52 52 53 53 53 53 53 53 55 55 55 55 55 55 56 56 56 56 56 56 58 58 58 58 58 58 59 59 59 59 59 59 61 61 61 61 61 61 62 62 62 62 62 62 63 63 63 63 63 63 65 65 65 65 65 65 66 66 66 66 66 66 67 67 67 68 68 68 69 69 69 70 70 70 71 71 71 72 72 72 75 75 75 76 76 76 77 77 77 78 78 78 79 79 79 80 80 80 83 83 83 83 83 83 85 85 85 85 85 85 86 86 86 86 86 86 87 87 87 87 87 87 88 88 88 88 88 88 90 90 90 90 90 90 91 91 91 91 91 91 92 92 92 92 92 92 94 94 94 94 94 94 95 95 95 95 95 95 97 97 97 97 97 97 98 98 98 98 98 98 99 99 99 99 99 99 100 100 100 100 100 100 102 102 102 102 102 102 103 103 103 103 103 103 105 105 105 105 105 105 106 106 106 106 106 106 107 107 107 108 108 108 109 110 111 112 25 112 112 3 17 17 4 18 18 108 112 112 108 111 111 7 19 19 8 20 20 26 111 111 26 110 110 11 21 21 12 22 22 107 110 110 107 109 109 15 23 23 16 24 24 25 109 109 16 27 27 9 35 35 28 29 29 30 47 47 31 43 43 32 33 33 32 34 34 31 51 51 36 37 37 38 55 55 39 59 59 40 41 41 40 42 42 39 63 63 44 45 46 45 46 46 182 183 184 183 184 184 179 180 181 180 181 181 48 49 50 49 50 50 173 174 175 174 175 175 176 177 178 177 178 178 52 53 54 53 54 54 167 168 169 168 169 169 170 171 172 171 172 172 56 57 58 57 58 58 131 132 133 132 133 133 128 129 130 129 130 130 60 61 62 61 62 62 146 147 148 147 148 148 119 120 121 120 121 121 64 65 66 65 66 66 116 117 118 117 118 118 113 114 115 114 115 115 69 107 107 70 87 87 71 83 83 72 73 73 72 74 74 71 91 91 77 108 108 78 95 95 79 99 99 80 81 81 80 82 82 79 103 103 84 85 86 85 86 86 134 135 136 135 136 136 137 138 139 138 139 139 88 89 90 89 90 90 125 126 127 126 127 127 122 123 124 123 124 124 92 93 94 93 94 94 143 144 145 144 145 145 140 141 142 141 142 142 96 97 98 97 98 98 158 159 160 159 160 160 155 156 157 156 157 157 100 101 102 101 102 102 152 153 154 153 154 154 149 150 151 150 151 151 104 105 106 105 106 106 164 165 166 165 166 166 161 162 163 162 163 163 13 67 67 5 75 75 16 12 8 4 126.9965 107.885 123.5714 114.3268 121.6009 123.9542 114.3269 123.9542 121.6008 126.9969 107.8841 123.5719 127.2477 107.9194 123.4678 114.3392 121.5963 123.9699 114.3395 123.9699 121.596 127.2479 107.9191 123.4686 126.9956 107.885 123.5717 114.3269 121.6009 123.9541 114.3269 123.9541 121.601 126.9954 107.8842 123.573 127.247 107.9195 123.4681 114.339 121.5964 123.97 114.3391 123.97 121.5962 127.2472 107.9195 123.4686 123.9347 117.3933 117.7702 123.9346 117.7689 117.3946 119.8143 121.1888 118.9929 119.7536 120.746 119.5003 119.9113 119.7326 120.3194 121.6794 119.0968 119.2238 121.5778 119.7233 118.6988 118.0836 121.1289 120.7875 121.1902 119.8131 118.9927 119.9113 119.7304 120.3215 119.7537 120.7466 119.4996 121.5779 119.7235 118.6985 121.6793 119.0968 119.2238 118.0836 120.7873 121.1291 113.1875 107.2231 110.609 106.8591 111.3703 107.2546 110.9645 111.7156 110.2455 108.0492 108.2752 107.4516 110.6142 110.8263 110.6237 108.235 108.2231 108.2242 107.7428 111.7764 111.8409 106.918 106.8971 111.3483 110.4811 111.3549 110.7945 107.9461 107.9304 108.2097 110.4528 110.8231 111.4065 107.9266 107.9219 108.183 111.7185 111.6968 107.131 110.9178 107.5659 107.5573 110.9124 110.9513 110.8254 107.7016 107.8392 108.486 110.8957 110.8331 110.9464 107.8455 107.7087 108.4871 113.1917 107.2219 110.6072 106.8591 111.3678 107.256 110.9661 111.7165 110.2441 108.0494 108.2751 107.4503 110.6152 110.8264 110.6218 108.2348 108.2235 108.2247 107.7431 111.7753 111.8418 106.9183 106.8968 111.3481 110.481 111.3546 110.7944 107.9463 107.9306 108.2099 110.4524 110.8232 111.4071 107.9268 107.9216 108.1828 107.1309 111.7191 111.6964 107.5658 107.5574 110.9178 110.9126 110.9514 110.8253 107.7016 107.839 108.486 110.8954 110.8332 110.9464 107.8457 107.7086 108.4871 118.993 119.8136 121.1895 119.7538 120.7459 119.5003 119.911 119.731 120.3212 121.6792 119.0966 119.2241 121.5779 119.7237 118.6983 118.0837 121.1293 120.787 118.9927 121.192 119.8113 119.9113 119.7309 120.3209 119.7537 120.7463 119.4999 121.5778 119.7235 118.6986 121.6793 119.0967 119.2239 118.0836 120.7872 121.1292 107.2224 113.1912 110.607 106.8588 107.2555 111.3686 110.9656 110.2445 111.7164 108.2751 108.0494 107.4506 110.6153 110.6222 110.8264 108.223 108.2349 108.2247 111.775 107.743 111.8427 106.919 111.3475 106.8962 110.4817 110.7946 111.3537 107.9302 107.9468 108.2098 110.4513 111.4072 110.8239 107.9209 107.9276 108.183 111.7179 107.1308 111.6976 107.5661 110.9177 107.5572 110.912 110.8258 110.9512 107.8392 107.7016 108.4859 110.896 110.9465 110.8325 107.7087 107.8453 108.4873 107.2222 113.1906 110.6074 106.8591 107.2556 111.3688 110.9654 110.2447 111.7163 108.275 108.0493 107.4507 110.6151 110.6225 110.8265 108.2229 108.2349 108.2246 111.7749 107.7431 111.8423 106.919 111.348 106.8963 110.4814 110.7943 111.3541 107.9305 107.9467 108.2098 110.4514 111.4074 110.8237 107.9211 107.9272 108.1831 107.1308 111.6975 111.7181 107.5573 107.5661 110.9176 110.896 110.9465 110.8326 107.7087 107.8454 108.4873 110.9121 110.8258 110.9512 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D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 D432 D433 D434 D435 D436 D437 D438 D439 D440 D441 D442 D443 D444 D445 D446 D447 D448 D449 D450 D451 D452 D453 D454 D455 D456 D457 D458 D459 D460 D461 D462 D463 D464 D465 D466 D467 D468 D469 D470 D471 D472 D473 D474 D475 D476 D477 D478 D479 D480 D481 D482 D483 D484 D485 D486 D487 D488 D489 D490 D491 D492 D493 D494 D495 25 25 112 112 2 2 112 112 2 25 1 1 17 17 2 2 18 18 3 3 112 112 3 108 108 108 111 111 6 6 111 111 6 108 5 5 19 19 6 6 20 20 7 7 111 111 7 26 26 26 110 110 10 10 110 110 10 26 9 9 21 21 10 10 22 22 11 11 110 110 11 107 107 107 109 109 14 14 109 109 14 107 13 13 23 23 14 14 24 24 15 15 109 109 15 25 1 1 16 16 8 8 9 9 25 25 29 29 25 25 28 28 27 27 47 47 27 27 27 30 30 30 27 27 43 43 27 27 27 31 31 31 28 28 33 33 29 29 34 34 30 30 30 31 31 31 26 26 37 37 26 26 36 36 35 35 55 55 35 35 35 38 38 38 35 35 59 59 35 35 35 39 39 39 36 36 41 41 37 37 42 42 38 38 38 39 39 39 29 29 29 45 45 45 46 46 46 29 29 29 44 44 44 45 45 45 28 28 28 48 48 48 50 50 50 28 28 28 48 48 48 49 49 49 32 32 32 53 53 53 54 54 54 32 32 32 52 52 52 54 54 54 36 36 36 57 57 57 58 58 58 36 36 36 56 56 56 57 57 57 37 37 37 60 60 60 62 62 62 37 37 37 60 60 60 61 61 61 40 40 40 64 64 64 66 66 66 40 40 40 64 64 64 65 65 65 69 69 107 107 68 68 107 107 68 68 69 69 67 67 87 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39 59 39 59 40 41 40 41 56 57 58 56 57 58 40 42 40 42 60 61 62 60 61 62 39 63 39 63 38 63 38 63 64 65 66 64 65 66 182 183 184 182 183 184 182 183 184 179 180 181 179 180 181 179 180 181 173 174 175 173 174 175 173 174 175 176 177 178 176 177 178 176 177 178 167 168 169 167 168 169 167 168 169 170 171 172 170 171 172 170 171 172 131 132 133 131 132 133 131 132 133 128 129 130 128 129 130 128 129 130 146 147 148 146 147 148 146 147 148 119 120 121 119 120 121 119 120 121 116 117 118 116 117 118 116 117 118 113 114 115 113 114 115 113 114 115 70 87 70 87 71 83 71 83 12 13 12 13 72 73 72 73 88 89 90 88 89 90 72 74 72 74 84 85 86 84 85 86 71 91 71 91 70 91 70 91 92 93 94 92 93 94 78 95 78 95 79 99 79 99 4 5 4 5 80 81 80 81 96 97 98 96 97 98 80 82 80 82 100 101 102 100 101 102 79 103 79 103 78 103 78 103 104 105 106 104 105 106 134 135 136 134 135 136 134 135 136 137 138 139 137 138 139 137 138 139 125 126 127 125 126 127 125 126 127 122 123 124 122 123 124 122 123 124 143 144 145 143 144 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164.7042 -2.1959 -11.8912 -178.7913 -162.5173 6.3086 2.5004 171.3262 2.9722 -164.537 85.5543 -93.7105 -84.0124 96.7228 96.7124 -84.0188 -93.7214 85.5474 -179.2827 0.6496 -0.0017 179.9306 178.9438 1.1405 -0.3269 -178.1302 0.272 -179.8239 -179.6612 0.243 -0.5132 116.6701 -117.7074 179.4193 -63.3974 62.225 0.4023 -179.4685 178.1925 -1.6783 -133.5233 -15.936 100.7019 48.6825 166.2698 -77.0923 -0.2035 179.8104 179.8925 -0.0936 -0.1357 179.8505 179.7364 -0.2774 -62.3208 62.5759 -179.8836 117.6935 -117.4098 0.1306 178.9481 1.1485 -0.3266 -178.1262 -179.2878 0.6509 -0.0029 179.9358 0.4028 -179.4691 178.1892 -1.6827 -133.569 -15.98 100.6578 48.6406 166.2296 -77.1326 0.2732 -179.8208 -179.6662 0.2397 -0.5208 116.6624 -117.7155 179.418 -63.3988 62.2233 -0.1361 179.8486 179.7371 -0.2782 -0.2039 179.8114 179.8903 -0.0944 0.1363 117.6993 -117.404 -179.8794 -62.3164 62.5803 53.8665 -66.78 173.8164 -63.9334 175.4201 56.0165 179.2328 58.5863 -60.8173 -57.5124 -177.5638 62.392 175.6986 55.6472 -64.397 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0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1084.3172000000013 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Freq Redundant internal coordinates found in file. (old form). Charge = -1 Multiplicity = 2 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 R106 R107 R108 R109 R110 R111 R112 R113 R114 R115 R116 R117 R118 R119 R120 R121 R122 R123 R124 R125 R126 R127 R128 R129 R130 R131 R132 R133 R134 R135 R136 R137 R138 R139 R140 R141 R142 R143 R144 R145 R146 R147 R148 R149 R150 R151 R152 R153 R154 R155 R156 R157 R158 R159 R160 R161 R162 R163 R164 R165 R166 R167 R168 R169 R170 R171 R172 R173 R174 R175 R176 R177 R178 R179 R180 R181 R182 R183 R184 R185 R186 R187 R188 R189 R190 R191 R192 1 1 1 2 2 3 3 4 4 5 5 5 6 6 7 7 8 8 9 9 9 10 10 11 11 12 12 13 13 13 14 14 15 15 16 16 25 26 27 27 28 28 29 29 30 30 31 31 32 35 35 36 36 37 37 38 38 39 39 40 43 43 43 44 44 44 46 46 46 47 47 47 49 49 49 50 50 50 51 51 51 52 52 52 53 53 53 55 55 55 56 56 56 58 58 58 59 59 59 61 61 61 62 62 62 63 63 63 65 65 65 66 66 66 67 67 67 68 68 69 69 70 70 71 71 72 75 75 75 76 76 77 77 78 78 79 79 80 83 83 83 85 85 85 86 86 86 87 87 87 88 88 88 90 90 90 91 91 91 92 92 92 94 94 94 95 95 95 97 97 97 98 98 98 99 99 99 100 100 100 102 102 102 103 103 103 105 105 105 106 106 106 2 25 112 3 17 4 18 108 112 6 108 111 7 19 8 20 26 111 10 26 110 11 21 12 22 107 110 14 107 109 15 23 16 24 25 109 27 35 28 29 30 47 31 43 32 33 32 34 51 36 37 38 55 39 59 40 41 40 42 63 44 45 46 182 183 184 179 180 181 48 49 50 173 174 175 176 177 178 52 53 54 167 168 169 170 171 172 56 57 58 131 132 133 128 129 130 60 61 62 146 147 148 119 120 121 64 65 66 116 117 118 113 114 115 68 69 107 70 87 71 83 72 73 72 74 91 76 77 108 78 95 79 99 80 81 80 82 103 84 85 86 134 135 136 137 138 139 88 89 90 125 126 127 122 123 124 92 93 94 143 144 145 140 141 142 96 97 98 158 159 160 155 156 157 100 101 102 152 153 154 149 150 151 104 105 106 164 165 166 161 162 163 1.4013 1.5463 1.7289 1.4028 1.0857 1.4013 1.0857 1.5463 1.7289 1.4015 1.5461 1.7294 1.4025 1.0857 1.4015 1.0857 1.5461 1.7294 1.4013 1.5463 1.7289 1.4028 1.0857 1.4013 1.0857 1.5463 1.7289 1.4015 1.5461 1.7294 1.4025 1.0857 1.4015 1.0857 1.5461 1.7294 1.5897 1.5897 1.4089 1.4042 1.3952 1.5248 1.3974 1.5223 1.3952 1.0888 1.3931 1.0887 1.5187 1.4042 1.4089 1.3974 1.5223 1.3952 1.5248 1.3931 1.0887 1.3952 1.0888 1.5187 1.5326 1.0974 1.5347 1.0944 1.0961 1.0954 1.0942 1.096 1.0967 1.0952 1.5338 1.534 1.0955 1.0966 1.094 1.0955 1.094 1.0965 1.5347 1.5348 1.098 1.0957 1.0942 1.0961 1.0957 1.0961 1.0942 1.5326 1.0974 1.5347 1.0944 1.0961 1.0954 1.0942 1.096 1.0967 1.0952 1.5338 1.534 1.0955 1.0966 1.094 1.0955 1.094 1.0965 1.098 1.5347 1.5348 1.0957 1.0942 1.0961 1.0957 1.0961 1.0942 1.4089 1.4042 1.5897 1.3952 1.5248 1.3974 1.5223 1.3952 1.0888 1.3931 1.0887 1.5187 1.4042 1.4089 1.5897 1.3974 1.5223 1.3952 1.5248 1.3931 1.0887 1.3952 1.0888 1.5187 1.0974 1.5326 1.5347 1.0944 1.0954 1.0961 1.0942 1.0967 1.096 1.5338 1.0952 1.534 1.0955 1.094 1.0966 1.0955 1.0965 1.094 1.5347 1.098 1.5348 1.0957 1.0961 1.0942 1.0957 1.0942 1.0961 1.0974 1.5326 1.5347 1.0944 1.0954 1.0961 1.0942 1.0967 1.096 1.5338 1.0952 1.534 1.0955 1.094 1.0966 1.0955 1.0965 1.094 1.098 1.5348 1.5347 1.0957 1.0942 1.0961 1.0957 1.0961 1.0942 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 A295 A296 A297 A298 A299 A300 A301 A302 A303 A304 A305 A306 A307 A308 A309 A310 A311 A312 A313 A314 A315 A316 A317 A318 A319 A320 A321 A322 A323 A324 A325 A326 A327 A328 A329 A330 A331 A332 A333 A334 A335 A336 A337 A338 A339 A340 A341 A342 A343 A344 A345 A346 A347 A348 A349 A350 A351 A352 2 2 25 1 1 3 2 2 4 3 3 108 6 6 108 5 5 7 6 6 8 7 7 26 10 10 26 9 9 11 10 10 12 11 11 107 14 14 107 13 13 15 14 14 16 15 15 25 1 1 16 8 8 9 25 25 28 27 27 30 27 27 31 28 28 32 29 29 32 30 30 31 26 26 36 35 35 38 35 35 39 36 36 40 37 37 40 38 38 39 29 29 29 44 44 45 43 43 43 182 182 183 43 43 43 179 179 180 28 28 28 48 48 49 47 47 47 173 173 174 47 47 47 176 176 177 32 32 32 52 52 53 51 51 51 167 167 168 51 51 51 170 170 171 36 36 36 56 56 57 55 55 55 131 131 132 55 55 55 128 128 129 37 37 37 60 60 61 59 59 59 146 146 147 59 59 59 119 119 120 40 40 40 64 64 65 63 63 63 116 116 117 63 63 63 113 113 114 68 68 69 67 67 70 67 67 71 68 68 72 69 69 72 70 70 71 76 76 77 75 75 78 75 75 79 76 76 80 77 77 80 78 78 79 69 69 69 84 84 85 83 83 83 134 134 135 83 83 83 137 137 138 68 68 68 88 88 89 87 87 87 125 125 126 87 87 87 122 122 123 72 72 72 92 92 93 91 91 91 143 143 144 91 91 91 140 140 141 76 76 76 96 96 97 95 95 95 158 158 159 95 95 95 155 155 156 77 77 77 100 100 101 99 99 99 152 152 153 99 99 99 149 149 150 80 80 80 104 104 105 103 103 103 164 164 165 103 103 103 161 161 162 12 12 13 4 4 5 13 9 5 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 31 32 32 32 35 35 35 36 36 36 37 37 37 38 38 38 39 39 39 40 40 40 43 43 43 43 43 43 44 44 44 44 44 44 46 46 46 46 46 46 47 47 47 47 47 47 49 49 49 49 49 49 50 50 50 50 50 50 51 51 51 51 51 51 52 52 52 52 52 52 53 53 53 53 53 53 55 55 55 55 55 55 56 56 56 56 56 56 58 58 58 58 58 58 59 59 59 59 59 59 61 61 61 61 61 61 62 62 62 62 62 62 63 63 63 63 63 63 65 65 65 65 65 65 66 66 66 66 66 66 67 67 67 68 68 68 69 69 69 70 70 70 71 71 71 72 72 72 75 75 75 76 76 76 77 77 77 78 78 78 79 79 79 80 80 80 83 83 83 83 83 83 85 85 85 85 85 85 86 86 86 86 86 86 87 87 87 87 87 87 88 88 88 88 88 88 90 90 90 90 90 90 91 91 91 91 91 91 92 92 92 92 92 92 94 94 94 94 94 94 95 95 95 95 95 95 97 97 97 97 97 97 98 98 98 98 98 98 99 99 99 99 99 99 100 100 100 100 100 100 102 102 102 102 102 102 103 103 103 103 103 103 105 105 105 105 105 105 106 106 106 106 106 106 107 107 107 108 108 108 109 110 111 112 25 112 112 3 17 17 4 18 18 108 112 112 108 111 111 7 19 19 8 20 20 26 111 111 26 110 110 11 21 21 12 22 22 107 110 110 107 109 109 15 23 23 16 24 24 25 109 109 16 27 27 9 35 35 28 29 29 30 47 47 31 43 43 32 33 33 32 34 34 31 51 51 36 37 37 38 55 55 39 59 59 40 41 41 40 42 42 39 63 63 44 45 46 45 46 46 182 183 184 183 184 184 179 180 181 180 181 181 48 49 50 49 50 50 173 174 175 174 175 175 176 177 178 177 178 178 52 53 54 53 54 54 167 168 169 168 169 169 170 171 172 171 172 172 56 57 58 57 58 58 131 132 133 132 133 133 128 129 130 129 130 130 60 61 62 61 62 62 146 147 148 147 148 148 119 120 121 120 121 121 64 65 66 65 66 66 116 117 118 117 118 118 113 114 115 114 115 115 69 107 107 70 87 87 71 83 83 72 73 73 72 74 74 71 91 91 77 108 108 78 95 95 79 99 99 80 81 81 80 82 82 79 103 103 84 85 86 85 86 86 134 135 136 135 136 136 137 138 139 138 139 139 88 89 90 89 90 90 125 126 127 126 127 127 122 123 124 123 124 124 92 93 94 93 94 94 143 144 145 144 145 145 140 141 142 141 142 142 96 97 98 97 98 98 158 159 160 159 160 160 155 156 157 156 157 157 100 101 102 101 102 102 152 153 154 153 154 154 149 150 151 150 151 151 104 105 106 105 106 106 164 165 166 165 166 166 161 162 163 162 163 163 13 67 67 5 75 75 16 12 8 4 126.9965 107.885 123.5714 114.3268 121.6009 123.9542 114.3269 123.9542 121.6008 126.9969 107.8841 123.5719 127.2477 107.9194 123.4678 114.3392 121.5963 123.9699 114.3395 123.9699 121.596 127.2479 107.9191 123.4686 126.9956 107.885 123.5717 114.3269 121.6009 123.9541 114.3269 123.9541 121.601 126.9954 107.8842 123.573 127.247 107.9195 123.4681 114.339 121.5964 123.97 114.3391 123.97 121.5962 127.2472 107.9195 123.4686 123.9347 117.3933 117.7702 123.9346 117.7689 117.3946 119.8143 121.1888 118.9929 119.7536 120.746 119.5003 119.9113 119.7326 120.3194 121.6794 119.0968 119.2238 121.5778 119.7233 118.6988 118.0836 121.1289 120.7875 121.1902 119.8131 118.9927 119.9113 119.7304 120.3215 119.7537 120.7466 119.4996 121.5779 119.7235 118.6985 121.6793 119.0968 119.2238 118.0836 120.7873 121.1291 113.1875 107.2231 110.609 106.8591 111.3703 107.2546 110.9645 111.7156 110.2455 108.0492 108.2752 107.4516 110.6142 110.8263 110.6237 108.235 108.2231 108.2242 107.7428 111.7764 111.8409 106.918 106.8971 111.3483 110.4811 111.3549 110.7945 107.9461 107.9304 108.2097 110.4528 110.8231 111.4065 107.9266 107.9219 108.183 111.7185 111.6968 107.131 110.9178 107.5659 107.5573 110.9124 110.9513 110.8254 107.7016 107.8392 108.486 110.8957 110.8331 110.9464 107.8455 107.7087 108.4871 113.1917 107.2219 110.6072 106.8591 111.3678 107.256 110.9661 111.7165 110.2441 108.0494 108.2751 107.4503 110.6152 110.8264 110.6218 108.2348 108.2235 108.2247 107.7431 111.7753 111.8418 106.9183 106.8968 111.3481 110.481 111.3546 110.7944 107.9463 107.9306 108.2099 110.4524 110.8232 111.4071 107.9268 107.9216 108.1828 107.1309 111.7191 111.6964 107.5658 107.5574 110.9178 110.9126 110.9514 110.8253 107.7016 107.839 108.486 110.8954 110.8332 110.9464 107.8457 107.7086 108.4871 118.993 119.8136 121.1895 119.7538 120.7459 119.5003 119.911 119.731 120.3212 121.6792 119.0966 119.2241 121.5779 119.7237 118.6983 118.0837 121.1293 120.787 118.9927 121.192 119.8113 119.9113 119.7309 120.3209 119.7537 120.7463 119.4999 121.5778 119.7235 118.6986 121.6793 119.0967 119.2239 118.0836 120.7872 121.1292 107.2224 113.1912 110.607 106.8588 107.2555 111.3686 110.9656 110.2445 111.7164 108.2751 108.0494 107.4506 110.6153 110.6222 110.8264 108.223 108.2349 108.2247 111.775 107.743 111.8427 106.919 111.3475 106.8962 110.4817 110.7946 111.3537 107.9302 107.9468 108.2098 110.4513 111.4072 110.8239 107.9209 107.9276 108.183 111.7179 107.1308 111.6976 107.5661 110.9177 107.5572 110.912 110.8258 110.9512 107.8392 107.7016 108.4859 110.896 110.9465 110.8325 107.7087 107.8453 108.4873 107.2222 113.1906 110.6074 106.8591 107.2556 111.3688 110.9654 110.2447 111.7163 108.275 108.0493 107.4507 110.6151 110.6225 110.8265 108.2229 108.2349 108.2246 111.7749 107.7431 111.8423 106.919 111.348 106.8963 110.4814 110.7943 111.3541 107.9305 107.9467 108.2098 110.4514 111.4074 110.8237 107.9211 107.9272 108.1831 107.1308 111.6975 111.7181 107.5573 107.5661 110.9176 110.896 110.9465 110.8326 107.7087 107.8454 108.4873 110.9121 110.8258 110.9512 107.8391 107.7016 108.4859 123.9335 117.3964 117.7676 123.9347 117.3949 117.7675 95.3745 95.3921 95.3746 95.392 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate 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analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 D432 D433 D434 D435 D436 D437 D438 D439 D440 D441 D442 D443 D444 D445 D446 D447 D448 D449 D450 D451 D452 D453 D454 D455 D456 D457 D458 D459 D460 D461 D462 D463 D464 D465 D466 D467 D468 D469 D470 D471 D472 D473 D474 D475 D476 D477 D478 D479 D480 D481 D482 D483 D484 D485 D486 D487 D488 D489 D490 D491 D492 D493 D494 D495 D496 25 25 112 112 2 2 112 112 2 25 1 1 17 17 2 2 18 18 3 3 112 112 3 108 108 108 111 111 6 6 111 111 6 108 5 5 19 19 6 6 20 20 7 7 111 111 7 26 26 26 110 110 10 10 110 110 10 26 9 9 21 21 10 10 22 22 11 11 110 110 11 107 107 107 109 109 14 14 109 109 14 107 13 13 23 23 14 14 24 24 15 15 109 109 15 25 1 1 16 16 8 8 9 9 25 25 29 29 25 25 28 28 27 27 47 47 27 27 27 30 30 30 27 27 43 43 27 27 27 31 31 31 28 28 33 33 29 29 34 34 30 30 30 31 31 31 26 26 37 37 26 26 36 36 35 35 55 55 35 35 35 38 38 38 35 35 59 59 35 35 35 39 39 39 36 36 41 41 37 37 42 42 38 38 38 39 39 39 29 29 29 45 45 45 46 46 46 29 29 29 44 44 44 45 45 45 28 28 28 48 48 48 50 50 50 28 28 28 48 48 48 49 49 49 32 32 32 53 53 53 54 54 54 32 32 32 52 52 52 54 54 54 36 36 36 57 57 57 58 58 58 36 36 36 56 56 56 57 57 57 37 37 37 60 60 60 62 62 62 37 37 37 60 60 60 61 61 61 40 40 40 64 64 64 66 66 66 40 40 40 64 64 64 65 65 65 69 69 107 107 68 68 107 107 68 68 69 69 67 67 87 87 67 67 67 70 70 70 67 67 83 83 67 67 67 71 71 71 68 68 73 73 69 69 74 74 70 70 70 71 71 71 77 77 108 108 76 76 108 108 76 76 77 77 75 75 95 95 75 75 75 78 78 78 75 75 99 99 75 75 75 79 79 79 76 76 81 81 77 77 82 82 78 78 78 79 79 79 69 69 69 84 84 84 86 86 86 69 69 69 84 84 84 85 85 85 68 68 68 89 89 89 90 90 90 68 68 68 88 88 88 89 89 89 72 72 72 93 93 93 94 94 94 72 72 72 92 92 92 93 93 93 76 76 76 96 96 96 98 98 98 76 76 76 96 96 96 97 97 97 77 77 77 101 101 101 102 102 102 77 77 77 100 100 100 101 101 101 80 80 80 104 104 104 106 106 106 80 80 80 104 104 104 105 105 105 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 25 25 25 25 26 26 26 26 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 29 30 30 30 30 31 31 31 31 32 32 32 32 32 32 35 35 35 35 35 35 35 35 36 36 36 36 36 36 36 36 36 36 37 37 37 37 37 37 37 37 37 37 38 38 38 38 39 39 39 39 40 40 40 40 40 40 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 59 59 59 59 59 59 59 59 59 59 59 59 59 59 59 59 59 59 63 63 63 63 63 63 63 63 63 63 63 63 63 63 63 63 63 63 67 67 67 67 67 67 67 67 67 67 67 67 68 68 68 68 68 68 68 68 68 68 69 69 69 69 69 69 69 69 69 69 70 70 70 70 71 71 71 71 72 72 72 72 72 72 75 75 75 75 75 75 75 75 75 75 75 75 76 76 76 76 76 76 76 76 76 76 77 77 77 77 77 77 77 77 77 77 78 78 78 78 79 79 79 79 80 80 80 80 80 80 83 83 83 83 83 83 83 83 83 83 83 83 83 83 83 83 83 83 87 87 87 87 87 87 87 87 87 87 87 87 87 87 87 87 87 87 91 91 91 91 91 91 91 91 91 91 91 91 91 91 91 91 91 91 95 95 95 95 95 95 95 95 95 95 95 95 95 95 95 95 95 95 99 99 99 99 99 99 99 99 99 99 99 99 99 99 99 99 99 99 103 103 103 103 103 103 103 103 103 103 103 103 103 103 103 103 103 103 2 2 2 2 25 25 25 25 112 112 3 3 3 3 4 4 4 4 108 108 108 108 112 112 6 6 6 6 108 108 108 108 111 111 7 7 7 7 8 8 8 8 26 26 26 26 111 111 10 10 10 10 26 26 26 26 110 110 11 11 11 11 12 12 12 12 107 107 107 107 110 110 14 14 14 14 107 107 107 107 109 109 15 15 15 15 16 16 16 16 25 25 25 25 109 109 27 27 27 27 35 35 35 35 28 28 28 28 29 29 29 29 30 30 30 30 47 47 47 47 47 47 31 31 31 31 43 43 43 43 43 43 32 32 32 32 32 32 32 32 51 51 51 51 51 51 36 36 36 36 37 37 37 37 38 38 38 38 55 55 55 55 55 55 39 39 39 39 59 59 59 59 59 59 40 40 40 40 40 40 40 40 63 63 63 63 63 63 44 44 44 44 44 44 44 44 44 46 46 46 46 46 46 46 46 46 49 49 49 49 49 49 49 49 49 50 50 50 50 50 50 50 50 50 52 52 52 52 52 52 52 52 52 53 53 53 53 53 53 53 53 53 56 56 56 56 56 56 56 56 56 58 58 58 58 58 58 58 58 58 61 61 61 61 61 61 61 61 61 62 62 62 62 62 62 62 62 62 65 65 65 65 65 65 65 65 65 66 66 66 66 66 66 66 66 66 68 68 68 68 69 69 69 69 107 107 107 107 70 70 70 70 87 87 87 87 87 87 71 71 71 71 83 83 83 83 83 83 72 72 72 72 72 72 72 72 91 91 91 91 91 91 76 76 76 76 77 77 77 77 108 108 108 108 78 78 78 78 95 95 95 95 95 95 79 79 79 79 99 99 99 99 99 99 80 80 80 80 80 80 80 80 103 103 103 103 103 103 85 85 85 85 85 85 85 85 85 86 86 86 86 86 86 86 86 86 88 88 88 88 88 88 88 88 88 90 90 90 90 90 90 90 90 90 92 92 92 92 92 92 92 92 92 94 94 94 94 94 94 94 94 94 97 97 97 97 97 97 97 97 97 98 98 98 98 98 98 98 98 98 100 100 100 100 100 100 100 100 100 102 102 102 102 102 102 102 102 102 105 105 105 105 105 105 105 105 105 106 106 106 106 106 106 106 106 106 3 17 3 17 16 27 16 27 4 4 4 18 4 18 108 112 108 112 5 75 5 75 1 1 7 19 7 19 4 75 4 75 8 8 8 20 8 20 26 111 26 111 9 35 9 35 5 5 11 21 11 21 8 35 8 35 12 12 12 22 12 22 107 110 107 110 13 67 13 67 9 9 15 23 15 23 12 67 12 67 16 16 16 24 16 24 25 109 25 109 1 27 1 27 13 13 28 29 28 29 36 37 36 37 30 47 30 47 31 43 31 43 32 33 32 33 48 49 50 48 49 50 32 34 32 34 44 45 46 44 45 46 31 51 31 51 30 51 30 51 52 53 54 52 53 54 38 55 38 55 39 59 39 59 40 41 40 41 56 57 58 56 57 58 40 42 40 42 60 61 62 60 61 62 39 63 39 63 38 63 38 63 64 65 66 64 65 66 182 183 184 182 183 184 182 183 184 179 180 181 179 180 181 179 180 181 173 174 175 173 174 175 173 174 175 176 177 178 176 177 178 176 177 178 167 168 169 167 168 169 167 168 169 170 171 172 170 171 172 170 171 172 131 132 133 131 132 133 131 132 133 128 129 130 128 129 130 128 129 130 146 147 148 146 147 148 146 147 148 119 120 121 119 120 121 119 120 121 116 117 118 116 117 118 116 117 118 113 114 115 113 114 115 113 114 115 70 87 70 87 71 83 71 83 12 13 12 13 72 73 72 73 88 89 90 88 89 90 72 74 72 74 84 85 86 84 85 86 71 91 71 91 70 91 70 91 92 93 94 92 93 94 78 95 78 95 79 99 79 99 4 5 4 5 80 81 80 81 96 97 98 96 97 98 80 82 80 82 100 101 102 100 101 102 79 103 79 103 78 103 78 103 104 105 106 104 105 106 134 135 136 134 135 136 134 135 136 137 138 139 137 138 139 137 138 139 125 126 127 125 126 127 125 126 127 122 123 124 122 123 124 122 123 124 143 144 145 143 144 145 143 144 145 140 141 142 140 141 142 140 141 142 158 159 160 158 159 160 158 159 160 155 156 157 155 156 157 155 156 157 152 153 154 152 153 154 152 153 154 149 150 151 149 150 151 149 150 151 164 165 166 164 165 166 164 165 166 161 162 163 161 162 163 161 162 163 -163.2194 12.9777 2.8693 179.0664 157.776 -11.0886 -6.2855 -175.1501 -3.8857 162.7904 -0.0004 176.0943 -176.0954 -0.0007 163.2201 -2.8688 -12.9767 -179.0656 -157.7709 11.0869 6.2906 175.1484 3.8854 -162.7908 -164.7043 11.8919 2.1936 178.7898 162.5087 -6.3107 -2.5066 -171.326 -2.9701 164.5373 0.0006 176.5047 -176.5034 0.0007 164.7066 -2.1945 -11.8896 -178.7908 -162.5106 6.3149 2.5083 171.3337 2.9704 -164.54 -163.2191 12.9785 2.8672 179.0647 157.7659 -11.0981 -6.2927 -175.1567 -3.8828 162.7907 -0.0003 176.0951 -176.0958 -0.0003 163.2211 -2.8667 -12.9764 -179.0642 -157.7697 11.0909 6.2903 175.1509 3.8826 -162.7921 -164.7014 11.8943 2.1951 178.7908 162.5122 -6.3102 -2.5014 -171.3239 -2.972 164.5339 0.0005 176.5038 -176.503 0.0002 164.7042 -2.1959 -11.8912 -178.7913 -162.5173 6.3086 2.5004 171.3262 2.9722 -164.537 85.5543 -93.7105 -84.0124 96.7228 96.7124 -84.0188 -93.7214 85.5474 -179.2827 0.6496 -0.0017 179.9306 178.9438 1.1405 -0.3269 -178.1302 0.272 -179.8239 -179.6612 0.243 -0.5132 116.6701 -117.7074 179.4193 -63.3974 62.225 0.4023 -179.4685 178.1925 -1.6783 -133.5233 -15.936 100.7019 48.6825 166.2698 -77.0923 -0.2035 179.8104 179.8925 -0.0936 -0.1357 179.8505 179.7364 -0.2774 -62.3208 62.5759 -179.8836 117.6935 -117.4098 0.1306 178.9481 1.1485 -0.3266 -178.1262 -179.2878 0.6509 -0.0029 179.9358 0.4028 -179.4691 178.1892 -1.6827 -133.569 -15.98 100.6578 48.6406 166.2296 -77.1326 0.2732 -179.8208 -179.6662 0.2397 -0.5208 116.6624 -117.7155 179.418 -63.3988 62.2233 -0.1361 179.8486 179.7371 -0.2782 -0.2039 179.8114 179.8903 -0.0944 0.1363 117.6993 -117.404 -179.8794 -62.3164 62.5803 53.8665 -66.78 173.8164 -63.9334 175.4201 56.0165 179.2328 58.5863 -60.8173 -57.5124 -177.5638 62.392 175.6986 55.6472 -64.397 59.106 -60.9454 179.0103 -177.1088 62.9443 -57.546 -59.4296 -179.3766 60.1331 56.998 -62.949 176.5607 176.7774 57.2193 -63.2911 59.0754 -60.4827 179.0069 -57.3651 -176.9231 62.5665 63.7903 -55.8696 -176.4597 -61.5385 178.8016 58.2114 -178.9086 61.4315 -59.1586 -63.7714 176.4766 55.8832 61.5696 -58.1824 -178.7758 178.9449 59.1929 -61.4005 53.8552 -66.7933 173.8052 -63.9456 175.4059 56.0044 179.2203 58.5719 -60.8296 -57.513 -177.5649 62.3914 175.6958 55.6438 -64.3999 59.1037 -60.9482 179.0081 -177.1121 62.9409 -57.5492 -59.433 -179.38 60.1299 56.9945 -62.9525 176.5573 176.7751 57.217 -63.2937 59.0724 -60.4857 179.0035 -57.3682 -176.9263 62.563 63.7909 -55.8692 -176.4592 -178.9078 61.4321 -59.1579 -61.5377 178.8022 58.2122 -63.7709 176.4769 55.8835 178.9456 59.1935 -61.4 61.5704 -58.1817 -178.7752 -0.0006 -179.9376 179.2852 -0.6518 0.3279 178.1276 -178.9477 -1.1479 -85.5465 84.0167 93.7232 -96.7136 -0.2707 179.8236 179.667 -0.2386 -116.6641 0.5197 117.7141 63.3987 -179.4174 -62.223 -0.4008 179.469 -178.1874 1.6824 15.9723 133.561 -100.6652 -166.2371 -48.6484 77.1254 0.2047 -179.809 -179.8898 0.0965 0.1331 -179.8533 -179.738 0.2756 62.3165 179.8792 -62.5802 -117.6975 -0.1348 117.4058 0.328 178.1287 -178.9477 -1.1471 0.0002 -179.9384 179.2861 -0.6524 93.7251 -96.7143 -85.5448 84.0158 -0.4015 179.4688 -178.189 1.6813 15.966 133.5545 -100.6717 -166.2425 -48.6539 77.1198 -0.2719 179.8225 179.6674 -0.2382 -116.6623 0.5215 117.7157 63.399 -179.4173 -62.223 0.1334 -179.8525 -179.7382 0.2759 0.2053 -179.8088 -179.8892 0.0967 -0.1362 117.4044 -117.6989 179.8783 -62.5811 62.3155 -53.8589 -173.8087 66.7892 63.9421 -56.0077 -175.4099 -179.2241 60.8261 -58.5761 57.5109 -62.3931 177.563 -59.1061 -179.0101 60.946 -175.698 64.398 -55.6459 177.1033 57.5403 -62.9492 59.4241 -60.1389 179.3715 -57.0028 -176.5657 62.9447 -176.7864 63.2839 -57.2276 57.3571 -62.5725 176.916 -59.0836 -179.0133 60.4752 -63.7915 176.4584 55.8682 178.9078 59.1578 -61.4324 61.5378 -58.2122 -178.8024 63.7723 -55.8827 -176.476 -61.5685 178.7765 58.1832 -178.9439 61.4011 -59.1922 -53.8601 -173.8099 66.7877 63.9405 -56.0093 -175.4117 -179.2254 60.8248 -58.5776 57.5114 -62.3926 177.5634 -59.1057 -179.0097 60.9463 -175.698 64.398 -55.646 177.1049 57.542 -62.9477 59.4257 -60.1372 179.3731 -57.0013 -176.5643 62.946 -176.7848 63.2851 -57.2265 57.3588 -62.5713 176.9171 -59.0821 -179.0122 60.4762 63.7721 -55.8829 -176.4762 -178.9442 61.4009 -59.1924 -61.5688 178.7763 58.183 -63.7917 176.4582 55.8681 178.9075 59.1575 -61.4327 61.5375 -58.2125 -178.8027 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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A 2112 A 2112 3484 2112 321 320 16486.2247150732 184 184 184 1.00e+00 60 T 0.0188584 0.0184821 0.0112264 2 -4647.99200663 0.7792 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=1111111111111111111111111111111111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. CalDSu exits because no D1Ps are significant. There are 555 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 555 vectors produced by pass 0 Test12= 1.13D-12 1.00D-09 XBig12= 2.02D+03 3.05D+01. AX will form 21 AO Fock derivatives at one time. 555 vectors produced by pass 1 Test12= 1.13D-12 1.00D-09 XBig12= 3.14D+02 4.31D+00. 555 vectors produced by pass 2 Test12= 1.13D-12 1.00D-09 XBig12= 1.93D+01 6.79D-01. 554 vectors produced by pass 3 Test12= 1.13D-12 1.00D-09 XBig12= 6.15D-01 1.70D-01. 553 vectors produced by pass 4 Test12= 1.13D-12 1.00D-09 XBig12= 1.17D-02 1.26D-02. 552 vectors produced by pass 5 Test12= 1.13D-12 1.00D-09 XBig12= 1.12D-04 5.87D-04. 483 vectors produced by pass 6 Test12= 1.13D-12 1.00D-09 XBig12= 9.83D-07 5.98D-05. 261 vectors produced by pass 7 Test12= 1.13D-12 1.00D-09 XBig12= 9.62D-09 4.03D-06. 66 vectors produced by pass 8 Test12= 1.13D-12 1.00D-09 XBig12= 1.06D-10 4.26D-07. 15 vectors produced by pass 9 Test12= 1.13D-12 1.00D-09 XBig12= 1.20D-12 3.64D-08. 5 vectors produced by pass 10 Test12= 1.13D-12 1.00D-09 XBig12= 1.85D-14 5.10D-09. InvSVY: IOpt=1 It= 1 EMax= 1.21D-13 Solved reduced A of dimension 4154 with 555 vectors. Isotropic polarizability for W= 0.000000 1623.13 Bohr**3. End of Minotr F.D. properties file 721 does not exist.