Gaussian 16 GINC-WATSON SGERVASONI NEW-compoundopt 6-31G** ES64L-G16RevA.03 3-Dec-2025 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 143 143 (6D, 7F) 6-31G(d,p) RB3LYP 6-31G(d,p) FOpt #N B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight) NoSymm Int=UltraFine Freq=NoRaman SCF=XQC Test 836.4927000000009 -1 1 AuxInfo=1/0/N:18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;65;66;67;68;69;70;71;72;73;74;75;76;77;78;79;80;81;82;83;84;85;86;87;88;89;90;91;92;93;94;95;96;97;98;99;100;101;102;103;104;105;106;107;108;109;110;111;112;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/rA:143nO0O0O0O0O0O0O0O0O0O0O0O0O0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.146,2.313,.543;.318,-1.259,1.519;1.185,4.275,.522;.505,-3.792,-.106;-2.476,-4.469,.348;.025,-6.984,-.803;2.15,7.973,-1.13;-2.454,4.1,.518;4.223,4.825,-1.304;6.296,6.913,-1.106;-4.637,-3.529,.083;.039,-6.401,1.465;2.94,8.719,.951;-5.95,-6.832,-.488;-8.126,-4.874,.688;3.618,11.416,-2.551;1.683,10.693,-2.959;.617,1.091,.697;-.261,.073,1.487;-.762,-2.228,1.376;.445,3.348,1.368;1.887,1.471,1.476;-.617,-2.878,-.041;1.436,2.654,2.302;-1.698,-.067,.993;-2.061,-1.418,1.553;-.647,4.09,2.165;.341,4.994,-.429;-1.812,-3.631,-.642;-.736,5.847,.309;-1.552,4.943,1.265;.338,-4.54,-1.333;-1.148,-4.481,-1.72;1.22,5.745,-1.482;.993,.583,-.708;-.604,-3.251,2.517;.967,-5.961,-1.267;2.428,6.561,-.881;2.357,-6.001,-.564;3.863,6.243,-1.389;-.19,7.075,1.058;2.706,-7.463,-.248;1.569,4.799,-2.653;1.663,-8.121,.691;4.905,7.203,-.745;.241,-7.488,.542;4.516,8.691,-.939;3.046,8.92,-.475;-3.858,-4.76,.016;3.469,-5.33,-1.385;-4.37,-5.774,1.042;2.159,-8.149,2.148;2.506,10.337,-.765;-.863,-8.516,.801;5.529,9.623,-.245;-5.846,-6.116,.78;-6.066,-3.71,-.156;-6.666,-4.794,.774;4.562,4.343,.022;2.633,10.783,-2.192;6.575,6.881,-2.531;-6.36,-3.853,-1.653;-5.855,-8.273,-.339;-8.671,-5.922,-.153;-.331,.422,2.544;2.286,.641,2.104;2.696,1.82,.792;-.394,-2.039,-.743;.934,2.286,3.227;2.285,3.315,2.592;-1.764,-.096,-.117;-2.36,.743,1.378;-2.311,-1.29,2.634;-2.949,-1.852,1.048;-.158,4.757,2.911;-1.273,3.354,2.72;-.253,4.246,-1.008;-2.517,-2.895,-1.099;-1.446,6.241,-.456;-2.195,5.574,1.922;.907,-3.98,-2.114;-1.629,-5.481,-1.798;-1.254,-3.977,-2.709;.534,6.483,-1.964;.089,.378,-1.32;1.601,-.348,-.638;1.587,1.355,-1.25;.356,-3.806,2.417;-.584,-2.728,3.5;-1.442,-3.981,2.531;1.151,-6.243,-2.331;2.44,6.396,.217;2.3,-5.459,.41;3.856,6.501,-2.472;-.99,7.556,1.666;.648,6.795,1.734;.155,7.839,.331;2.733,-8.029,-1.209;3.729,-7.526,.191;.639,4.431,-3.144;2.136,3.912,-2.292;2.157,5.327,-3.436;1.608,-9.189,.371;4.853,7.027,.355;4.553,8.915,-2.028;-1.847,3.423,.024;-3.913,-5.21,-1.004;3.585,-5.827,-2.375;3.235,-4.254,-1.546;4.438,-5.389,-.84;-4.257,-5.344,2.064;-3.749,-6.694,.994;2.342,-7.116,2.521;3.11,-8.725,2.221;1.41,-8.642,2.808;1.428,10.371,-.488;3.026,11.078,-.12;-.802,-8.913,1.838;-1.858,-8.039,.663;-.782,-9.362,.081;5.513,9.472,.858;6.559,9.424,-.617;5.302,10.689,-.466;-6.228,-6.731,1.631;-6.551,-2.751,.143;-6.498,-4.375,1.796;.037,-6.836,2.4;1.919,8.695,1.104;3.821,4.659,.789;4.577,3.231,-.004;5.579,4.691,.313;7.677,6.85,-2.672;6.193,7.784,-3.057;6.146,5.964,-2.994;-5.837,-3.042,-2.21;-6.014,-4.831,-2.05;-7.452,-3.752,-1.841;-4.881,-8.569,.114;-6.693,-8.664,.282;-5.923,-8.738,-1.347;-8.539,-6.915,.331;-9.762,-5.742,-.274;-8.212,-5.925,-1.166; g16 /usr/local/g16/l1.exe "/home/sgervasoni/maduramicin_-1/geom/Gau-1711305.inp" -scrdir="/home/sgervasoni/maduramicin_-1/geom/" NProcShared=48 Mem=54Gb Chk=mol #N B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight) 1/7=10,18=20,19=15,26=6,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=1,6=6,7=101,11=2,25=1,30=1,70=2201,71=1,72=1,74=-5,75=-5/1,2,3 4//1 5/5=2,6=8,8=3,13=1,38=5,53=1/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7/30=1/1,2,3,16 1/7=10,18=20,19=15,26=6/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=1,6=6,7=101,11=2,25=1,30=1,70=2205,71=1,72=1,74=-5,75=-5/1,2,3 4/5=5,16=3,69=1/1 5/5=2,6=8,8=3,13=1,38=5,53=1/2,8 7/30=1/1,2,3,16 1/7=10,18=20,19=15,26=6/3(-5) 2/9=110,15=1/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 NEW-compound opt 6-31G** 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 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 17 18 18 18 19 19 20 20 20 21 21 22 22 22 23 23 24 24 25 25 25 26 26 27 27 27 28 28 28 29 29 30 30 30 31 32 32 32 33 33 34 34 34 35 35 35 36 36 36 37 37 38 38 39 39 39 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 46 47 47 47 48 49 49 50 50 50 51 51 51 52 52 52 53 53 53 54 54 54 55 55 55 56 56 57 57 57 58 59 59 59 61 61 61 62 62 62 63 63 63 64 64 64 18 21 19 20 21 28 23 32 29 49 37 46 38 48 31 106 40 59 45 61 49 57 46 127 48 128 56 63 58 64 60 60 19 22 35 25 65 23 26 36 24 27 24 66 67 29 68 69 70 26 71 72 73 74 31 75 76 30 34 77 33 78 31 41 79 80 33 37 81 82 83 38 43 84 85 86 87 88 89 90 39 91 40 92 42 50 93 45 94 95 96 97 44 98 99 100 101 102 46 52 103 47 104 54 48 55 105 53 51 107 108 109 110 56 111 112 113 114 115 60 116 117 118 119 120 121 122 123 58 124 58 62 125 126 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 1.4489 1.4495 1.4528 1.458 1.4569 1.4607 1.4486 1.4467 1.4571 1.4508 1.466 1.4525 1.4605 1.459 1.443 1.0348 1.4655 1.451 1.466 1.4524 1.4583 1.4601 1.4402 1.0312 1.444 1.0327 1.4599 1.4518 1.4647 1.45 1.2247 1.2243 1.5593 1.5376 1.5406 1.526 1.1153 1.5657 1.541 1.5406 1.5284 1.5422 1.5117 1.1147 1.1154 1.535 1.1164 1.1149 1.1144 1.5068 1.1123 1.1147 1.1169 1.1099 1.5351 1.1138 1.1143 1.5595 1.5638 1.117 1.525 1.1169 1.5482 1.5385 1.1156 1.115 1.5367 1.5554 1.1168 1.1124 1.1151 1.5768 1.5453 1.1169 1.1108 1.1141 1.1147 1.1134 1.1137 1.1115 1.5582 1.116 1.5551 1.1104 1.5359 1.5365 1.1161 1.5563 1.1133 1.114 1.1125 1.1096 1.55 1.1156 1.115 1.1142 1.1129 1.1125 1.5636 1.5394 1.1163 1.5502 1.1152 1.5306 1.5584 1.5416 1.1124 1.5439 1.5307 1.1162 1.1138 1.1129 1.1133 1.5376 1.1145 1.111 1.1134 1.1142 1.1134 1.5005 1.1135 1.1115 1.1121 1.112 1.1139 1.1134 1.1131 1.1121 1.5557 1.1173 1.5492 1.5323 1.1155 1.1173 1.1123 1.1124 1.1136 1.1114 1.1127 1.1132 1.1142 1.1108 1.1127 1.1142 1.1139 1.1122 1.1125 1.1123 1.1121 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 18 19 21 23 29 37 38 31 40 45 49 46 48 56 58 1 1 1 19 19 22 2 2 2 18 18 25 2 2 2 23 23 26 1 1 1 3 3 24 18 18 18 24 24 66 4 4 4 20 20 29 21 21 21 22 22 69 19 19 19 26 26 71 20 20 20 25 25 73 21 21 21 31 31 75 3 3 3 30 30 34 5 5 5 23 23 33 28 28 28 31 31 41 8 8 8 27 27 30 4 4 4 33 33 37 29 29 29 32 32 82 28 28 28 38 38 43 18 18 18 85 85 86 20 20 20 88 88 89 6 6 6 32 32 39 7 7 7 34 34 40 37 37 37 42 42 50 9 9 9 38 38 45 30 30 30 95 95 96 39 39 39 44 44 98 34 34 34 100 100 101 42 42 42 46 46 52 10 10 10 40 40 47 6 6 6 12 12 44 45 45 45 48 48 55 7 7 7 13 13 47 5 5 5 11 11 51 39 39 39 108 108 109 49 49 49 56 56 111 44 44 44 113 113 114 48 48 48 60 60 116 46 46 46 118 118 119 47 47 47 121 121 122 14 14 14 51 51 58 11 11 11 58 58 62 15 15 15 56 56 57 9 9 9 129 129 130 16 16 17 10 10 10 132 132 133 57 57 57 135 135 136 14 14 14 138 138 139 15 15 15 141 141 142 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 30 30 30 30 30 30 31 31 31 31 31 31 32 32 32 32 32 32 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 35 35 35 36 36 36 36 36 36 37 37 37 37 37 37 38 38 38 38 38 38 39 39 39 39 39 39 40 40 40 40 40 40 41 41 41 41 41 41 42 42 42 42 42 42 43 43 43 43 43 43 44 44 44 44 44 44 45 45 45 45 45 45 46 46 46 46 46 46 47 47 47 47 47 47 48 48 48 48 48 48 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 54 54 54 54 54 54 55 55 55 55 55 55 56 56 56 56 56 56 57 57 57 57 57 57 58 58 58 58 58 58 59 59 59 59 59 59 60 60 60 61 61 61 61 61 61 62 62 62 62 62 62 63 63 63 63 63 63 64 64 64 64 64 64 21 20 28 32 49 46 48 106 59 61 57 127 128 63 64 19 22 35 22 35 35 18 25 65 25 65 65 23 26 36 26 36 36 3 24 27 24 27 27 24 66 67 66 67 67 20 29 68 29 68 68 22 69 70 69 70 70 26 71 72 71 72 72 25 73 74 73 74 74 31 75 76 75 76 76 30 34 77 34 77 77 23 33 78 33 78 78 31 41 79 41 79 79 27 30 80 30 80 80 33 37 81 37 81 81 32 82 83 82 83 83 38 43 84 43 84 84 85 86 87 86 87 87 88 89 90 89 90 90 32 39 91 39 91 91 34 40 92 40 92 92 42 50 93 50 93 93 38 45 94 45 94 94 95 96 97 96 97 97 44 98 99 98 99 99 100 101 102 101 102 102 46 52 103 52 103 103 40 47 104 47 104 104 12 44 54 44 54 54 48 55 105 55 105 105 13 47 53 47 53 53 11 51 107 51 107 107 108 109 110 109 110 110 56 111 112 111 112 112 113 114 115 114 115 115 60 116 117 116 117 117 118 119 120 119 120 120 121 122 123 122 123 123 51 58 124 58 124 124 58 62 125 62 125 125 56 57 126 57 126 126 129 130 131 130 131 131 17 53 53 132 133 134 133 134 134 135 136 137 136 137 137 138 139 140 139 140 140 141 142 143 142 143 143 109.0879 108.1785 113.4382 105.9544 113.2008 116.0825 115.7276 105.2282 115.5828 115.3542 114.2447 105.246 102.8339 113.1411 116.6263 107.9368 106.2831 108.0414 111.7007 112.5942 109.9958 112.6652 107.3571 106.9204 115.2225 108.1317 106.0457 107.2219 105.2955 107.0204 113.5921 112.6511 110.5125 109.324 106.735 110.4254 108.3261 110.7087 111.2091 102.9334 113.3955 111.4517 112.4368 107.8547 108.5935 111.9795 106.0151 106.9316 119.0715 105.9966 106.1384 102.4081 111.403 112.5615 109.2301 112.2774 108.839 100.8828 112.415 112.3817 109.4624 112.3383 109.1695 103.0327 111.1052 114.6207 108.1115 111.9763 107.8242 112.4454 108.8689 109.7198 108.587 109.1374 107.9751 111.1098 110.4874 108.3687 116.3689 104.1423 105.7523 111.7686 110.9862 111.6735 102.1944 109.1673 110.6642 109.6829 114.9517 107.9497 110.6389 107.11 106.1289 110.3275 110.5431 105.9716 112.07 107.997 109.7151 107.7804 112.9356 105.9643 115.9012 107.2958 106.3637 105.3332 111.2454 109.4909 113.6579 109.4294 107.6393 114.9924 110.0728 105.2283 115.6333 107.042 102.4851 111.3894 110.5744 110.1888 108.9369 107.0738 108.5702 110.6659 110.1046 111.6009 107.3311 108.8945 108.1117 113.0228 114.3618 103.3777 113.7878 104.8964 106.0561 106.8287 108.5207 108.319 118.4635 107.9554 106.4189 108.6603 113.1617 109.6151 111.1721 107.1157 106.9291 113.9287 114.1039 106.3916 110.8858 105.3417 105.2951 110.8223 111.2386 109.9338 108.5404 106.4735 109.707 112.0748 108.1313 110.0757 108.8295 110.7857 106.7552 110.342 110.9264 111.2336 107.7556 106.7244 109.7121 112.4802 111.3642 105.4054 112.9905 108.3726 105.6526 114.2894 113.4001 104.8273 111.8576 106.2357 105.2616 108.1012 111.343 106.4086 111.84 107.2955 111.5883 109.9067 111.0442 107.9056 113.3886 107.0531 107.2846 107.9337 110.5019 107.2538 110.0487 106.7131 114.1336 109.2092 107.3442 109.689 110.4698 110.8529 109.2059 110.8207 110.3265 110.1938 108.9502 108.7126 107.7626 110.7458 108.9745 109.4286 109.84 110.1826 107.6037 110.6808 110.2686 110.6318 108.5047 108.8317 107.8443 114.9514 108.657 109.83 108.0256 108.3076 106.7495 110.9774 109.6511 110.3828 108.5379 109.1253 108.0982 110.7658 110.4591 110.8504 108.6717 108.9012 107.0887 108.9941 112.0786 111.5448 108.5197 108.7143 106.8867 111.5631 111.0553 105.9665 116.5437 105.7987 104.9919 118.6343 112.8938 102.9485 113.1281 103.645 103.2077 112.3417 108.2912 110.3867 108.0044 109.842 107.8294 118.5845 120.0335 120.5497 108.3942 112.333 110.6206 107.6424 107.8399 109.8519 109.293 111.8133 110.1763 108.4199 108.0673 108.9805 111.2604 110.8792 108.5405 109.7384 108.1109 108.2115 110.3757 108.3472 112.0312 107.9464 110.1748 107.8274 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 21 21 21 18 18 18 20 20 20 19 19 19 28 28 28 21 21 21 32 32 32 23 23 23 49 49 49 29 29 29 46 46 46 37 37 37 48 48 48 38 38 38 106 106 106 59 59 59 40 40 40 61 61 61 45 45 45 57 57 57 49 49 49 127 127 127 128 128 128 63 63 63 56 56 56 64 64 64 58 58 58 1 1 1 22 22 22 35 35 35 1 1 1 19 19 19 35 35 35 1 1 1 19 19 19 22 22 22 2 2 2 18 18 18 65 65 65 2 2 2 26 26 26 36 36 36 2 2 2 23 23 23 36 36 36 2 2 2 23 23 23 26 26 26 1 1 1 3 3 3 27 27 27 1 1 1 3 3 3 24 24 24 18 18 18 66 66 66 67 67 67 4 4 4 20 20 20 68 68 68 19 19 19 71 71 71 72 72 72 21 21 21 75 75 75 76 76 76 3 3 3 34 34 34 77 77 77 3 3 3 30 30 30 77 77 77 5 5 5 23 23 23 78 78 78 28 28 28 41 41 41 79 79 79 28 28 28 31 31 31 79 79 79 4 4 4 37 37 37 81 81 81 4 4 4 33 33 33 81 81 81 28 28 28 43 43 43 84 84 84 28 28 28 38 38 38 84 84 84 6 6 6 32 32 32 91 91 91 7 7 7 34 34 34 92 92 92 37 37 37 50 50 50 93 93 93 37 37 37 42 42 42 93 93 93 9 9 9 38 38 38 94 94 94 39 39 39 98 98 98 99 99 99 42 42 42 52 52 52 103 103 103 42 42 42 46 46 46 103 103 103 10 10 10 40 40 40 104 104 104 6 6 6 12 12 12 44 44 44 45 45 45 55 55 55 105 105 105 45 45 45 48 48 48 105 105 105 7 7 7 13 13 13 47 47 47 5 5 5 11 11 11 107 107 107 49 49 49 111 111 111 112 112 112 48 48 116 116 117 117 14 14 14 51 51 51 124 124 124 11 11 11 62 62 62 125 125 125 11 11 11 58 58 58 125 125 125 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 25 25 25 25 25 25 25 25 25 27 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 37 37 37 37 37 37 37 37 37 38 38 38 38 38 38 38 38 38 39 39 39 39 39 39 39 39 39 39 39 39 39 39 39 39 39 39 40 40 40 40 40 40 40 40 40 42 42 42 42 42 42 42 42 42 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 45 45 45 45 45 45 45 45 45 46 46 46 46 46 46 46 46 46 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 48 48 48 48 48 48 48 48 48 49 49 49 49 49 49 49 49 49 51 51 51 51 51 51 51 51 51 53 53 53 53 53 53 56 56 56 56 56 56 56 56 56 57 57 57 57 57 57 57 57 57 57 57 57 57 57 57 57 57 57 18 18 18 21 21 21 19 19 19 20 20 20 21 21 21 28 28 28 23 23 23 32 32 32 29 29 29 49 49 49 37 37 37 46 46 46 38 38 38 48 48 48 31 31 31 40 40 40 59 59 59 45 45 45 61 61 61 49 49 49 57 57 57 46 46 46 48 48 48 56 56 56 63 63 63 58 58 58 64 64 64 19 19 19 19 19 19 19 19 19 22 22 22 22 22 22 22 22 22 35 35 35 35 35 35 35 35 35 25 25 25 25 25 25 25 25 25 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 26 26 26 36 36 36 36 36 36 36 36 36 24 24 24 24 24 24 24 24 24 27 27 27 27 27 27 27 27 27 24 24 24 24 24 24 24 24 24 29 29 29 29 29 29 29 29 29 26 26 26 26 26 26 26 26 26 31 31 31 31 31 31 31 31 31 30 30 30 30 30 30 30 30 30 34 34 34 34 34 34 34 34 34 33 33 33 33 33 33 33 33 33 31 31 31 31 31 31 31 31 31 41 41 41 41 41 41 41 41 41 33 33 33 33 33 33 33 33 33 37 37 37 37 37 37 37 37 37 38 38 38 38 38 38 38 38 38 43 43 43 43 43 43 43 43 43 39 39 39 39 39 39 39 39 39 40 40 40 40 40 40 40 40 40 42 42 42 42 42 42 42 42 42 50 50 50 50 50 50 50 50 50 45 45 45 45 45 45 45 45 45 44 44 44 44 44 44 44 44 44 46 46 46 46 46 46 46 46 46 52 52 52 52 52 52 52 52 52 47 47 47 47 47 47 47 47 47 54 54 54 54 54 54 54 54 54 48 48 48 48 48 48 48 48 48 55 55 55 55 55 55 55 55 55 53 53 53 53 53 53 53 53 53 51 51 51 51 51 51 51 51 51 56 56 56 56 56 56 56 56 56 60 60 60 60 60 60 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 62 62 62 62 62 62 62 62 62 19 22 35 3 24 27 18 25 65 23 26 36 1 24 27 30 34 77 20 29 68 33 37 81 23 33 78 11 51 107 32 39 91 12 44 54 34 40 92 13 47 53 27 30 80 38 45 94 129 130 131 40 47 104 132 133 134 5 51 107 58 62 125 6 44 54 7 47 53 51 58 124 138 139 140 56 57 126 141 142 143 2 25 65 2 25 65 2 25 65 24 66 67 24 66 67 24 66 67 85 86 87 85 86 87 85 86 87 26 71 72 26 71 72 26 71 72 4 29 68 4 29 68 4 29 68 25 73 74 25 73 74 25 73 74 88 89 90 88 89 90 88 89 90 22 69 70 22 69 70 22 69 70 31 75 76 31 75 76 31 75 76 21 69 70 21 69 70 21 69 70 5 33 78 5 33 78 5 33 78 20 73 74 20 73 74 20 73 74 8 30 80 8 30 80 8 30 80 31 41 79 31 41 79 31 41 79 38 43 84 38 43 84 38 43 84 32 82 83 32 82 83 32 82 83 8 27 80 8 27 80 8 27 80 95 96 97 95 96 97 95 96 97 29 82 83 29 82 83 29 82 83 6 39 91 6 39 91 6 39 91 7 40 92 7 40 92 7 40 92 100 101 102 100 101 102 100 101 102 42 50 93 42 50 93 42 50 93 9 45 94 9 45 94 9 45 94 44 98 99 44 98 99 44 98 99 108 109 110 108 109 110 108 109 110 10 47 104 10 47 104 10 47 104 46 52 103 46 52 103 46 52 103 6 12 54 6 12 54 6 12 54 113 114 115 113 114 115 113 114 115 48 55 105 48 55 105 48 55 105 118 119 120 118 119 120 118 119 120 7 13 53 7 13 53 7 13 53 121 122 123 121 122 123 121 122 123 60 116 117 60 116 117 60 116 117 56 111 112 56 111 112 56 111 112 14 58 124 14 58 124 14 58 124 16 17 16 17 16 17 15 57 126 15 57 126 15 57 126 15 56 126 15 56 126 15 56 126 135 136 137 135 136 137 135 136 137 109.9438 -10.0192 -128.0409 104.4594 -12.5007 -133.5043 -140.9739 -13.0689 100.3704 109.6556 -11.6208 -129.2431 63.5023 179.4524 -58.3635 60.5527 -168.7175 -53.2858 166.9786 35.6031 -77.3306 -22.5039 -151.8358 92.1088 156.6149 -90.0075 33.99 -66.9065 173.3058 54.7645 -107.2038 25.1353 139.9553 64.2936 -58.9315 179.2745 171.0639 -60.1478 54.998 -60.4556 59.9228 -175.1025 -54.866 69.6565 -171.5292 -76.665 52.0771 167.725 47.5852 166.7819 -75.387 55.4518 -74.3666 171.3501 169.23 50.4202 -72.7302 -176.574 -58.7327 62.4616 53.2724 -78.5652 167.9531 170.3066 -66.7703 55.9101 -47.7144 -168.3768 67.2895 90.8277 -149.0317 -29.2195 -60.0674 62.363 -178.9038 -36.7592 98.9954 -150.4204 72.5641 -169.4359 -50.6098 170.9017 47.2549 -71.1531 -72.6105 163.7427 45.3347 51.7389 -71.9078 169.6842 28.5423 150.28 -86.8133 -88.9452 32.7925 155.6993 145.2626 -92.9997 29.9071 -59.867 178.8476 58.8175 59.2348 -62.0506 177.9193 -175.4822 63.2325 -56.7976 32.495 -84.013 152.3454 158.9013 42.3933 -81.2483 -81.5331 161.9589 38.3174 72.8756 -162.737 -43.3825 -171.2283 -46.8409 72.5137 -44.603 79.7844 -160.8611 31.9527 -83.6019 153.8641 -85.0723 159.3732 36.8391 147.1872 31.6326 -90.9014 -63.3074 55.1891 175.2539 54.2903 172.7868 -67.1485 -177.4549 -58.9584 61.1064 29.9968 -86.6478 150.7761 -87.6228 155.7326 33.1566 150.4995 33.8549 -88.7211 -68.9904 170.6357 52.6695 52.2268 -68.1471 173.8866 172.7087 52.3349 -65.6314 -34.8632 83.3321 -155.8387 -157.248 -39.0526 81.7766 83.054 -158.7507 -37.9214 84.7458 -33.9949 -151.2107 -42.4895 -161.2301 81.5541 -161.7713 79.488 -37.7278 -38.2862 79.3966 -161.9652 80.3841 -161.933 -43.2949 -158.1677 -40.4849 78.1533 74.0178 -49.6245 -170.5858 -165.4458 70.9118 -50.0494 -47.973 -171.6154 67.4234 -54.811 70.5921 -171.1916 177.59 -57.0069 61.2093 61.6529 -172.944 -54.7277 -46.5453 86.1815 -164.0625 81.359 -145.9141 -36.1581 -163.6057 -30.8788 78.8772 -99.768 23.807 142.6551 19.5248 143.0998 -98.0521 135.6611 -100.7639 18.0843 -73.4593 50.0621 170.0257 158.6983 -77.7803 42.1833 43.45 166.9713 -73.0651 -172.6048 -51.7549 69.9663 -47.7001 73.1497 -165.129 68.1607 -170.9894 -49.2681 0.8422 -121.1859 118.4606 128.4801 6.4521 -113.9015 -112.8843 125.0876 4.7341 90.9546 -41.6646 -157.1338 -34.0815 -166.7007 77.8301 -153.2279 74.1528 -41.3163 -113.7779 123.4386 2.5302 116.1553 -6.6282 -127.5366 2.7094 -120.074 119.0175 59.2441 -60.0951 177.4937 -168.3592 72.3016 -50.1096 -52.3073 -171.6465 65.9423 34.0243 158.0182 -82.7272 165.9977 -70.0084 49.2462 -79.2178 44.7762 164.0307 -174.9191 54.7247 -58.6949 -52.9866 176.6572 63.2376 68.7035 -61.6527 -175.0723 -60.2025 59.7499 176.0225 174.6277 -65.4199 50.8527 58.14 178.0923 -65.635 -59.4764 61.2792 -179.8465 63.132 -176.1124 -57.2381 179.7341 -59.5103 59.364 45.9773 176.5566 -69.0999 176.2415 -53.1793 61.1643 -70.3095 60.2698 174.6133 28.109 -99.8981 146.0041 -91.435 140.5579 26.4601 151.4856 23.4784 -90.6194 29.728 -91.3344 148.4645 156.8735 35.8111 -84.39 -86.3995 152.538 32.3369 60.4153 -59.6532 -178.868 -67.3168 172.6147 53.3999 174.3591 54.2905 -64.9242 -177.5685 -51.2913 66.0228 51.397 177.6741 -65.0118 -63.5454 62.7317 -179.9542 -176.9148 -57.0161 61.9681 -61.3888 58.51 177.4942 61.4473 -178.6539 -59.6697 -52.838 66.2663 -173.8032 -177.7779 -58.6737 61.2568 64.1052 -176.7906 -56.8601 -64.3422 56.1153 174.651 59.9828 -179.5597 -61.024 177.9654 -61.5771 56.9587 -69.2215 51.9314 168.3615 175.3172 -63.5299 52.9002 53.5313 174.6842 -68.8857 178.7519 57.8202 -59.5923 59.7719 -61.1598 -178.5723 -62.3953 176.673 59.2605 66.7714 -55.541 -171.4486 -172.811 64.8766 -51.0309 -54.4401 -176.7526 67.3399 -92.702 97.8906 145.8011 -23.6062 30.5308 -138.8765 66.1459 -69.5116 179.428 -173.4376 50.9049 -60.1555 -56.3528 167.9896 56.9293 172.2589 -49.4939 61.8357 -58.7478 79.4994 -169.171 57.4745 -164.2783 -52.9487 -48.2534 71.7933 -166.854 -177.4903 -57.4436 63.9091 65.8407 -174.1126 -52.7599 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 143 1.00e+00 60 T Berny optimization. local minimum Step number 76 out of a maximum of 858 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00068 0.00079 0.00102 0.00142 0.00213 0.00232 0.00239 0.00246 0.00255 0.00272 0.00283 0.00296 0.00312 0.00349 0.00389 0.00403 0.00484 0.00506 0.00528 0.00549 0.00570 0.00610 0.00616 0.00669 0.00690 0.00699 0.00765 0.00811 0.00836 0.00888 0.00896 0.00928 0.00975 0.01002 0.01010 0.01013 0.01029 0.01069 0.01102 0.01128 0.01161 0.01185 0.01216 0.01412 0.01489 0.01766 0.01823 0.02548 0.02691 0.02776 0.02855 0.02913 0.02943 0.03028 0.03079 0.03177 0.03220 0.03241 0.03285 0.03305 0.03338 0.03366 0.03474 0.03789 0.03961 0.03972 0.04000 0.04041 0.04084 0.04179 0.04224 0.04241 0.04324 0.04355 0.04406 0.04469 0.04509 0.04535 0.04583 0.04619 0.04641 0.04685 0.04715 0.04760 0.04790 0.04823 0.04847 0.04868 0.04959 0.04973 0.05006 0.05057 0.05199 0.05222 0.05256 0.05268 0.05298 0.05316 0.05319 0.05352 0.05362 0.05373 0.05386 0.05406 0.05422 0.05451 0.05456 0.05511 0.05521 0.05536 0.05551 0.05555 0.05564 0.05572 0.05578 0.05597 0.05612 0.05636 0.05663 0.05699 0.05713 0.05765 0.05821 0.05848 0.05914 0.05960 0.06108 0.06150 0.06279 0.06336 0.06376 0.06499 0.06565 0.06660 0.06706 0.06760 0.06774 0.06844 0.06857 0.06944 0.06965 0.06973 0.07112 0.07134 0.07148 0.07322 0.07425 0.07528 0.07688 0.07838 0.07891 0.07981 0.08042 0.08130 0.08152 0.08207 0.08423 0.08533 0.08624 0.08636 0.08694 0.08917 0.08957 0.09029 0.09138 0.09683 0.09688 0.09756 0.09797 0.09807 0.09916 0.09977 0.10152 0.10263 0.10350 0.10369 0.10407 0.10488 0.10514 0.10567 0.10801 0.11159 0.12284 0.12511 0.13034 0.13206 0.13328 0.13822 0.14108 0.14227 0.14379 0.14445 0.15017 0.15178 0.15376 0.15546 0.15716 0.15758 0.15809 0.15828 0.15876 0.15900 0.15923 0.15946 0.15966 0.15981 0.15987 0.15995 0.15998 0.15999 0.16000 0.16001 0.16001 0.16002 0.16002 0.16003 0.16003 0.16006 0.16006 0.16007 0.16012 0.16012 0.16017 0.16025 0.16028 0.16036 0.16043 0.16061 0.16068 0.16080 0.16095 0.16127 0.16139 0.16188 0.16220 0.16289 0.16322 0.16431 0.16655 0.16729 0.17372 0.17430 0.17799 0.18038 0.18189 0.18293 0.18489 0.18776 0.18841 0.18971 0.19207 0.19314 0.19775 0.19917 0.20134 0.20197 0.20618 0.21184 0.21447 0.21875 0.22318 0.22846 0.23418 0.24543 0.24765 0.24879 0.25043 0.25160 0.25377 0.25608 0.25786 0.25939 0.26039 0.26271 0.26463 0.26599 0.26726 0.26813 0.26921 0.27080 0.27123 0.27337 0.27541 0.27661 0.27762 0.27836 0.28076 0.28150 0.28176 0.28292 0.28414 0.28503 0.28570 0.28598 0.28693 0.28780 0.28938 0.28992 0.29112 0.29204 0.29378 0.29529 0.29924 0.29959 0.30253 0.30588 0.30884 0.31103 0.31373 0.31391 0.31545 0.31636 0.31836 0.31863 0.31882 0.31896 0.31916 0.31932 0.31940 0.31963 0.31966 0.31998 0.32007 0.32015 0.32031 0.32034 0.32039 0.32062 0.32068 0.32086 0.32089 0.32099 0.32115 0.32123 0.32126 0.32132 0.32140 0.32158 0.32160 0.32161 0.32165 0.32173 0.32176 0.32184 0.32191 0.32197 0.32203 0.32208 0.32221 0.32225 0.32234 0.32243 0.32254 0.32257 0.32267 0.32278 0.32285 0.32289 0.32301 0.32324 0.32330 0.32335 0.32345 0.32350 0.32352 0.32369 0.32373 0.32384 0.32394 0.32418 0.32433 0.32443 0.32462 0.32470 0.32487 0.32499 0.32516 0.32630 0.32642 0.32716 0.32758 0.32902 0.33008 0.33122 0.33516 0.33728 0.33808 0.34436 0.34923 0.35157 0.35580 0.35782 0.35958 0.36230 0.36249 0.36287 0.36473 0.36559 0.36747 0.36882 0.36996 0.37064 0.37306 0.37517 0.37803 0.37996 0.38048 0.38090 0.38536 0.38894 0.39329 0.39464 0.39910 0.41262 0.41860 0.42402 0.42670 0.42987 0.43838 0.46081 0.51243 0.94342 0.96185 -2.01286140e-12 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 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 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1.15439 -1.16312 -3.13428 -3.01775 0.94792 -1.02323 -0.93733 3.02834 1.05718 2.97533 -0.94397 1.02295 -1.06316 1.30072 -3.01555 1.04137 -2.87794 -0.91102 -0.91616 1.20536 -2.97478 -3.12267 -1.00115 1.10189 1.06812 -3.09355 -0.99050 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000038 0.000007 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -2.439661e-12 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 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 17 18 18 18 19 19 20 20 20 21 21 22 22 22 23 23 24 24 25 25 25 26 26 27 27 27 28 28 28 29 29 30 30 30 31 32 32 32 33 33 34 34 34 35 35 35 36 36 36 37 37 38 38 39 39 39 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 46 47 47 47 48 49 49 50 50 50 51 51 51 52 52 52 53 53 53 54 54 54 55 55 55 56 56 57 57 57 58 59 59 59 61 61 61 62 62 62 63 63 63 64 64 64 18 21 19 20 21 28 23 32 29 49 37 46 38 48 31 106 40 59 45 61 49 57 46 127 48 128 56 63 58 64 60 60 19 22 35 25 65 23 26 36 24 27 24 66 67 29 68 69 70 26 71 72 73 74 31 75 76 30 34 77 33 78 31 41 79 80 33 37 81 82 83 38 43 84 85 86 87 88 89 90 39 91 40 92 42 50 93 45 94 95 96 97 44 98 99 100 101 102 46 52 103 47 104 54 48 55 105 53 51 107 108 109 110 56 111 112 113 114 115 60 116 117 118 119 120 121 122 123 58 124 58 62 125 126 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 1.4604 1.4394 1.4329 1.4604 1.4253 1.4441 1.4314 1.4302 1.4354 1.3998 1.4396 1.4137 1.4445 1.4319 1.4323 0.972 1.4279 1.4235 1.4339 1.4216 1.431 1.4433 1.4396 0.9674 1.4264 0.9682 1.43 1.4206 1.4247 1.4253 1.2637 1.2582 1.5453 1.5461 1.5257 1.5299 1.1031 1.5467 1.5498 1.5291 1.5281 1.5316 1.534 1.0921 1.0932 1.5671 1.1002 1.0944 1.091 1.5348 1.0945 1.0924 1.0956 1.0905 1.5353 1.0945 1.0942 1.5451 1.5463 1.0972 1.5399 1.0928 1.5497 1.535 1.0981 1.0968 1.531 1.53 1.102 1.092 1.0928 1.5619 1.5394 1.0964 1.0933 1.0927 1.0927 1.092 1.0942 1.0915 1.5364 1.1035 1.5475 1.0929 1.5451 1.5333 1.0932 1.5392 1.0941 1.0958 1.0941 1.0922 1.5462 1.0974 1.0959 1.0947 1.0918 1.0944 1.5438 1.5335 1.0983 1.5413 1.0947 1.5291 1.5431 1.533 1.0934 1.5349 1.5238 1.0998 1.0968 1.0936 1.0952 1.5397 1.0952 1.0941 1.0963 1.0948 1.0936 1.5591 1.0963 1.0953 1.0933 1.093 1.0934 1.0941 1.0929 1.093 1.5372 1.1 1.5496 1.5294 1.0952 1.0978 1.095 1.0928 1.096 1.093 1.0974 1.0969 1.0945 1.0904 1.0937 1.0979 1.0993 1.0919 1.096 1.0935 1.0937 -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 18 19 21 23 29 37 38 31 40 45 49 46 48 56 58 1 1 1 19 19 22 2 2 2 18 18 25 2 2 2 23 23 26 1 1 1 3 3 24 18 18 18 24 24 66 4 4 4 20 20 29 21 21 21 22 22 69 19 19 19 26 26 71 20 20 20 25 25 73 21 21 21 31 31 75 3 3 3 30 30 34 5 5 5 23 23 33 28 28 28 31 31 41 8 8 8 27 27 30 4 4 4 33 33 37 29 29 29 32 32 82 28 28 28 38 38 43 18 18 18 85 85 86 20 20 20 88 88 89 6 6 6 32 32 39 7 7 7 34 34 40 37 37 37 42 42 50 9 9 9 38 38 45 30 30 30 95 95 96 39 39 39 44 44 98 34 34 34 100 100 101 42 42 42 46 46 52 10 10 10 40 40 47 6 6 6 12 12 44 45 45 45 48 48 55 7 7 7 13 13 47 5 5 5 11 11 51 39 39 39 108 108 109 49 49 49 56 56 111 44 44 44 113 113 114 48 48 48 60 60 116 46 46 46 118 118 119 47 47 47 121 121 122 14 14 14 51 51 58 11 11 11 58 58 62 15 15 15 56 56 57 9 9 9 129 129 130 16 16 17 10 10 10 132 132 133 57 57 57 135 135 136 14 14 14 138 138 139 15 15 15 141 141 142 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 30 30 30 30 30 30 31 31 31 31 31 31 32 32 32 32 32 32 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 35 35 35 36 36 36 36 36 36 37 37 37 37 37 37 38 38 38 38 38 38 39 39 39 39 39 39 40 40 40 40 40 40 41 41 41 41 41 41 42 42 42 42 42 42 43 43 43 43 43 43 44 44 44 44 44 44 45 45 45 45 45 45 46 46 46 46 46 46 47 47 47 47 47 47 48 48 48 48 48 48 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 54 54 54 54 54 54 55 55 55 55 55 55 56 56 56 56 56 56 57 57 57 57 57 57 58 58 58 58 58 58 59 59 59 59 59 59 60 60 60 61 61 61 61 61 61 62 62 62 62 62 62 63 63 63 63 63 63 64 64 64 64 64 64 21 20 28 32 49 46 48 106 59 61 57 127 128 63 64 19 22 35 22 35 35 18 25 65 25 65 65 23 26 36 26 36 36 3 24 27 24 27 27 24 66 67 66 67 67 20 29 68 29 68 68 22 69 70 69 70 70 26 71 72 71 72 72 25 73 74 73 74 74 31 75 76 75 76 76 30 34 77 34 77 77 23 33 78 33 78 78 31 41 79 41 79 79 27 30 80 30 80 80 33 37 81 37 81 81 32 82 83 82 83 83 38 43 84 43 84 84 85 86 87 86 87 87 88 89 90 89 90 90 32 39 91 39 91 91 34 40 92 40 92 92 42 50 93 50 93 93 38 45 94 45 94 94 95 96 97 96 97 97 44 98 99 98 99 99 100 101 102 101 102 102 46 52 103 52 103 103 40 47 104 47 104 104 12 44 54 44 54 54 48 55 105 55 105 105 13 47 53 47 53 53 11 51 107 51 107 107 108 109 110 109 110 110 56 111 112 111 112 112 113 114 115 114 115 115 60 116 117 116 117 117 118 119 120 119 120 120 121 122 123 122 123 123 51 58 124 58 124 124 58 62 125 62 125 125 56 57 126 57 126 126 129 130 131 130 131 131 17 53 53 132 133 134 133 134 134 135 136 137 136 137 137 138 139 140 139 140 140 141 142 143 142 143 143 112.1316 111.0069 114.4749 108.6379 114.5423 119.61 117.2156 106.8349 117.105 116.9605 115.5714 108.0253 107.1367 114.0199 120.5496 105.4741 104.4183 109.3172 110.8614 113.271 112.8365 108.8426 105.2893 109.235 117.6686 107.1472 108.4698 105.4767 104.737 107.3555 111.8086 112.852 113.803 110.3762 104.3312 107.6672 107.4402 110.5817 116.2337 103.8755 111.277 109.9899 113.3258 110.1805 108.1503 108.6477 106.0801 108.357 119.5272 106.6267 107.2059 102.8168 109.1489 111.5268 111.2984 113.6911 108.2511 101.5517 111.1148 112.3089 110.7624 113.1875 107.8911 104.1783 109.0407 112.4786 110.1229 113.6236 107.3442 111.3852 108.2093 109.4653 109.915 110.048 107.7277 111.1677 109.587 107.4542 116.5018 105.4939 106.0635 112.9357 111.9376 107.938 103.9484 108.3427 111.7159 108.2924 116.0549 106.4287 111.3058 106.1274 108.075 111.2556 111.5132 105.6991 110.4304 109.2597 108.5186 104.3083 109.6877 109.5402 116.1431 109.6044 107.4453 103.5034 108.4742 113.2536 109.533 112.7624 109.1149 115.2774 110.9599 104.4896 114.6493 103.8667 106.3678 111.6819 109.9737 109.7755 108.2901 108.0998 108.9539 110.4412 109.377 110.5563 108.8291 108.6813 108.9179 107.1924 111.6021 108.5675 114.0284 106.4394 108.7695 104.5835 108.3603 108.8377 116.8504 109.7897 108.1604 109.1297 113.2301 106.0412 111.2216 108.3046 108.676 113.2944 112.972 104.2597 110.2785 107.5321 108.0572 110.1016 112.2458 111.0377 107.6238 107.734 107.9247 113.8068 109.7838 108.6991 108.1864 109.7153 106.3896 109.8629 111.6279 111.2788 108.6723 107.137 108.1171 110.2006 110.9286 108.4309 114.0297 105.139 107.7848 112.3161 113.0315 103.2001 111.0525 108.9344 107.8498 106.0085 110.3023 105.4307 110.8897 109.6514 114.1187 108.7607 111.6584 110.2615 113.288 104.3122 108.3031 109.9552 110.0619 104.7626 106.6063 110.0774 115.3637 107.1986 108.4366 110.5123 110.9756 109.3078 110.3606 111.43 111.9526 109.9863 108.2792 107.4338 107.5759 110.2126 108.4944 109.6444 110.2954 110.484 107.6498 111.1198 109.9704 112.503 107.1352 108.3444 107.5582 116.6384 107.0659 107.8573 108.543 108.8728 107.5171 111.5223 108.8341 110.7579 108.4892 108.4043 108.7677 111.2904 110.0846 110.6019 108.1511 108.5599 108.0556 110.4353 110.3961 109.3564 108.1982 109.881 108.5423 108.0674 112.5977 103.6875 117.3713 106.3696 107.6924 117.5294 111.9428 103.895 113.0144 104.1931 104.591 112.4564 106.0291 111.6564 108.2124 109.6873 108.6127 127.1188 116.6863 116.1707 106.2621 112.6917 112.0116 108.3182 108.4799 108.9082 109.1546 112.6465 109.6504 109.2613 107.8562 108.155 112.3714 111.268 106.9675 108.5043 108.6488 108.9974 112.2302 105.2913 113.1155 108.5043 108.4539 109.0906 -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|-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 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 21 21 21 18 18 18 20 20 20 19 19 19 28 28 28 21 21 21 32 32 32 23 23 23 49 49 49 29 29 29 46 46 46 37 37 37 48 48 48 38 38 38 106 106 106 59 59 59 40 40 40 61 61 61 45 45 45 57 57 57 49 49 49 127 127 127 128 128 128 63 63 63 56 56 56 64 64 64 58 58 58 1 1 1 22 22 22 35 35 35 1 1 1 19 19 19 35 35 35 1 1 1 19 19 19 22 22 22 2 2 2 18 18 18 65 65 65 2 2 2 26 26 26 36 36 36 2 2 2 23 23 23 36 36 36 2 2 2 23 23 23 26 26 26 1 1 1 3 3 3 27 27 27 1 1 1 3 3 3 24 24 24 18 18 18 66 66 66 67 67 67 4 4 4 20 20 20 68 68 68 19 19 19 71 71 71 72 72 72 21 21 21 75 75 75 76 76 76 3 3 3 34 34 34 77 77 77 3 3 3 30 30 30 77 77 77 5 5 5 23 23 23 78 78 78 28 28 28 41 41 41 79 79 79 28 28 28 31 31 31 79 79 79 4 4 4 37 37 37 81 81 81 4 4 4 33 33 33 81 81 81 28 28 28 43 43 43 84 84 84 28 28 28 38 38 38 84 84 84 6 6 6 32 32 32 91 91 91 7 7 7 34 34 34 92 92 92 37 37 37 50 50 50 93 93 93 37 37 37 42 42 42 93 93 93 9 9 9 38 38 38 94 94 94 39 39 39 98 98 98 99 99 99 42 42 42 52 52 52 103 103 103 42 42 42 46 46 46 103 103 103 10 10 10 40 40 40 104 104 104 6 6 6 12 12 12 44 44 44 45 45 45 55 55 55 105 105 105 45 45 45 48 48 48 105 105 105 7 7 7 13 13 13 47 47 47 5 5 5 11 11 11 107 107 107 49 49 49 111 111 111 112 112 112 48 48 116 116 117 117 14 14 14 51 51 51 124 124 124 11 11 11 62 62 62 125 125 125 11 11 11 58 58 58 125 125 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 25 25 25 25 25 25 25 25 25 27 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 37 37 37 37 37 37 37 37 37 38 38 38 38 38 38 38 38 38 39 39 39 39 39 39 39 39 39 39 39 39 39 39 39 39 39 39 40 40 40 40 40 40 40 40 40 42 42 42 42 42 42 42 42 42 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 45 45 45 45 45 45 45 45 45 46 46 46 46 46 46 46 46 46 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 48 48 48 48 48 48 48 48 48 49 49 49 49 49 49 49 49 49 51 51 51 51 51 51 51 51 51 53 53 53 53 53 53 56 56 56 56 56 56 56 56 56 57 57 57 57 57 57 57 57 57 57 57 57 57 57 57 57 57 18 18 18 21 21 21 19 19 19 20 20 20 21 21 21 28 28 28 23 23 23 32 32 32 29 29 29 49 49 49 37 37 37 46 46 46 38 38 38 48 48 48 31 31 31 40 40 40 59 59 59 45 45 45 61 61 61 49 49 49 57 57 57 46 46 46 48 48 48 56 56 56 63 63 63 58 58 58 64 64 64 19 19 19 19 19 19 19 19 19 22 22 22 22 22 22 22 22 22 35 35 35 35 35 35 35 35 35 25 25 25 25 25 25 25 25 25 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 26 26 26 36 36 36 36 36 36 36 36 36 24 24 24 24 24 24 24 24 24 27 27 27 27 27 27 27 27 27 24 24 24 24 24 24 24 24 24 29 29 29 29 29 29 29 29 29 26 26 26 26 26 26 26 26 26 31 31 31 31 31 31 31 31 31 30 30 30 30 30 30 30 30 30 34 34 34 34 34 34 34 34 34 33 33 33 33 33 33 33 33 33 31 31 31 31 31 31 31 31 31 41 41 41 41 41 41 41 41 41 33 33 33 33 33 33 33 33 33 37 37 37 37 37 37 37 37 37 38 38 38 38 38 38 38 38 38 43 43 43 43 43 43 43 43 43 39 39 39 39 39 39 39 39 39 40 40 40 40 40 40 40 40 40 42 42 42 42 42 42 42 42 42 50 50 50 50 50 50 50 50 50 45 45 45 45 45 45 45 45 45 44 44 44 44 44 44 44 44 44 46 46 46 46 46 46 46 46 46 52 52 52 52 52 52 52 52 52 47 47 47 47 47 47 47 47 47 54 54 54 54 54 54 54 54 54 48 48 48 48 48 48 48 48 48 55 55 55 55 55 55 55 55 55 53 53 53 53 53 53 53 53 53 51 51 51 51 51 51 51 51 51 56 56 56 56 56 56 56 56 56 60 60 60 60 60 60 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 62 62 62 62 62 62 62 62 19 22 35 3 24 27 18 25 65 23 26 36 1 24 27 30 34 77 20 29 68 33 37 81 23 33 78 11 51 107 32 39 91 12 44 54 34 40 92 13 47 53 27 30 80 38 45 94 129 130 131 40 47 104 132 133 134 5 51 107 58 62 125 6 44 54 7 47 53 51 58 124 138 139 140 56 57 126 141 142 143 2 25 65 2 25 65 2 25 65 24 66 67 24 66 67 24 66 67 85 86 87 85 86 87 85 86 87 26 71 72 26 71 72 26 71 72 4 29 68 4 29 68 4 29 68 25 73 74 25 73 74 25 73 74 88 89 90 88 89 90 88 89 90 22 69 70 22 69 70 22 69 70 31 75 76 31 75 76 31 75 76 21 69 70 21 69 70 21 69 70 5 33 78 5 33 78 5 33 78 20 73 74 20 73 74 20 73 74 8 30 80 8 30 80 8 30 80 31 41 79 31 41 79 31 41 79 38 43 84 38 43 84 38 43 84 32 82 83 32 82 83 32 82 83 8 27 80 8 27 80 8 27 80 95 96 97 95 96 97 95 96 97 29 82 83 29 82 83 29 82 83 6 39 91 6 39 91 6 39 91 7 40 92 7 40 92 7 40 92 100 101 102 100 101 102 100 101 102 42 50 93 42 50 93 42 50 93 9 45 94 9 45 94 9 45 94 44 98 99 44 98 99 44 98 99 108 109 110 108 109 110 108 109 110 10 47 104 10 47 104 10 47 104 46 52 103 46 52 103 46 52 103 6 12 54 6 12 54 6 12 54 113 114 115 113 114 115 113 114 115 48 55 105 48 55 105 48 55 105 118 119 120 118 119 120 118 119 120 7 13 53 7 13 53 7 13 53 121 122 123 121 122 123 121 122 123 60 116 117 60 116 117 60 116 117 56 111 112 56 111 112 56 111 112 14 58 124 14 58 124 14 58 124 16 17 16 17 16 17 15 57 126 15 57 126 15 57 126 15 56 126 15 56 126 15 56 126 135 136 137 135 136 137 135 136 116.099 -0.8175 -121.7984 94.4606 -20.682 -144.7507 -150.7855 -23.7762 92.5341 120.0264 1.8993 -119.395 61.2618 174.4314 -57.7698 60.1833 -169.5993 -54.7803 155.2417 25.5543 -89.2807 -37.6822 -162.7266 79.5725 150.1194 -92.9699 30.3732 -73.4226 166.6975 45.6131 -154.6347 -29.1174 90.7556 89.7994 -30.3111 -153.9602 176.3034 -58.381 59.0195 -57.6102 59.5376 -175.863 -35.7573 88.0173 -154.2455 -78.3409 47.9834 165.0548 54.8755 172.9494 -68.927 55.6347 -70.9804 172.7993 172.4106 53.9318 -69.2909 -178.2549 -60.0115 61.9359 56.8987 -74.3702 169.5154 165.4754 -74.7977 52.1234 -68.216 172.5016 46.7032 84.5239 -155.865 -36.5098 -61.7922 60.1117 179.057 -35.79 97.469 -150.232 65.5774 -176.5707 -57.534 177.3649 57.7923 -64.6278 -70.178 170.2493 47.8292 57.847 -61.7256 175.8543 21.8536 144.1223 -96.0503 -91.2741 30.9946 150.822 140.4654 -97.2659 22.5615 -57.86 -178.1143 62.0227 59.4309 -60.8233 179.3136 -173.5759 66.1699 -53.6932 35.3051 -82.5212 156.5207 156.73 38.9037 -82.0543 -81.5277 160.646 39.688 61.0963 -177.094 -55.4976 174.3682 -63.822 57.7744 -55.8128 65.997 -172.4066 20.527 -97.0263 144.0201 -93.2042 149.2425 30.289 137.4731 19.9197 -99.0338 -63.6526 56.0964 176.0264 52.1388 171.8879 -68.1821 -179.0666 -59.3175 60.6125 33.3804 -84.8697 155.5691 -83.8094 157.9405 38.3793 151.7463 33.4962 -86.065 -66.8326 172.2424 55.0972 53.827 -67.0981 175.7567 176.6437 55.7186 -61.4265 -33.7529 82.9752 -154.468 -154.6548 -37.9266 84.6301 84.019 -159.2529 -36.6961 118.357 -3.1829 -122.13 -4.716 -126.2559 114.797 -126.0244 112.4357 -6.5114 -33.6315 83.172 -156.3778 84.4489 -158.7476 -38.2974 -154.2318 -37.4283 83.0219 70.8781 -53.5099 -172.7967 -169.2005 66.4114 -52.8753 -50.7136 -175.1016 65.6116 -56.2318 69.7549 -169.9652 177.271 -56.7423 63.5375 59.9435 -174.0698 -53.79 -49.4458 82.9922 -162.7605 77.8338 -149.7282 -35.4809 -165.1523 -32.7143 81.5331 -140.3692 -24.0885 97.1998 -18.1665 98.1142 -140.5974 98.446 -145.2734 -23.985 -70.435 53.8053 173.54 160.8483 -74.9114 44.8234 43.4977 167.738 -72.5273 -176.6411 -56.7716 64.1311 -52.1915 67.678 -171.4193 63.9706 -176.16 -55.2572 33.7493 -81.7805 156.5066 154.5789 39.0491 -82.6638 -83.461 161.0092 39.2963 71.4503 -52.5973 -172.5213 -46.4555 -170.5032 69.5728 -169.5501 66.4022 -53.5218 -123.4821 116.7479 -6.8543 105.8298 -13.9402 -137.5424 -9.8055 -129.5755 106.8224 52.6786 -67.9468 171.1626 -174.5654 64.8092 -56.0814 -60.3853 178.9893 58.0987 58.7665 -176.7746 -57.6968 -179.5919 -55.1329 63.9449 -60.9874 63.4715 -177.4507 -178.2636 53.9964 -63.602 -60.5295 171.7306 54.1322 63.9027 -63.8372 178.5644 -27.6183 93.7967 -150.2064 -153.2475 -31.8325 84.1644 87.3939 -151.1911 -35.1942 -54.8981 66.5339 -173.9258 68.4163 -170.1517 -50.6114 -172.4469 -51.0149 68.5254 48.675 176.3479 -65.0137 176.5923 -55.7348 62.9036 -66.1339 61.539 -179.8226 -28.2138 -155.4614 86.3649 -150.5131 82.2393 -35.9345 93.8145 -33.4331 -151.6068 59.6618 -57.4631 178.1167 -174.8329 68.0422 -56.378 -56.9883 -174.1132 61.4666 65.9082 -52.5432 -172.409 -59.2116 -177.6629 62.4713 -175.5269 66.0218 -53.844 -177.5852 -51.8432 68.6063 55.1317 -179.1263 -58.6768 -64.1583 61.5837 -177.9668 -171.5555 -51.906 67.6197 -57.8302 61.8194 -178.655 67.2493 -173.1012 -53.5755 -54.6365 64.5766 -172.8876 -179.4251 -60.212 62.3238 63.016 -177.7709 -55.2351 -69.2679 50.6315 169.9724 53.9389 173.8383 -66.8208 169.1432 -70.9575 48.3834 -57.7672 63.9788 179.4268 -175.937 -54.1911 61.257 63.3981 -174.8559 -59.4079 174.3643 53.507 -63.807 56.8735 -63.9839 178.7021 -64.4577 174.685 57.371 66.7134 -54.2163 -172.5656 -173.5136 65.5567 -52.7927 -54.6164 -175.5461 66.1046 -58.3865 123.2724 -179.354 2.3049 63.8912 -114.4499 66.1419 -66.6419 -179.5808 -172.9041 54.3121 -58.6268 -53.7053 173.5109 60.572 170.4742 -54.0856 58.6106 -60.9146 74.5257 -172.7781 59.6661 -164.8936 -52.1974 -52.4921 69.0621 -170.4422 -178.9161 -57.362 63.1338 61.1985 -177.2474 -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 = 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Gaussian 16 GINC-WATSON SGERVASONI NEW-compound opt 6-31G** ES64L-G16RevA.03 RB3LYP 6-31G(d,p) Freq #N Geom=AllCheck Guess=TCheck SCRF=Check Test GenChk RB3LYP/6-31G(d,p) Freq 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 0 836.4927000000009 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NEW-compound opt 6-31G** Redundant internal coordinates found in file. (old form). Charge = -1 Multiplicity = 1 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 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 17 18 18 18 19 19 20 20 20 21 21 22 22 22 23 23 24 24 25 25 25 26 26 27 27 27 28 28 28 29 29 30 30 30 31 32 32 32 33 33 34 34 34 35 35 35 36 36 36 37 37 38 38 39 39 39 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 46 47 47 47 48 49 49 50 50 50 51 51 51 52 52 52 53 53 53 54 54 54 55 55 55 56 56 57 57 57 58 59 59 59 61 61 61 62 62 62 63 63 63 64 64 64 18 21 19 20 21 28 23 32 29 49 37 46 38 48 31 106 40 59 45 61 49 57 46 127 48 128 56 63 58 64 60 60 19 22 35 25 65 23 26 36 24 27 24 66 67 29 68 69 70 26 71 72 73 74 31 75 76 30 34 77 33 78 31 41 79 80 33 37 81 82 83 38 43 84 85 86 87 88 89 90 39 91 40 92 42 50 93 45 94 95 96 97 44 98 99 100 101 102 46 52 103 47 104 54 48 55 105 53 51 107 108 109 110 56 111 112 113 114 115 60 116 117 118 119 120 121 122 123 58 124 58 62 125 126 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 1.4604 1.4394 1.4329 1.4604 1.4253 1.4441 1.4314 1.4302 1.4354 1.3998 1.4396 1.4137 1.4445 1.4319 1.4323 0.972 1.4279 1.4235 1.4339 1.4216 1.431 1.4433 1.4396 0.9674 1.4264 0.9682 1.43 1.4206 1.4247 1.4253 1.2637 1.2582 1.5453 1.5461 1.5257 1.5299 1.1031 1.5467 1.5498 1.5291 1.5281 1.5316 1.534 1.0921 1.0932 1.5671 1.1002 1.0944 1.091 1.5348 1.0945 1.0924 1.0956 1.0905 1.5353 1.0945 1.0942 1.5451 1.5463 1.0972 1.5399 1.0928 1.5497 1.535 1.0981 1.0968 1.531 1.53 1.102 1.092 1.0928 1.5619 1.5394 1.0964 1.0933 1.0927 1.0927 1.092 1.0942 1.0915 1.5364 1.1035 1.5475 1.0929 1.5451 1.5333 1.0932 1.5392 1.0941 1.0958 1.0941 1.0922 1.5462 1.0974 1.0959 1.0947 1.0918 1.0944 1.5438 1.5335 1.0983 1.5413 1.0947 1.5291 1.5431 1.533 1.0934 1.5349 1.5238 1.0998 1.0968 1.0936 1.0952 1.5397 1.0952 1.0941 1.0963 1.0948 1.0936 1.5591 1.0963 1.0953 1.0933 1.093 1.0934 1.0941 1.0929 1.093 1.5372 1.1 1.5496 1.5294 1.0952 1.0978 1.095 1.0928 1.096 1.093 1.0974 1.0969 1.0945 1.0904 1.0937 1.0979 1.0993 1.0919 1.096 1.0935 1.0937 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|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|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|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|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|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|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|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 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 18 19 21 23 29 37 38 31 40 45 49 46 48 56 58 1 1 1 19 19 22 2 2 2 18 18 25 2 2 2 23 23 26 1 1 1 3 3 24 18 18 18 24 24 66 4 4 4 20 20 29 21 21 21 22 22 69 19 19 19 26 26 71 20 20 20 25 25 73 21 21 21 31 31 75 3 3 3 30 30 34 5 5 5 23 23 33 28 28 28 31 31 41 8 8 8 27 27 30 4 4 4 33 33 37 29 29 29 32 32 82 28 28 28 38 38 43 18 18 18 85 85 86 20 20 20 88 88 89 6 6 6 32 32 39 7 7 7 34 34 40 37 37 37 42 42 50 9 9 9 38 38 45 30 30 30 95 95 96 39 39 39 44 44 98 34 34 34 100 100 101 42 42 42 46 46 52 10 10 10 40 40 47 6 6 6 12 12 44 45 45 45 48 48 55 7 7 7 13 13 47 5 5 5 11 11 51 39 39 39 108 108 109 49 49 49 56 56 111 44 44 44 113 113 114 48 48 48 60 60 116 46 46 46 118 118 119 47 47 47 121 121 122 14 14 14 51 51 58 11 11 11 58 58 62 15 15 15 56 56 57 9 9 9 129 129 130 16 16 17 10 10 10 132 132 133 57 57 57 135 135 136 14 14 14 138 138 139 15 15 15 141 141 142 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 30 30 30 30 30 30 31 31 31 31 31 31 32 32 32 32 32 32 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 35 35 35 36 36 36 36 36 36 37 37 37 37 37 37 38 38 38 38 38 38 39 39 39 39 39 39 40 40 40 40 40 40 41 41 41 41 41 41 42 42 42 42 42 42 43 43 43 43 43 43 44 44 44 44 44 44 45 45 45 45 45 45 46 46 46 46 46 46 47 47 47 47 47 47 48 48 48 48 48 48 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 54 54 54 54 54 54 55 55 55 55 55 55 56 56 56 56 56 56 57 57 57 57 57 57 58 58 58 58 58 58 59 59 59 59 59 59 60 60 60 61 61 61 61 61 61 62 62 62 62 62 62 63 63 63 63 63 63 64 64 64 64 64 64 21 20 28 32 49 46 48 106 59 61 57 127 128 63 64 19 22 35 22 35 35 18 25 65 25 65 65 23 26 36 26 36 36 3 24 27 24 27 27 24 66 67 66 67 67 20 29 68 29 68 68 22 69 70 69 70 70 26 71 72 71 72 72 25 73 74 73 74 74 31 75 76 75 76 76 30 34 77 34 77 77 23 33 78 33 78 78 31 41 79 41 79 79 27 30 80 30 80 80 33 37 81 37 81 81 32 82 83 82 83 83 38 43 84 43 84 84 85 86 87 86 87 87 88 89 90 89 90 90 32 39 91 39 91 91 34 40 92 40 92 92 42 50 93 50 93 93 38 45 94 45 94 94 95 96 97 96 97 97 44 98 99 98 99 99 100 101 102 101 102 102 46 52 103 52 103 103 40 47 104 47 104 104 12 44 54 44 54 54 48 55 105 55 105 105 13 47 53 47 53 53 11 51 107 51 107 107 108 109 110 109 110 110 56 111 112 111 112 112 113 114 115 114 115 115 60 116 117 116 117 117 118 119 120 119 120 120 121 122 123 122 123 123 51 58 124 58 124 124 58 62 125 62 125 125 56 57 126 57 126 126 129 130 131 130 131 131 17 53 53 132 133 134 133 134 134 135 136 137 136 137 137 138 139 140 139 140 140 141 142 143 142 143 143 112.1316 111.0069 114.4749 108.6379 114.5423 119.61 117.2156 106.8349 117.105 116.9605 115.5714 108.0253 107.1367 114.0199 120.5496 105.4741 104.4183 109.3172 110.8614 113.271 112.8365 108.8426 105.2893 109.235 117.6686 107.1472 108.4698 105.4767 104.737 107.3555 111.8086 112.852 113.803 110.3762 104.3312 107.6672 107.4402 110.5817 116.2337 103.8755 111.277 109.9899 113.3258 110.1805 108.1503 108.6477 106.0801 108.357 119.5272 106.6267 107.2059 102.8168 109.1489 111.5268 111.2984 113.6911 108.2511 101.5517 111.1148 112.3089 110.7624 113.1875 107.8911 104.1783 109.0407 112.4786 110.1229 113.6236 107.3442 111.3852 108.2093 109.4653 109.915 110.048 107.7277 111.1677 109.587 107.4542 116.5018 105.4939 106.0635 112.9357 111.9376 107.938 103.9484 108.3427 111.7159 108.2924 116.0549 106.4287 111.3058 106.1274 108.075 111.2556 111.5132 105.6991 110.4304 109.2597 108.5186 104.3083 109.6877 109.5402 116.1431 109.6044 107.4453 103.5034 108.4742 113.2536 109.533 112.7624 109.1149 115.2774 110.9599 104.4896 114.6493 103.8667 106.3678 111.6819 109.9737 109.7755 108.2901 108.0998 108.9539 110.4412 109.377 110.5563 108.8291 108.6813 108.9179 107.1924 111.6021 108.5675 114.0284 106.4394 108.7695 104.5835 108.3603 108.8377 116.8504 109.7897 108.1604 109.1297 113.2301 106.0412 111.2216 108.3046 108.676 113.2944 112.972 104.2597 110.2785 107.5321 108.0572 110.1016 112.2458 111.0377 107.6238 107.734 107.9247 113.8068 109.7838 108.6991 108.1864 109.7153 106.3896 109.8629 111.6279 111.2788 108.6723 107.137 108.1171 110.2006 110.9286 108.4309 114.0297 105.139 107.7848 112.3161 113.0315 103.2001 111.0525 108.9344 107.8498 106.0085 110.3023 105.4307 110.8897 109.6514 114.1187 108.7607 111.6584 110.2615 113.288 104.3122 108.3031 109.9552 110.0619 104.7626 106.6063 110.0774 115.3637 107.1986 108.4366 110.5123 110.9756 109.3078 110.3606 111.43 111.9526 109.9863 108.2792 107.4338 107.5759 110.2126 108.4944 109.6444 110.2954 110.484 107.6498 111.1198 109.9704 112.503 107.1352 108.3444 107.5582 116.6384 107.0659 107.8573 108.543 108.8728 107.5171 111.5223 108.8341 110.7579 108.4892 108.4043 108.7677 111.2904 110.0846 110.6019 108.1511 108.5599 108.0556 110.4353 110.3961 109.3564 108.1982 109.881 108.5423 108.0674 112.5977 103.6875 117.3713 106.3696 107.6924 117.5294 111.9428 103.895 113.0144 104.1931 104.591 112.4564 106.0291 111.6564 108.2124 109.6873 108.6127 127.1188 116.6863 116.1707 106.2621 112.6917 112.0116 108.3182 108.4799 108.9082 109.1546 112.6465 109.6504 109.2613 107.8562 108.155 112.3714 111.268 106.9675 108.5043 108.6488 108.9974 112.2302 105.2913 113.1155 108.5043 108.4539 109.0906 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 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 21 21 21 18 18 18 20 20 20 19 19 19 28 28 28 21 21 21 32 32 32 23 23 23 49 49 49 29 29 29 46 46 46 37 37 37 48 48 48 38 38 38 106 106 106 59 59 59 40 40 40 61 61 61 45 45 45 57 57 57 49 49 49 127 127 127 128 128 128 63 63 63 56 56 56 64 64 64 58 58 58 1 1 1 22 22 22 35 35 35 1 1 1 19 19 19 35 35 35 1 1 1 19 19 19 22 22 22 2 2 2 18 18 18 65 65 65 2 2 2 26 26 26 36 36 36 2 2 2 23 23 23 36 36 36 2 2 2 23 23 23 26 26 26 1 1 1 3 3 3 27 27 27 1 1 1 3 3 3 24 24 24 18 18 18 66 66 66 67 67 67 4 4 4 20 20 20 68 68 68 19 19 19 71 71 71 72 72 72 21 21 21 75 75 75 76 76 76 3 3 3 34 34 34 77 77 77 3 3 3 30 30 30 77 77 77 5 5 5 23 23 23 78 78 78 28 28 28 41 41 41 79 79 79 28 28 28 31 31 31 79 79 79 4 4 4 37 37 37 81 81 81 4 4 4 33 33 33 81 81 81 28 28 28 43 43 43 84 84 84 28 28 28 38 38 38 84 84 84 6 6 6 32 32 32 91 91 91 7 7 7 34 34 34 92 92 92 37 37 37 50 50 50 93 93 93 37 37 37 42 42 42 93 93 93 9 9 9 38 38 38 94 94 94 39 39 39 98 98 98 99 99 99 42 42 42 52 52 52 103 103 103 42 42 42 46 46 46 103 103 103 10 10 10 40 40 40 104 104 104 6 6 6 12 12 12 44 44 44 45 45 45 55 55 55 105 105 105 45 45 45 48 48 48 105 105 105 7 7 7 13 13 13 47 47 47 5 5 5 11 11 11 107 107 107 49 49 49 111 111 111 112 112 112 48 48 116 116 117 117 14 14 14 51 51 51 124 124 124 11 11 11 62 62 62 125 125 125 11 11 11 58 58 58 125 125 125 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 25 25 25 25 25 25 25 25 25 27 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 34 37 37 37 37 37 37 37 37 37 38 38 38 38 38 38 38 38 38 39 39 39 39 39 39 39 39 39 39 39 39 39 39 39 39 39 39 40 40 40 40 40 40 40 40 40 42 42 42 42 42 42 42 42 42 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 45 45 45 45 45 45 45 45 45 46 46 46 46 46 46 46 46 46 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 48 48 48 48 48 48 48 48 48 49 49 49 49 49 49 49 49 49 51 51 51 51 51 51 51 51 51 53 53 53 53 53 53 56 56 56 56 56 56 56 56 56 57 57 57 57 57 57 57 57 57 57 57 57 57 57 57 57 57 57 18 18 18 21 21 21 19 19 19 20 20 20 21 21 21 28 28 28 23 23 23 32 32 32 29 29 29 49 49 49 37 37 37 46 46 46 38 38 38 48 48 48 31 31 31 40 40 40 59 59 59 45 45 45 61 61 61 49 49 49 57 57 57 46 46 46 48 48 48 56 56 56 63 63 63 58 58 58 64 64 64 19 19 19 19 19 19 19 19 19 22 22 22 22 22 22 22 22 22 35 35 35 35 35 35 35 35 35 25 25 25 25 25 25 25 25 25 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 26 26 26 36 36 36 36 36 36 36 36 36 24 24 24 24 24 24 24 24 24 27 27 27 27 27 27 27 27 27 24 24 24 24 24 24 24 24 24 29 29 29 29 29 29 29 29 29 26 26 26 26 26 26 26 26 26 31 31 31 31 31 31 31 31 31 30 30 30 30 30 30 30 30 30 34 34 34 34 34 34 34 34 34 33 33 33 33 33 33 33 33 33 31 31 31 31 31 31 31 31 31 41 41 41 41 41 41 41 41 41 33 33 33 33 33 33 33 33 33 37 37 37 37 37 37 37 37 37 38 38 38 38 38 38 38 38 38 43 43 43 43 43 43 43 43 43 39 39 39 39 39 39 39 39 39 40 40 40 40 40 40 40 40 40 42 42 42 42 42 42 42 42 42 50 50 50 50 50 50 50 50 50 45 45 45 45 45 45 45 45 45 44 44 44 44 44 44 44 44 44 46 46 46 46 46 46 46 46 46 52 52 52 52 52 52 52 52 52 47 47 47 47 47 47 47 47 47 54 54 54 54 54 54 54 54 54 48 48 48 48 48 48 48 48 48 55 55 55 55 55 55 55 55 55 53 53 53 53 53 53 53 53 53 51 51 51 51 51 51 51 51 51 56 56 56 56 56 56 56 56 56 60 60 60 60 60 60 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 62 62 62 62 62 62 62 62 62 19 22 35 3 24 27 18 25 65 23 26 36 1 24 27 30 34 77 20 29 68 33 37 81 23 33 78 11 51 107 32 39 91 12 44 54 34 40 92 13 47 53 27 30 80 38 45 94 129 130 131 40 47 104 132 133 134 5 51 107 58 62 125 6 44 54 7 47 53 51 58 124 138 139 140 56 57 126 141 142 143 2 25 65 2 25 65 2 25 65 24 66 67 24 66 67 24 66 67 85 86 87 85 86 87 85 86 87 26 71 72 26 71 72 26 71 72 4 29 68 4 29 68 4 29 68 25 73 74 25 73 74 25 73 74 88 89 90 88 89 90 88 89 90 22 69 70 22 69 70 22 69 70 31 75 76 31 75 76 31 75 76 21 69 70 21 69 70 21 69 70 5 33 78 5 33 78 5 33 78 20 73 74 20 73 74 20 73 74 8 30 80 8 30 80 8 30 80 31 41 79 31 41 79 31 41 79 38 43 84 38 43 84 38 43 84 32 82 83 32 82 83 32 82 83 8 27 80 8 27 80 8 27 80 95 96 97 95 96 97 95 96 97 29 82 83 29 82 83 29 82 83 6 39 91 6 39 91 6 39 91 7 40 92 7 40 92 7 40 92 100 101 102 100 101 102 100 101 102 42 50 93 42 50 93 42 50 93 9 45 94 9 45 94 9 45 94 44 98 99 44 98 99 44 98 99 108 109 110 108 109 110 108 109 110 10 47 104 10 47 104 10 47 104 46 52 103 46 52 103 46 52 103 6 12 54 6 12 54 6 12 54 113 114 115 113 114 115 113 114 115 48 55 105 48 55 105 48 55 105 118 119 120 118 119 120 118 119 120 7 13 53 7 13 53 7 13 53 121 122 123 121 122 123 121 122 123 60 116 117 60 116 117 60 116 117 56 111 112 56 111 112 56 111 112 14 58 124 14 58 124 14 58 124 16 17 16 17 16 17 15 57 126 15 57 126 15 57 126 15 56 126 15 56 126 15 56 126 135 136 137 135 136 137 135 136 137 116.099 -0.8175 -121.7984 94.4606 -20.682 -144.7507 -150.7855 -23.7762 92.5341 120.0264 1.8993 -119.395 61.2618 174.4314 -57.7698 60.1833 -169.5993 -54.7803 155.2417 25.5543 -89.2807 -37.6822 -162.7266 79.5725 150.1194 -92.9699 30.3732 -73.4226 166.6975 45.6131 -154.6347 -29.1174 90.7556 89.7994 -30.3111 -153.9602 176.3034 -58.381 59.0195 -57.6102 59.5376 -175.863 -35.7573 88.0173 -154.2455 -78.3409 47.9834 165.0548 54.8755 172.9494 -68.927 55.6347 -70.9804 172.7993 172.4106 53.9318 -69.2909 -178.2549 -60.0115 61.9359 56.8987 -74.3702 169.5154 165.4754 -74.7977 52.1234 -68.216 172.5016 46.7032 84.5239 -155.865 -36.5098 -61.7922 60.1117 179.057 -35.79 97.469 -150.232 65.5774 -176.5707 -57.534 177.3649 57.7923 -64.6278 -70.178 170.2493 47.8292 57.847 -61.7256 175.8543 21.8536 144.1223 -96.0503 -91.2741 30.9946 150.822 140.4654 -97.2659 22.5615 -57.86 -178.1143 62.0227 59.4309 -60.8233 179.3136 -173.5759 66.1699 -53.6932 35.3051 -82.5212 156.5207 156.73 38.9037 -82.0543 -81.5277 160.646 39.688 61.0963 -177.094 -55.4976 174.3682 -63.822 57.7744 -55.8128 65.997 -172.4066 20.527 -97.0263 144.0201 -93.2042 149.2425 30.289 137.4731 19.9197 -99.0338 -63.6526 56.0964 176.0264 52.1388 171.8879 -68.1821 -179.0666 -59.3175 60.6125 33.3804 -84.8697 155.5691 -83.8094 157.9405 38.3793 151.7463 33.4962 -86.065 -66.8326 172.2424 55.0972 53.827 -67.0981 175.7567 176.6437 55.7186 -61.4265 -33.7529 82.9752 -154.468 -154.6548 -37.9266 84.6301 84.019 -159.2529 -36.6961 118.357 -3.1829 -122.13 -4.716 -126.2559 114.797 -126.0244 112.4357 -6.5114 -33.6315 83.172 -156.3778 84.4489 -158.7476 -38.2974 -154.2318 -37.4283 83.0219 70.8781 -53.5099 -172.7967 -169.2005 66.4114 -52.8753 -50.7136 -175.1016 65.6116 -56.2318 69.7549 -169.9652 177.271 -56.7423 63.5375 59.9435 -174.0698 -53.79 -49.4458 82.9922 -162.7605 77.8338 -149.7282 -35.4809 -165.1523 -32.7143 81.5331 -140.3692 -24.0885 97.1998 -18.1665 98.1142 -140.5974 98.446 -145.2734 -23.985 -70.435 53.8053 173.54 160.8483 -74.9114 44.8234 43.4977 167.738 -72.5273 -176.6411 -56.7716 64.1311 -52.1915 67.678 -171.4193 63.9706 -176.16 -55.2572 33.7493 -81.7805 156.5066 154.5789 39.0491 -82.6638 -83.461 161.0092 39.2963 71.4503 -52.5973 -172.5213 -46.4555 -170.5032 69.5728 -169.5501 66.4022 -53.5218 -123.4821 116.7479 -6.8543 105.8298 -13.9402 -137.5424 -9.8055 -129.5755 106.8224 52.6786 -67.9468 171.1626 -174.5654 64.8092 -56.0814 -60.3853 178.9893 58.0987 58.7665 -176.7746 -57.6968 -179.5919 -55.1329 63.9449 -60.9874 63.4715 -177.4507 -178.2636 53.9964 -63.602 -60.5295 171.7306 54.1322 63.9027 -63.8372 178.5644 -27.6183 93.7967 -150.2064 -153.2475 -31.8325 84.1644 87.3939 -151.1911 -35.1942 -54.8981 66.5339 -173.9258 68.4163 -170.1517 -50.6114 -172.4469 -51.0149 68.5254 48.675 176.3479 -65.0137 176.5923 -55.7348 62.9036 -66.1339 61.539 -179.8226 -28.2138 -155.4614 86.3649 -150.5131 82.2393 -35.9345 93.8145 -33.4331 -151.6068 59.6618 -57.4631 178.1167 -174.8329 68.0422 -56.378 -56.9883 -174.1132 61.4666 65.9082 -52.5432 -172.409 -59.2116 -177.6629 62.4713 -175.5269 66.0218 -53.844 -177.5852 -51.8432 68.6063 55.1317 -179.1263 -58.6768 -64.1583 61.5837 -177.9668 -171.5555 -51.906 67.6197 -57.8302 61.8194 -178.655 67.2493 -173.1012 -53.5755 -54.6365 64.5766 -172.8876 -179.4251 -60.212 62.3238 63.016 -177.7709 -55.2351 -69.2679 50.6315 169.9724 53.9389 173.8383 -66.8208 169.1432 -70.9575 48.3834 -57.7672 63.9788 179.4268 -175.937 -54.1911 61.257 63.3981 -174.8559 -59.4079 174.3643 53.507 -63.807 56.8735 -63.9839 178.7021 -64.4577 174.685 57.371 66.7134 -54.2163 -172.5656 -173.5136 65.5567 -52.7927 -54.6164 -175.5461 66.1046 -58.3865 123.2724 -179.354 2.3049 63.8912 -114.4499 66.1419 -66.6419 -179.5808 -172.9041 54.3121 -58.6268 -53.7053 173.5109 60.572 170.4742 -54.0856 58.6106 -60.9146 74.5257 -172.7781 59.6661 -164.8936 -52.1974 -52.4921 69.0621 -170.4422 -178.9161 -57.362 63.1338 61.1985 -177.2474 -56.7516 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|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|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 Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00058 0.00077 0.00109 0.00145 0.00182 0.00197 0.00216 0.00247 0.00263 0.00287 0.00302 0.00303 0.00310 0.00321 0.00337 0.00348 0.00352 0.00376 0.00384 0.00415 0.00451 0.00452 0.00462 0.00504 0.00515 0.00597 0.00622 0.00627 0.00651 0.00715 0.00721 0.00773 0.00783 0.00788 0.00810 0.00922 0.00940 0.00973 0.00983 0.01010 0.01073 0.01217 0.01286 0.01421 0.01476 0.01736 0.01805 0.02376 0.02388 0.02454 0.02509 0.02529 0.02553 0.02584 0.02643 0.02712 0.02805 0.02906 0.02921 0.02953 0.03201 0.03395 0.03580 0.03665 0.03767 0.03778 0.03815 0.03884 0.03931 0.04001 0.04014 0.04029 0.04073 0.04086 0.04110 0.04144 0.04148 0.04152 0.04172 0.04186 0.04221 0.04257 0.04319 0.04335 0.04348 0.04376 0.04414 0.04445 0.04468 0.04477 0.04531 0.04549 0.04577 0.04580 0.04596 0.04604 0.04620 0.04626 0.04632 0.04640 0.04666 0.04708 0.04722 0.04751 0.04757 0.04785 0.04823 0.04833 0.04896 0.04920 0.04960 0.05073 0.05115 0.05184 0.05279 0.05286 0.05352 0.05396 0.05428 0.05482 0.05541 0.05577 0.05666 0.05720 0.05793 0.05836 0.05893 0.05919 0.05960 0.06002 0.06011 0.06136 0.06170 0.06244 0.06278 0.06305 0.06364 0.06391 0.06448 0.06660 0.06673 0.06682 0.06740 0.06934 0.06984 0.07046 0.07238 0.07335 0.07342 0.07379 0.07490 0.07633 0.07638 0.07681 0.07804 0.07884 0.08065 0.08126 0.08245 0.08329 0.08457 0.08473 0.08639 0.08765 0.08796 0.08809 0.08851 0.08897 0.08906 0.08949 0.08966 0.08979 0.08994 0.09074 0.09203 0.09507 0.09675 0.10039 0.10209 0.10386 0.10726 0.10904 0.11082 0.11149 0.11690 0.11924 0.12025 0.12049 0.12057 0.12166 0.12195 0.12199 0.12292 0.12308 0.12314 0.12335 0.12395 0.12522 0.12794 0.12823 0.12829 0.12943 0.12976 0.12997 0.13057 0.13152 0.13402 0.13476 0.13818 0.13878 0.14066 0.14316 0.14396 0.14649 0.14652 0.14802 0.14840 0.14851 0.14959 0.14988 0.15098 0.15278 0.15457 0.15672 0.15756 0.15951 0.16042 0.16154 0.16249 0.16395 0.16951 0.17284 0.17402 0.18012 0.18055 0.18176 0.18263 0.18276 0.18344 0.18448 0.18485 0.18551 0.18607 0.18647 0.18769 0.18806 0.18856 0.19066 0.19190 0.19242 0.19340 0.19536 0.19734 0.19805 0.19953 0.20196 0.20325 0.20427 0.20597 0.20743 0.20797 0.20910 0.20951 0.21479 0.21634 0.21947 0.22107 0.22388 0.22529 0.22782 0.22999 0.23133 0.23155 0.23238 0.23276 0.23514 0.23619 0.23701 0.23797 0.23903 0.24407 0.24504 0.24921 0.25038 0.25117 0.25216 0.25546 0.25617 0.25953 0.26078 0.26200 0.26549 0.26738 0.26795 0.27031 0.27126 0.27318 0.27387 0.27405 0.27518 0.27619 0.27774 0.28027 0.28168 0.28304 0.28572 0.28756 0.28904 0.29102 0.29301 0.29312 0.29369 0.29597 0.29809 0.29877 0.30003 0.30097 0.30491 0.30748 0.30895 0.31432 0.31599 0.31658 0.31694 0.31857 0.31913 0.32065 0.32252 0.32384 0.32405 0.32578 0.32644 0.32761 0.32800 0.32806 0.32855 0.32944 0.33028 0.33075 0.33106 0.33270 0.33346 0.33364 0.33444 0.33447 0.33449 0.33487 0.33505 0.33514 0.33611 0.33636 0.33644 0.33696 0.33702 0.33718 0.33788 0.33801 0.33816 0.33824 0.33864 0.33881 0.33936 0.33945 0.33950 0.33960 0.33961 0.33991 0.34002 0.34039 0.34056 0.34057 0.34103 0.34140 0.34159 0.34188 0.34251 0.34264 0.34284 0.34321 0.34334 0.34404 0.34432 0.34465 0.34469 0.34551 0.34575 0.34603 0.34628 0.34654 0.34764 0.34809 0.34825 0.34845 0.34883 0.34936 0.34979 0.35072 0.35198 0.35347 0.35496 0.35831 0.35977 0.36384 0.36451 0.36590 0.36790 0.36822 0.37113 0.37938 0.38205 0.39570 0.40230 0.40300 0.41992 0.42829 0.43351 0.47430 0.48133 0.49596 0.51753 0.52262 0.56871 0.74922 Angle between quadratic step and forces= 82.95 degrees. 1 2 0.00002101 0.00000000 0.00000000 0.00000000 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 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 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 2.75978 2.71999 2.70771 2.75969 2.69339 2.72892 2.70498 2.70274 2.71260 2.64515 2.72045 2.67144 2.72970 2.70597 2.70669 1.83675 2.69835 2.69000 2.70968 2.68635 2.70412 2.72735 2.72037 1.82819 2.69553 1.82964 2.70227 2.68460 2.69222 2.69339 2.38799 2.37772 2.92028 2.92171 2.88310 2.89114 2.08451 2.92280 2.92869 2.88955 2.88776 2.89431 2.89875 2.06372 2.06582 2.96148 2.07913 2.06820 2.06173 2.90041 2.06827 2.06425 2.07031 2.06076 2.90127 2.06832 2.06767 2.91983 2.92213 2.07347 2.90997 2.06501 2.92844 2.90080 2.07502 2.07274 2.89318 2.89121 2.08242 2.06364 2.06507 2.95148 2.90900 2.07196 2.06610 2.06488 2.06488 2.06366 2.06781 2.06255 2.90346 2.08526 2.92430 2.06525 2.91986 2.89750 2.06579 2.90862 2.06746 2.07069 2.06762 2.06390 2.92181 2.07370 2.07086 2.06865 2.06319 2.06819 2.91734 2.89789 2.07540 2.91267 2.06867 2.88958 2.91605 2.89694 2.06627 2.90053 2.87954 2.07831 2.07256 2.06668 2.06961 2.90965 2.06955 2.06746 2.07172 2.06883 2.06664 2.94628 2.07174 2.06985 2.06612 2.06541 2.06625 2.06761 2.06520 2.06555 2.90485 2.07861 2.92834 2.89013 2.06956 2.07447 2.06920 2.06510 2.07112 2.06551 2.07382 2.07291 2.06823 2.06062 2.06682 2.07472 2.07739 2.06348 2.07106 2.06645 2.06680 1.95707 1.93744 1.99796 1.89609 1.99914 2.08759 2.04580 1.86462 2.04387 2.04135 2.01710 1.88540 1.86989 1.99002 2.10399 1.84087 1.82244 1.90795 1.93490 1.97695 1.96937 1.89966 1.83765 1.90651 2.05371 1.87007 1.89316 1.84092 1.82800 1.87371 1.95143 1.96964 1.98624 1.92643 1.82092 1.87915 1.87518 1.93001 2.02866 1.81297 1.94215 1.91969 1.97791 1.92301 1.88758 1.89626 1.85145 1.89119 2.08614 1.86099 1.87110 1.79449 1.90501 1.94651 1.94252 1.98428 1.88934 1.77241 1.93932 1.96016 1.93317 1.97549 1.88305 1.81825 1.90312 1.96312 1.92201 1.98311 1.87351 1.94404 1.88861 1.91053 1.91838 1.92070 1.88020 1.94024 1.91265 1.87543 2.03334 1.84122 1.85116 1.97110 1.95368 1.88387 1.81424 1.89094 1.94981 1.89006 2.02554 1.85753 1.94265 1.85227 1.88627 1.94178 1.94627 1.84480 1.92737 1.90694 1.89401 1.82052 1.91441 1.91184 2.02708 1.91296 1.87527 1.80648 1.89323 1.97665 1.91171 1.96808 1.90441 2.01197 1.93662 1.82369 2.00101 1.81282 1.85647 1.94922 1.91940 1.91594 1.89002 1.88670 1.90160 1.92756 1.90899 1.92957 1.89943 1.89685 1.90098 1.87086 1.94782 1.89486 1.99017 1.85772 1.89839 1.82533 1.89124 1.89958 2.03942 1.91619 1.88776 1.90467 1.97624 1.85077 1.94118 1.89027 1.89675 1.97736 1.97173 1.81967 1.92472 1.87679 1.88595 1.92163 1.95906 1.93797 1.87839 1.88031 1.88364 1.98630 1.91609 1.89716 1.88821 1.91489 1.85685 1.91747 1.94827 1.94218 1.89669 1.86989 1.88700 1.92336 1.93607 1.89248 1.99019 1.83502 1.88120 1.96029 1.97277 1.80118 1.93823 1.90126 1.88233 1.85020 1.92514 1.84011 1.93539 1.91378 1.99175 1.89823 1.94881 1.92443 1.97725 1.82059 1.89025 1.91908 1.92094 1.82845 1.86063 1.92121 2.01348 1.87097 1.89258 1.92880 1.93689 1.90778 1.92616 1.94482 1.95394 1.91962 1.88983 1.87507 1.87755 1.92357 1.89359 1.91366 1.92502 1.92831 1.87884 1.93941 1.91935 1.96355 1.86986 1.89097 1.87725 2.03572 1.86865 1.88246 1.89443 1.90019 1.87653 1.94643 1.89951 1.93309 1.89349 1.89201 1.89836 1.94238 1.92134 1.93037 1.88759 1.89473 1.88593 1.92746 1.92677 1.90863 1.88841 1.91779 1.89442 1.88613 1.96520 1.80969 2.04852 1.85650 1.87959 2.05127 1.95377 1.81331 1.97247 1.81851 1.82546 1.96273 1.85056 1.94877 1.88866 1.91441 1.89565 2.21864 2.03656 2.02756 1.85462 1.96684 1.95497 1.89051 1.89333 1.90081 1.90511 1.96605 1.91376 1.90697 1.88245 1.88766 1.96125 1.94199 1.86693 1.89376 1.89628 1.90236 1.95879 1.83768 1.97424 1.89376 1.89288 1.90399 2.02631 -0.01427 -2.12578 1.64865 -0.36097 -2.52638 -2.63170 -0.41497 1.61502 2.09486 0.03315 -2.08384 1.06922 3.04440 -1.00827 1.05040 -2.96007 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0.000060 0.000040 YES YES NO YES -1.442562e-11 6-31G(d,p) (6D, 7F) 143 143 143 1.00e+00 60 T 0.0516246 0.0136346 0.0115721 1 -3117.56651962 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=1111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) 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 432 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 432 vectors produced by pass 0 Test12= 2.75D-13 1.00D-09 XBig12= 3.41D+02 2.43D+00. AX will form 48 AO Fock derivatives at one time. 432 vectors produced by pass 1 Test12= 2.75D-13 1.00D-09 XBig12= 4.85D+01 1.50D+00. 429 vectors produced by pass 2 Test12= 2.75D-13 1.00D-09 XBig12= 3.40D-01 5.13D-02. 429 vectors produced by pass 3 Test12= 2.75D-13 1.00D-09 XBig12= 9.83D-04 3.16D-03. 429 vectors produced by pass 4 Test12= 2.75D-13 1.00D-09 XBig12= 1.50D-06 1.41D-04. 210 vectors produced by pass 5 Test12= 2.75D-13 1.00D-09 XBig12= 1.48D-09 5.14D-06. 10 vectors produced by pass 6 Test12= 2.75D-13 1.00D-09 XBig12= 1.41D-12 1.19D-07. 3 vectors produced by pass 7 Test12= 2.75D-13 1.00D-09 XBig12= 1.50D-15 3.38D-09. InvSVY: IOpt=1 It= 1 EMax= 3.55D-14 Solved reduced A of dimension 2374 with 432 vectors. Isotropic polarizability for W= 0.000000 702.72 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 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0.94620 0.95033 0.95301 0.95564 0.95699 0.95769 0.96219 0.96953 0.97014 0.97184 0.97373 0.97547 0.97816 0.98229 0.98369 0.98768 0.98917 0.99667 0.99943 1.00137 1.00303 1.00488 1.00664 1.00860 1.01481 1.01890 1.02133 1.02469 1.03014 1.03115 1.03362 1.04193 1.04582 1.04971 1.05396 1.05633 1.05699 1.05925 1.06197 1.06733 1.07017 1.07104 1.07657 1.07942 1.08948 1.09294 1.09652 1.09936 1.10402 1.11505 1.11800 1.12407 1.13009 1.13596 1.14259 1.14395 1.14851 1.15177 1.15724 1.16685 1.16805 1.17163 1.17540 1.18220 1.18549 1.18615 1.18789 1.19809 1.20379 1.20800 1.20996 1.21464 1.21647 1.22128 1.22526 1.22766 1.23762 1.24056 1.24634 1.24913 1.25773 1.26052 1.26102 1.26992 1.27497 1.28016 1.28858 1.29636 1.29884 1.30156 1.30985 1.31068 1.31821 1.32202 1.32404 1.32655 1.33006 1.33117 1.33773 1.34952 1.35245 1.35611 1.36204 1.36613 1.37126 1.37610 1.38240 1.38674 1.39429 1.39488 1.40297 1.40700 1.40793 1.41030 1.41715 1.42763 1.43318 1.43473 1.44163 1.44256 1.44486 1.44876 1.45373 1.45500 1.46470 1.47340 1.47766 1.48292 1.48556 1.48828 1.49841 1.49963 1.50502 1.51026 1.51204 1.51589 1.52139 1.52452 1.53374 1.53686 1.54708 1.54926 1.55065 1.55333 1.56156 1.56246 1.56489 1.57088 1.57123 1.57374 1.58232 1.58729 1.59031 1.59603 1.59918 1.60417 1.61774 1.62058 1.62578 1.63137 1.63301 1.63748 1.64242 1.64593 1.65124 1.65801 1.65873 1.66188 1.66498 1.67305 1.67385 1.68412 1.68709 1.68859 1.69534 1.69548 1.69670 1.70589 1.70988 1.71191 1.71499 1.71770 1.72084 1.72325 1.72985 1.73347 1.74421 1.74588 1.74887 1.75136 1.75346 1.75626 1.76048 1.76139 1.76640 1.76860 1.77662 1.78357 1.78407 1.78916 1.79387 1.79717 1.79833 1.79912 1.80350 1.80686 1.80764 1.81284 1.81378 1.82118 1.82253 1.82391 1.83185 1.83535 1.83642 1.83821 1.84155 1.84162 1.84395 1.84496 1.84808 1.85091 1.85943 1.86212 1.86414 1.86814 1.86955 1.87082 1.87141 1.87333 1.87613 1.87909 1.88680 1.88991 1.89093 1.89172 1.89667 1.89781 1.90077 1.90217 1.90678 1.90766 1.90949 1.91218 1.91443 1.91703 1.92096 1.92236 1.92286 1.92658 1.92835 1.93449 1.93882 1.94444 1.94663 1.94734 1.95106 1.95318 1.95550 1.95934 1.96286 1.96588 1.97078 1.97296 1.97351 1.97654 1.98326 1.98419 1.98639 1.98929 1.99012 1.99150 1.99523 1.99770 1.99850 2.00105 2.00188 2.00816 2.00957 2.01366 2.01416 2.01580 2.02208 2.02458 2.02640 2.02883 2.02963 2.03143 2.03236 2.03506 2.03824 2.04199 2.04378 2.04473 2.04709 2.04849 2.05044 2.05114 2.05343 2.05538 2.05610 2.05826 2.06003 2.06067 2.06453 2.06638 2.06902 2.06931 2.07195 2.07250 2.08179 2.08261 2.08339 2.08690 2.08741 2.08830 2.09103 2.09219 2.09679 2.09853 2.09967 2.10034 2.10309 2.10397 2.10924 2.11020 2.11175 2.11293 2.11557 2.11768 2.11899 2.11995 2.12412 2.12589 2.12691 2.13033 2.13160 2.13494 2.13895 2.14007 2.14221 2.14321 2.14676 2.14930 2.15006 2.15300 2.15575 2.15669 2.15943 2.16667 2.17138 2.17272 2.17579 2.17900 2.17999 2.18302 2.18497 2.18565 2.18918 2.19011 2.19512 2.19860 2.19919 2.20138 2.20418 2.20921 2.21166 2.21489 2.21871 2.22253 2.22535 2.23187 2.23577 2.24310 2.24386 2.25174 2.25766 2.25940 2.26359 2.26545 2.27012 2.27313 2.27429 2.27745 2.28328 2.28694 2.28947 2.29270 2.29446 2.29844 2.29961 2.30425 2.31052 2.31332 2.31676 2.32115 2.32507 2.32747 2.32905 2.33027 2.33627 2.34406 2.34729 2.34924 2.35038 2.36128 2.36147 2.36421 2.36737 2.37506 2.37747 2.37992 2.38241 2.38300 2.39020 2.39424 2.39761 2.40069 2.40564 2.40929 2.41528 2.41905 2.43428 2.43628 2.43885 2.44087 2.44528 2.44873 2.45767 2.46018 2.46420 2.46513 2.46638 2.46985 2.47199 2.47961 2.48199 2.48379 2.49035 2.49410 2.49579 2.50634 2.50949 2.51411 2.51985 2.52416 2.52571 2.52609 2.53308 2.53537 2.53745 2.54407 2.54508 2.55151 2.55512 2.55614 2.56043 2.56256 2.56987 2.57391 2.57733 2.58538 2.58792 2.59071 2.59693 2.59813 2.60059 2.60473 2.60688 2.61030 2.61829 2.62086 2.62490 2.62704 2.63172 2.63247 2.63893 2.64294 2.64719 2.65154 2.65389 2.65862 2.66046 2.66454 2.66699 2.66785 2.67493 2.67525 2.67857 2.68181 2.68251 2.68288 2.68703 2.68939 2.69106 2.69410 2.69428 2.70304 2.70643 2.70907 2.71246 2.71526 2.71668 2.72646 2.72884 2.72905 2.73327 2.73503 2.73747 2.73885 2.74076 2.74128 2.74548 2.75197 2.75247 2.75577 2.75729 2.75969 2.76198 2.76302 2.76521 2.76893 2.77103 2.77523 2.77852 2.78585 2.78714 2.78972 2.79283 2.79789 2.80171 2.80488 2.80834 2.81079 2.81371 2.81621 2.81760 2.82117 2.82665 2.82993 2.83335 2.83445 2.83682 2.83803 2.84283 2.84591 2.84702 2.85313 2.85425 2.85501 2.85892 2.86373 2.86413 2.87023 2.87138 2.87669 2.87851 2.88355 2.88655 2.88867 2.89006 2.89197 2.89603 2.89874 2.90128 2.90377 2.90568 2.90810 2.90891 2.91258 2.91591 2.91894 2.92006 2.92333 2.92458 2.92606 2.92820 2.93202 2.93916 2.94023 2.94192 2.94236 2.94447 2.95400 2.96106 2.96486 2.97036 2.97461 2.97998 2.98163 2.98426 2.98991 2.99180 2.99381 2.99585 3.00075 3.00330 3.00997 3.02164 3.03189 3.04162 3.05257 3.05929 3.06482 3.06731 3.07244 3.07850 3.08424 3.09474 3.09914 3.12593 3.12753 3.13947 3.14391 3.16069 3.16437 3.17092 3.17625 3.18433 3.18891 3.19273 3.19660 3.20266 3.20667 3.21010 3.21517 3.21813 3.22456 3.22926 3.23019 3.23360 3.23629 3.24052 3.24216 3.24354 3.25487 3.26241 3.26387 3.28347 3.30239 3.30683 3.31377 3.32102 3.33717 3.34241 3.34438 3.34844 3.36428 3.36469 3.37487 3.37657 3.38640 3.38797 3.39029 3.39984 3.40655 3.41001 3.41743 3.41969 3.43309 3.43516 3.43697 3.43979 3.44304 3.44580 3.44906 3.45086 3.45460 3.45793 3.46071 3.46356 3.46454 3.47006 3.47215 3.47345 3.47750 3.47816 3.48104 3.48117 3.48159 3.48628 3.48913 3.49253 3.49571 3.49777 3.50017 3.50128 3.50588 3.51302 3.51520 3.51775 3.52007 3.52195 3.52559 3.53028 3.53226 3.53255 3.53615 3.54088 3.54880 3.56522 3.56966 3.59989 3.60783 3.94667 3.94896 4.00013 4.01903 4.02888 4.05398 4.08909 4.10607 4.11649 4.12981 4.16137 4.21539 4.22430 4.23864 4.29711 4.31741 4.32224 4.33812 4.35338 4.38498 4.40101 4.40525 4.41027 4.42064 4.43494 4.44505 4.44763 4.45913 4.46384 4.47958 4.49537 4.50968 4.51286 4.51421 4.52447 4.54605 4.55033 4.56779 4.57688 4.59245 4.60294 4.63156 4.65206 4.66496 4.67346 4.67888 4.69888 4.71251 4.73674 4.74448 4.75611 4.77938 4.82129 4.82489 4.82853 4.83664 4.85276 4.85549 4.86975 4.89321 4.92345 4.93556 5.03672 5.11120 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 O O O O O O O O O O O O O O O O O C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H -0.589154 -0.571290 -0.547576 -0.547774 -0.533196 -0.560005 -0.567335 -0.610824 -0.521086 -0.524495 -0.534193 -0.579007 -0.576605 -0.501858 -0.535715 -0.653061 -0.666347 0.286214 0.211012 0.288382 0.523256 -0.231896 0.194961 -0.220188 -0.216313 -0.238402 -0.204075 0.174026 0.137628 -0.068221 0.150312 0.163097 -0.215435 -0.097684 -0.336805 -0.337319 0.186296 0.187685 -0.065282 0.161707 -0.341884 -0.184217 -0.342162 -0.078436 0.151587 0.514370 -0.070511 0.488610 0.440674 -0.341666 -0.224785 -0.341946 -0.261661 -0.340293 -0.330129 0.121233 0.147955 0.181876 -0.078880 0.499161 -0.081011 -0.336618 -0.077748 -0.061939 0.077018 0.119531 0.116463 0.088683 0.117159 0.121123 0.108944 0.110927 0.104049 0.124768 0.117460 0.110498 0.083340 0.114347 0.091966 0.087790 0.092444 0.125954 0.113241 0.114081 0.108703 0.122578 0.114792 0.108737 0.098032 0.117938 0.086678 0.100037 0.112385 0.095491 0.101373 0.112562 0.114194 0.096727 0.098950 0.097998 0.129237 0.104364 0.100675 0.097768 0.111615 0.331985 0.092720 0.105811 0.112865 0.106264 0.119057 0.117361 0.104805 0.112335 0.111748 0.070161 0.097111 0.111251 0.116278 0.114179 0.103086 0.102987 0.102031 0.103425 0.106632 0.108883 0.321527 0.321608 0.113241 0.110351 0.103546 0.113311 0.104948 0.107799 0.109327 0.128262 0.115982 0.109034 0.107917 0.124594 0.104354 0.108971 0.108622 -1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 O O O O O O O O O O O O O O O O O C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C -0.589154 -0.571290 -0.547576 -0.547774 -0.533196 -0.560005 -0.567335 -0.278840 -0.521086 -0.524495 -0.534193 -0.257480 -0.254997 -0.501858 -0.535715 -0.653061 -0.666347 0.286214 0.288030 0.288382 0.523256 0.004098 0.283644 0.018094 0.003559 -0.009586 0.023883 0.257366 0.251975 0.023745 0.238102 0.255540 0.023760 0.016397 0.009268 -0.012612 0.272974 0.287722 0.047103 0.257198 -0.013755 0.011460 -0.010564 0.022239 0.249355 0.514370 0.041104 0.488610 0.533393 -0.016727 0.011633 -0.013058 -0.094389 0.001414 -0.022025 0.224657 0.254587 0.290759 0.248258 0.499161 0.245045 0.016953 0.263798 0.260008 -1.00001 723.268 3.748 726.300 -4.590 -12.161 658.602 761.600 -7.253 743.628 7.153 -0.153 727.448 -1.1699 -0.0038 -0.0015 0.0019 1.6873 4.0654 7.6910 8.6636 11.8367 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 6.5951 8.4912 11.5518 13.0859 17.0724 18.9965 21.6475 28.7506 31.5838 37.9816 47.1413 49.8942 52.2996 53.7168 57.2989 62.4218 66.5247 68.4323 77.0069 81.7483 84.2570 90.1858 93.0805 94.8043 98.5043 102.6546 122.6859 125.2066 127.1638 129.7010 135.5090 139.6646 142.4007 144.1526 155.3099 158.9744 170.1241 170.8139 173.0398 175.7267 182.1453 184.6871 190.4526 195.6198 196.8919 209.7119 212.5594 217.4769 223.8741 225.1465 227.8971 237.4691 240.1194 247.5093 248.2517 249.6243 255.1033 257.6766 260.6739 261.1980 262.2932 266.2582 270.7081 273.8204 279.7802 282.7921 286.1809 290.5238 293.6085 303.0493 307.6559 310.8852 312.7724 314.3054 320.3896 326.0216 327.8381 336.7634 343.4412 353.9402 355.1447 356.5122 364.2300 373.7488 381.7041 383.2786 389.2944 397.6819 401.3724 403.2997 415.9980 425.6836 438.1144 442.0902 453.7120 456.0457 461.6025 464.7500 465.8430 471.8106 476.4101 481.3699 490.5012 498.1336 501.8490 506.9088 512.5608 517.0539 531.6373 537.2765 552.8902 569.0670 569.5312 580.7043 590.7714 596.8120 602.8988 609.4050 615.9848 621.8753 633.1901 643.6296 665.3710 666.7221 677.5204 685.9542 692.5684 695.8820 747.7367 759.7661 762.9916 766.3404 769.1246 771.6615 784.2232 796.0847 799.7241 800.8500 815.6029 828.3316 847.4355 860.6924 866.5286 867.7058 877.3417 888.5761 890.7538 892.5562 897.2270 900.2857 900.6538 907.1804 911.1328 913.4302 916.2279 917.2608 922.8349 928.4335 930.3735 931.5791 948.3495 951.1222 954.4124 959.6605 961.7015 970.6081 976.3017 985.4707 986.8080 990.2991 992.0337 999.9793 1005.3387 1007.1136 1012.1745 1015.1370 1018.1163 1021.1148 1025.9874 1032.1294 1034.2829 1040.9424 1044.1462 1046.8923 1050.8430 1055.0380 1056.7617 1066.8137 1070.1390 1072.9186 1075.4701 1080.5389 1082.6001 1090.7993 1093.9775 1098.6611 1099.2388 1100.8280 1103.0475 1105.2071 1111.3574 1116.4392 1119.1589 1120.7909 1121.8759 1125.7004 1127.2098 1137.7235 1140.2822 1144.0176 1147.8891 1154.9202 1157.0686 1157.2446 1160.9207 1166.2329 1168.5915 1169.8021 1170.9598 1171.6792 1177.4522 1178.5399 1179.0644 1181.4095 1183.0250 1184.2392 1192.8200 1201.2720 1208.4607 1214.1775 1216.0666 1216.4884 1220.9038 1223.8752 1225.5004 1227.7732 1233.7950 1237.4656 1243.1630 1246.9006 1251.0908 1262.2307 1263.0402 1280.8539 1285.1909 1288.0378 1290.5543 1293.4937 1297.5315 1302.7856 1309.2057 1320.3967 1324.8464 1325.8387 1326.2636 1330.9853 1332.4930 1335.7048 1337.3178 1342.0699 1346.2654 1349.4883 1351.5017 1354.2036 1354.6831 1355.8151 1358.2589 1360.7259 1361.6702 1367.0003 1369.9326 1372.6566 1378.7519 1379.3078 1387.5193 1388.4607 1390.7150 1391.3523 1393.5357 1395.2773 1395.7965 1397.7786 1402.2884 1403.7880 1404.7056 1405.5117 1406.5690 1407.4253 1412.6386 1415.8613 1416.4178 1419.0571 1419.4811 1419.6760 1420.6061 1421.6963 1422.5581 1423.5900 1425.8167 1426.3723 1428.7861 1432.4836 1445.9593 1463.4774 1470.5384 1478.5976 1479.7629 1481.8311 1486.0893 1486.2337 1487.3114 1490.1009 1491.1312 1491.5339 1492.5259 1494.6498 1495.1920 1495.8702 1496.7501 1497.3901 1497.6069 1499.2463 1499.4370 1500.0445 1502.4140 1504.8934 1505.8748 1506.2447 1507.5965 1508.1186 1508.4948 1508.9843 1509.1791 1512.4938 1512.6893 1514.8756 1515.0288 1515.3281 1515.7085 1516.8542 1518.5026 1518.6185 1523.1108 1692.8538 2966.5937 2968.0959 2988.7228 2997.4272 3002.8152 3011.3142 3012.3073 3016.1486 3026.8007 3029.3474 3030.3368 3030.4697 3033.5853 3036.7589 3037.2767 3038.6208 3040.5703 3042.5262 3043.4862 3046.5935 3048.0121 3052.4185 3055.6019 3057.7543 3058.1690 3059.2038 3059.9114 3060.5397 3063.2534 3065.6519 3069.0798 3069.6087 3072.6621 3072.7396 3074.2779 3074.6808 3077.0480 3082.4658 3082.5045 3085.5799 3092.2902 3092.4406 3094.2672 3094.4844 3099.9175 3100.2847 3101.6938 3105.2693 3106.0874 3109.6047 3110.3101 3115.4668 3115.8540 3120.9254 3120.9617 3121.0476 3122.9880 3125.2481 3125.6129 3127.0295 3130.6929 3132.9061 3133.6381 3135.5414 3135.5557 3135.9375 3137.2993 3138.9980 3140.2231 3144.3168 3144.4412 3145.1305 3146.2587 3147.2535 3161.1374 3162.1283 3704.4250 3789.9825 3808.9603 5.3629 5.2459 4.7064 4.9693 4.8297 5.7657 3.9704 4.1781 4.7881 5.1021 4.9645 4.4359 5.6607 6.8232 4.6382 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