Gaussian 16 GINC-WATSON SGERVASONI NEW-compound opt 6-31G** ES64L-G16RevA.03 24-Nov-2025 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 128 128 (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 758.4471000000007 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;16;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;17;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/rA:128nO0O0O0O0O0O0O0O0O0O0O0O0O0O0O0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.499,-2.425,-.884;-.307,-1.382,1.625;2.035,-.92,1.93;-2.228,-1.968,-3.062;1.234,-1.819,-.91;-4.287,-2.287,-.11;-5.403,-.402,-1.832;4.116,1.468,2.167;4.571,-1.407,1.104;-.951,4.303,-1.273;1.01,-.665,4.591;4.944,2.394,-1.397;-7.345,-.937,-2.928;6.825,1.299,-2.013;4.762,-3.224,-.265;.688,-5.106,.845;.95,-4.841,1.851;.303,-3.843,.067;-1.158,-3.288,.238;1.307,-2.667,.255;-1.342,-2.397,1.498;1.038,-1.915,1.578;2.042,.348,1.215;-4.562,-2.686,-1.469;-2.095,-3.023,-2.075;1.137,1.447,1.888;-3.477,-3.689,-1.904;-4.567,-1.448,-2.414;-3.129,-.907,-2.615;3.52,.808,1.003;-.292,1.563,1.26;-1.577,-3.143,2.817;-.758,2.958,.764;1.095,1.43,3.441;4.467,-.204,.278;-5.933,-3.381,-1.45;1.903,-5.785,.26;-.409,-6.132,.941;-3.067,.215,-3.65;-.057,3.447,-.533;5.857,.419,-.036;-.819,4.011,1.882;.391,.264,4.082;-6.539,-.062,-2.624;1.289,4.122,-.35;4.571,.587,3.23;5.954,1.423,-1.16;-6.75,1.366,-3.055;5.314,-2.475,.532;-6.881,2.4,-1.914;1.439,5.453,-.193;5.123,3.66,-.684;6.615,-2.851,1.165;-8.008,2.052,-.931;-5.562,2.666,-1.174;4.364,4.744,-1.476;2.726,6.203,-.13;3.954,5.911,-.611;6.586,4.097,-.444;.371,-4.121,-1.012;-1.904,-4.104,.304;2.35,-3.025,.308;-2.288,-1.825,1.347;1.146,-2.642,2.412;1.677,.208,.177;-1.398,-3.78,-2.503;1.637,2.414,1.665;-3.431,-4.545,-1.197;-3.761,-4.112,-2.897;-4.928,-1.782,-3.42;-2.77,-.467,-1.653;3.392,1.624,.267;-1.055,1.206,1.989;-.402,.874,.391;-1.729,-2.403,3.635;-2.493,-3.772,2.741;-.722,-3.793,3.093;-1.824,2.795,.469;.57,2.347,3.79;2.123,1.498,3.854;3.987,-.484,-.691;-6.239,-3.689,-2.477;-6.708,-2.697,-1.038;-5.902,-4.287,-.803;.367,-1.261,-.791;2.173,-6.702,.836;1.725,-6.088,-.8;2.808,-5.14,.286;-.84,-6.352,-.065;-.045,-7.093,1.377;-1.226,-5.79,1.616;-3.486,-.124,-4.624;-2.008,.522,-3.805;-3.634,1.103,-3.294;-4.921,-1.484,.054;.124,2.563,-1.188;6.292,.892,.87;6.55,-.399,-.327;.199,4.269,2.251;-1.421,3.629,2.738;-1.304,4.942,1.509;-.68,.359,4.233;2.161,3.494,-.453;4.713,1.195,4.151;3.837,-.215,3.463;5.552,.13,2.974;-5.914,1.655,-3.73;-7.681,1.41,-3.667;-1.186,5.074,-.626;-7.166,3.365,-2.399;.548,6.066,-.077;4.646,3.559,.319;6.731,-3.958,1.185;7.458,-2.409,.59;6.649,-2.469,2.211;-8.966,1.903,-1.479;-8.151,2.88,-.2;-7.769,1.12,-.368;-5.683,3.531,-.482;-5.249,1.784,-.572;-4.753,2.916,-1.897;3.482,4.321,-2.005;5.024,5.132,-2.286;2.632,7.163,.376;4.722,6.669,-.464;7.143,4.13,-1.408;7.098,3.387,.244;6.624,5.104,.029; g16 /usr/local/g16/l1.exe "/home/sgervasoni/josamycin_+1/geom/Gau-1180354.inp" -scrdir="/home/sgervasoni/josamycin_+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 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 12 12 13 14 15 16 16 16 16 18 18 18 19 19 20 20 21 21 22 23 23 23 24 24 24 25 25 26 26 26 27 27 28 28 29 29 30 30 31 31 31 32 32 32 33 33 33 34 34 34 35 35 36 36 36 37 37 37 38 38 38 39 39 39 40 40 41 41 41 42 42 42 43 44 45 45 46 46 46 48 48 48 49 50 50 50 51 51 52 52 52 53 53 53 54 54 54 55 55 55 56 56 56 57 57 58 59 59 59 19 25 21 22 22 23 25 29 20 85 24 95 28 44 30 46 35 49 40 109 43 47 52 44 47 49 17 18 37 38 19 20 60 21 61 22 62 32 63 64 26 30 65 27 28 36 27 66 31 34 67 68 69 29 70 39 71 35 72 33 73 74 75 76 77 40 42 78 43 79 80 41 81 82 83 84 86 87 88 89 90 91 92 93 94 45 96 47 97 98 99 100 101 102 48 51 103 104 105 106 50 107 108 53 54 55 110 57 111 56 59 112 113 114 115 116 117 118 119 120 121 58 122 123 58 124 125 126 127 128 1.456 1.4599 1.4552 1.4475 1.4519 1.4557 1.4508 1.462 1.4428 1.0379 1.4428 1.0362 1.46 1.426 1.4648 1.4537 1.463 1.4212 1.4421 1.0336 1.2269 1.421 1.464 1.2279 1.2254 1.2251 1.0728 1.5325 1.5098 1.5051 1.5722 1.5577 1.1163 1.5541 1.1076 1.5454 1.104 1.5335 1.1158 1.1116 1.5747 1.5624 1.1092 1.5403 1.5575 1.5372 1.5436 1.1145 1.5652 1.5537 1.1112 1.1112 1.1161 1.5495 1.1198 1.5277 1.1171 1.5642 1.1063 1.5522 1.114 1.1144 1.1135 1.1138 1.1089 1.5533 1.537 1.118 1.5053 1.1128 1.1099 1.5553 1.117 1.115 1.1128 1.1137 1.116 1.1167 1.1116 1.1163 1.1163 1.1136 1.1132 1.1134 1.1121 1.5168 1.115 1.5102 1.1108 1.1109 1.1131 1.114 1.1141 1.0858 1.5065 1.3486 1.0795 1.1127 1.1119 1.1121 1.5454 1.1127 1.115 1.4949 1.5354 1.5356 1.117 1.4909 1.0877 1.5422 1.5456 1.1152 1.1132 1.112 1.1141 1.1137 1.1137 1.1148 1.1143 1.1128 1.1134 1.5094 1.1121 1.1146 1.3508 1.0893 1.089 1.1138 1.1134 1.1132 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 19 21 22 25 20 24 28 30 35 40 47 17 17 17 18 18 37 16 16 16 19 19 20 1 1 1 18 18 21 5 5 5 18 18 22 2 2 2 19 19 32 2 2 2 3 3 20 3 3 3 26 26 30 6 6 6 27 27 28 1 1 1 4 4 27 23 23 23 31 31 34 24 24 24 25 25 68 7 7 7 24 24 29 4 4 4 28 28 39 8 8 8 23 23 35 26 26 26 33 33 73 21 21 21 75 75 76 31 31 31 40 40 42 26 26 26 43 43 79 9 9 9 30 30 41 24 24 24 82 82 83 16 16 16 86 86 87 16 16 16 89 89 90 29 29 29 92 92 93 10 10 10 33 33 45 35 35 35 47 47 97 33 33 33 99 99 100 11 11 34 7 7 13 40 40 51 8 8 8 104 104 105 12 12 14 44 44 44 50 50 107 9 9 15 48 48 48 54 54 55 45 45 57 12 12 12 56 56 59 49 49 49 113 113 114 50 50 50 116 116 117 50 50 50 119 119 120 52 52 52 58 58 122 51 51 58 56 56 57 52 52 52 126 126 127 1 2 3 4 5 6 7 8 9 10 12 16 16 16 16 16 16 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 44 44 44 45 45 45 46 46 46 46 46 46 47 47 47 48 48 48 48 48 48 49 49 49 50 50 50 50 50 50 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 58 58 58 59 59 59 59 59 59 25 22 23 29 85 95 44 46 49 109 52 18 37 38 37 38 38 19 20 60 20 60 60 18 21 61 21 61 61 18 22 62 22 62 62 19 32 63 32 63 63 3 20 64 20 64 64 26 30 65 30 65 65 27 28 36 28 36 36 4 27 66 27 66 66 31 34 67 34 67 67 25 68 69 68 69 69 24 29 70 29 70 70 28 39 71 39 71 71 23 35 72 35 72 72 33 73 74 73 74 74 75 76 77 76 77 77 40 42 78 42 78 78 43 79 80 79 80 80 30 41 81 41 81 81 82 83 84 83 84 84 86 87 88 87 88 88 89 90 91 90 91 91 92 93 94 93 94 94 33 45 96 45 96 96 47 97 98 97 98 98 99 100 101 100 101 101 34 102 102 13 48 48 51 103 103 104 105 106 105 106 106 14 41 41 50 107 108 107 108 108 15 53 53 54 55 110 55 110 110 57 111 111 56 59 112 59 112 112 113 114 115 114 115 115 116 117 118 117 118 118 119 120 121 120 121 121 58 122 123 122 123 123 58 124 124 57 125 125 126 127 128 127 128 128 118.7829 113.6537 118.7619 112.1003 105.4071 104.2865 113.9271 115.8085 115.3317 105.2198 115.0115 109.501 106.1348 106.6532 112.0921 114.2721 107.7392 117.9797 113.5155 105.6731 108.6222 104.4567 105.3914 110.0635 104.9052 108.9569 113.6148 111.8581 107.1172 108.2804 113.3568 106.0905 111.0087 111.7102 106.3286 112.7328 111.9163 104.908 115.8868 106.5333 103.6431 112.2002 111.6363 107.8617 114.9301 101.5126 107.8865 113.2803 109.1264 110.3726 113.3395 107.3928 102.796 108.1695 110.6282 106.462 110.3965 109.7144 111.347 107.1312 116.8633 109.6463 107.8806 106.858 108.0237 113.8874 115.7913 105.246 112.1594 105.4138 102.843 112.3956 110.5554 108.5919 111.4567 107.0246 106.5387 109.2348 109.4485 112.7809 110.6868 108.0018 106.6658 110.9912 107.5085 110.5543 112.4556 108.9083 106.3258 114.1881 114.4247 104.0869 116.4326 101.4189 103.8218 117.9643 109.8157 110.9256 106.9476 106.0715 104.1545 109.2388 110.0039 112.4005 108.2513 108.1773 108.6669 114.4736 113.2784 103.8597 114.1794 104.8256 104.7125 116.5356 108.4954 110.2566 106.5053 108.7931 105.6507 108.262 112.3243 108.3129 112.0562 107.704 108.0183 110.994 110.3545 110.4961 108.6441 108.5425 107.7181 111.3603 111.1946 112.6529 107.789 105.5284 108.0229 110.9937 111.9687 111.3488 107.9515 108.8752 105.4784 110.7225 109.5972 110.4181 108.6726 109.3509 108.0182 109.6073 110.3574 105.6524 116.0925 108.3113 106.2382 118.2922 110.8494 108.3889 107.3862 104.7438 106.4347 111.3226 110.2082 110.2588 108.6 108.3873 107.9729 121.8172 120.4125 116.9208 119.376 119.7687 120.8452 123.5002 116.5127 119.6968 108.3041 112.567 110.9052 107.7542 107.6085 109.5215 117.2752 122.1926 119.7657 115.7773 108.3325 108.1428 109.7435 107.9428 106.5067 119.0583 118.2667 120.9192 112.5359 113.5084 106.2059 111.1743 106.6491 106.1854 126.685 118.5236 114.7782 107.3106 115.8403 107.9031 110.2952 108.3623 106.9062 110.39 109.9271 109.7479 108.9981 108.718 109.029 110.2853 110.2398 110.8213 108.179 108.7283 108.518 109.9043 111.4075 110.4918 108.0502 107.9297 108.9584 112.509 111.5471 109.055 110.5646 107.9498 104.8544 131.374 112.8605 115.7466 128.1813 115.0838 116.2688 110.3241 110.5446 110.7352 108.8895 108.8971 107.3737 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 25 25 25 19 19 19 22 22 22 21 21 21 23 23 23 22 22 22 29 29 29 25 25 25 85 85 85 95 95 95 44 44 44 28 28 46 46 46 30 30 30 49 49 49 35 35 109 109 109 52 52 47 47 47 17 17 17 37 37 37 38 38 38 17 17 17 18 18 18 38 38 38 17 17 17 18 18 18 37 37 37 16 16 16 20 20 20 60 60 60 16 16 16 19 19 19 60 60 60 1 1 1 18 18 18 61 61 61 5 5 5 18 18 18 62 62 62 2 2 2 19 19 19 63 63 63 3 3 3 30 30 30 65 65 65 3 3 3 26 26 26 65 65 65 6 6 6 28 28 28 36 36 36 6 6 6 27 27 27 36 36 36 6 6 6 27 27 27 28 28 28 1 1 1 4 4 4 66 66 66 23 23 23 34 34 34 67 67 67 23 23 23 31 31 31 67 67 67 7 7 7 24 24 24 70 70 70 4 4 4 28 28 28 71 71 71 8 8 8 23 23 23 72 72 72 26 26 26 73 73 73 74 74 74 31 31 31 42 42 42 78 78 78 31 31 31 40 40 40 78 78 78 26 26 79 79 80 80 9 9 9 30 30 30 81 81 81 10 10 33 33 96 96 35 35 97 97 98 98 7 7 7 13 13 13 40 40 103 103 44 44 44 107 107 107 108 108 108 9 9 9 15 15 15 48 48 48 55 55 55 110 110 110 48 48 48 54 54 54 110 110 110 45 45 111 111 12 12 12 59 59 59 112 112 112 12 12 12 56 56 56 112 112 112 52 52 122 122 123 123 51 51 124 124 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 6 6 6 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 10 10 10 12 12 12 12 12 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 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 21 21 21 21 21 21 21 21 21 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 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 31 31 31 31 31 31 31 31 31 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 35 35 35 35 35 35 40 40 40 40 40 40 41 41 41 41 41 41 44 44 44 44 44 44 45 45 45 45 48 48 48 48 48 48 48 48 48 49 49 49 49 49 49 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 51 51 51 51 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 56 56 56 56 56 56 57 57 57 57 19 19 19 25 25 25 21 21 21 22 22 22 22 22 22 23 23 23 25 25 25 29 29 29 20 20 20 24 24 24 28 28 28 44 44 30 30 30 46 46 46 35 35 35 49 49 40 40 40 47 47 52 52 52 18 18 18 18 18 18 18 18 18 37 37 37 37 37 37 37 37 37 38 38 38 38 38 38 38 38 38 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 32 32 32 32 32 32 32 32 32 26 26 26 26 26 26 26 26 26 30 30 30 30 30 30 30 30 30 27 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 36 36 36 36 36 36 36 36 36 27 27 27 27 27 27 27 27 27 31 31 31 31 31 31 31 31 31 34 34 34 34 34 34 34 34 34 29 29 29 29 29 29 29 29 29 39 39 39 39 39 39 39 39 39 35 35 35 35 35 35 35 35 35 33 33 33 33 33 33 33 33 33 40 40 40 40 40 40 40 40 40 42 42 42 42 42 42 42 42 42 43 43 43 43 43 43 41 41 41 41 41 41 41 41 41 45 45 45 45 45 45 47 47 47 47 47 47 48 48 48 48 48 48 51 51 51 51 50 50 50 50 50 50 50 50 50 53 53 53 53 53 53 54 54 54 54 54 54 54 54 54 55 55 55 55 55 55 55 55 55 57 57 57 57 56 56 56 56 56 56 56 56 56 59 59 59 59 59 59 59 59 59 58 58 58 58 58 58 58 58 58 58 18 21 61 4 27 66 19 32 63 3 20 64 2 20 64 26 30 65 1 27 66 28 39 71 18 22 62 27 28 36 24 29 70 13 48 23 35 72 104 105 106 30 41 81 15 53 33 45 96 14 41 56 59 112 19 20 60 19 20 60 19 20 60 86 87 88 86 87 88 86 87 88 89 90 91 89 90 91 89 90 91 1 21 61 1 21 61 1 21 61 5 22 62 5 22 62 5 22 62 2 32 63 2 32 63 2 32 63 2 3 64 2 3 64 2 3 64 75 76 77 75 76 77 75 76 77 31 34 67 31 34 67 31 34 67 8 35 72 8 35 72 8 35 72 25 68 69 25 68 69 25 68 69 7 29 70 7 29 70 7 29 70 82 83 84 82 83 84 82 83 84 24 68 69 24 68 69 24 68 69 33 73 74 33 73 74 33 73 74 43 79 80 43 79 80 43 79 80 4 39 71 4 39 71 4 39 71 92 93 94 92 93 94 92 93 94 9 41 81 9 41 81 9 41 81 40 42 78 40 42 78 40 42 78 10 45 96 10 45 96 10 45 96 99 100 101 99 100 101 99 100 101 11 102 11 102 11 102 47 97 98 47 97 98 47 97 98 51 103 51 103 51 103 12 14 12 14 12 14 50 107 108 50 107 108 57 111 57 111 54 55 110 54 55 110 54 55 110 113 114 115 113 114 115 116 117 118 116 117 118 116 117 118 119 120 121 119 120 121 119 120 121 58 124 58 124 58 122 123 58 122 123 58 122 123 126 127 128 126 127 128 126 127 128 57 125 57 125 57 125 56 125 56 125 88.668 -148.7484 -34.3255 -175.4263 63.4904 -59.8152 -53.5043 79.2464 -169.0247 -170.3128 59.0216 -59.3359 -53.5577 75.4074 -168.4682 89.7922 -142.9281 -30.6658 -62.7119 63.8922 179.835 -63.0655 173.5654 57.9022 77.2502 -46.3862 -162.7005 168.8582 47.8289 -73.2898 -117.2734 121.3949 2.829 57.1294 -124.0171 78.7689 -58.9572 -171.5686 -163.4125 -44.381 78.7193 175.1033 -60.6351 58.5824 -82.4057 112.5398 58.2316 -70.8316 174.7302 -100.4337 89.6282 155.9356 32.2516 -87.4845 -81.7911 46.9284 161.9347 160.6983 -70.5822 44.424 37.7594 166.4788 -78.5149 60.4429 -179.3252 -57.8979 179.946 -59.8222 61.6052 -53.4962 66.7357 -171.837 171.8154 -67.4695 50.3471 50.6768 171.3919 -70.7915 -74.5919 46.1232 163.9398 -159.613 83.094 -38.3382 69.4078 -47.8852 -169.3174 -42.6849 -159.9779 78.5899 153.8931 -81.0689 37.4251 -72.7498 52.2883 170.7822 38.7195 163.7576 -77.7485 -71.7585 157.4618 42.7822 48.4947 -82.2849 163.0354 172.5375 41.7578 -72.9218 63.3033 -65.9409 -178.354 -58.8264 171.9293 59.5162 179.4773 50.233 -62.1801 50.8038 169.493 -69.2774 -178.0304 -59.3413 61.8883 -61.7167 56.9725 178.2021 -96.6449 35.5899 148.3942 138.3161 -89.4491 23.3552 25.49 157.7247 -89.4709 -81.3159 55.5286 167.4039 45.9302 -177.2252 -65.3499 161.5153 -61.6401 50.2352 -69.7244 55.52 172.0647 51.4487 176.693 -66.7622 174.527 -60.2286 56.3161 -48.9322 71.6452 -171.929 -168.6315 -48.0541 68.3717 69.2462 -170.1764 -53.7507 177.8937 57.3902 -61.6366 -65.28 174.2166 55.1898 57.236 -63.2675 177.7057 62.4322 -62.3178 -178.4362 -58.2559 176.9941 60.8757 -173.4328 61.8171 -54.3013 -125.8805 111.2923 -3.294 100.1581 -22.669 -137.2554 -11.0186 -133.8458 111.5679 -69.3407 170.5342 55.2779 63.6917 -56.4333 -171.6896 176.472 56.3469 -58.9093 173.9224 -65.5969 51.9894 53.4722 173.953 -68.4608 -63.7776 56.7031 174.2894 65.9847 -53.886 -172.7599 -56.4832 -176.3539 64.7723 -175.5896 64.5397 -54.3342 74.1156 -50.3061 -168.9702 -62.6286 172.9497 54.2856 -173.1154 62.4629 -56.2012 72.0359 -61.2574 -174.2688 -163.6993 63.0074 -50.004 -52.9776 173.7291 60.7177 150.2768 -83.8741 35.4691 -76.8533 48.9958 168.3391 37.152 163.001 -77.6557 68.3364 -52.2301 -171.3311 -65.0979 174.3357 55.2347 -179.17 60.2635 -58.8375 103.216 -87.302 -135.6002 33.8819 -22.1441 147.3379 163.8167 -71.5635 44.9013 -74.0511 50.5686 167.0334 44.427 169.0467 -74.4885 33.8666 -139.9106 -91.6023 94.6205 147.9333 -25.8439 38.8448 -130.8501 -87.4605 102.8446 159.6495 -10.0454 -59.3121 64.4134 179.4726 119.5242 -116.7502 -1.6911 -174.1322 7.2581 -0.5432 -179.153 -56.2676 71.1025 -172.6034 -179.2535 -51.8833 64.4107 65.0549 -167.5749 -51.2809 139.6859 -100.038 19.8714 -25.0791 95.1971 -144.8936 -53.7092 -173.1017 66.7411 177.692 58.2995 -61.8577 62.3611 -57.0314 -177.1886 170.8671 -69.4032 51.865 -61.0567 58.673 179.9412 54.561 174.2907 -64.4411 24.2767 -157.4064 -157.0686 21.2482 155.1955 30.2758 -85.0641 -77.7896 157.2907 41.9507 38.9181 -86.0016 158.6585 54.8295 -65.6677 175.4607 -67.2833 172.2195 53.3479 175.1067 54.6095 -64.2621 -104.3391 83.8623 21.117 -150.6816 135.2815 -36.5171 5.3974 177.1134 -172.8807 -1.1647 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 128 1.00e+00 60 T Berny optimization. local minimum Step number 132 out of a maximum of 739 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00033 0.00116 0.00162 0.00176 0.00198 0.00216 0.00231 0.00237 0.00267 0.00269 0.00274 0.00282 0.00299 0.00325 0.00339 0.00346 0.00385 0.00405 0.00444 0.00490 0.00500 0.00548 0.00587 0.00603 0.00669 0.00697 0.00758 0.00817 0.00849 0.00900 0.00941 0.01058 0.01091 0.01150 0.01180 0.01246 0.01264 0.01345 0.01454 0.01536 0.01567 0.01746 0.01799 0.02060 0.02143 0.02334 0.02422 0.02542 0.02745 0.03015 0.03056 0.03065 0.03092 0.03207 0.03267 0.03322 0.03471 0.03571 0.03610 0.03686 0.03735 0.03874 0.03936 0.04070 0.04088 0.04193 0.04213 0.04263 0.04318 0.04358 0.04421 0.04456 0.04552 0.04635 0.04685 0.04689 0.04715 0.04749 0.04794 0.04840 0.04844 0.04877 0.04919 0.05000 0.05035 0.05065 0.05097 0.05140 0.05175 0.05195 0.05224 0.05249 0.05277 0.05290 0.05367 0.05393 0.05409 0.05414 0.05435 0.05442 0.05444 0.05465 0.05478 0.05517 0.05542 0.05567 0.05587 0.05603 0.05647 0.05700 0.05712 0.05735 0.05754 0.05815 0.05833 0.05923 0.06024 0.06034 0.06098 0.06238 0.06485 0.06634 0.06814 0.06881 0.07028 0.07140 0.07251 0.07327 0.07450 0.07471 0.07575 0.07603 0.07784 0.07848 0.08079 0.08478 0.08569 0.08738 0.08887 0.09144 0.09207 0.09347 0.09390 0.09563 0.09579 0.09682 0.09816 0.10039 0.10174 0.10488 0.11056 0.11403 0.11668 0.12106 0.12177 0.12590 0.13027 0.13384 0.13568 0.13944 0.14379 0.14562 0.14846 0.15186 0.15306 0.15429 0.15582 0.15667 0.15761 0.15781 0.15817 0.15833 0.15857 0.15899 0.15920 0.15930 0.15949 0.15959 0.15969 0.15976 0.15983 0.15991 0.15994 0.15997 0.16003 0.16010 0.16011 0.16016 0.16024 0.16033 0.16038 0.16045 0.16057 0.16066 0.16075 0.16085 0.16100 0.16120 0.16152 0.16188 0.16220 0.16355 0.16428 0.16434 0.16590 0.16803 0.17035 0.17188 0.17393 0.17554 0.17813 0.18301 0.18573 0.18683 0.18880 0.18961 0.19083 0.19613 0.19673 0.19970 0.20533 0.20623 0.20996 0.21159 0.21444 0.21719 0.21835 0.21957 0.22473 0.22769 0.23411 0.23900 0.24073 0.24498 0.24536 0.24688 0.24893 0.25123 0.25361 0.25740 0.25832 0.26071 0.26099 0.26247 0.26454 0.26522 0.26973 0.27184 0.27294 0.27459 0.27706 0.27934 0.28098 0.28137 0.28277 0.28354 0.28511 0.28729 0.28862 0.28958 0.29022 0.29129 0.29326 0.29602 0.29867 0.29988 0.30061 0.30542 0.31007 0.31213 0.31327 0.31380 0.31541 0.31637 0.31762 0.31814 0.31876 0.31901 0.31905 0.31913 0.31930 0.31938 0.31955 0.31961 0.31982 0.31995 0.32015 0.32034 0.32058 0.32087 0.32103 0.32115 0.32129 0.32141 0.32149 0.32167 0.32172 0.32181 0.32189 0.32195 0.32201 0.32208 0.32220 0.32223 0.32235 0.32240 0.32244 0.32260 0.32269 0.32275 0.32284 0.32299 0.32305 0.32321 0.32339 0.32362 0.32381 0.32407 0.32415 0.32430 0.32478 0.32483 0.32514 0.32529 0.32573 0.32608 0.32629 0.32684 0.32716 0.32804 0.32894 0.32950 0.33012 0.33107 0.33225 0.33312 0.33522 0.33658 0.33874 0.34881 0.34919 0.34966 0.35141 0.35272 0.35594 0.35668 0.36113 0.36183 0.36592 0.36733 0.36909 0.37136 0.37400 0.37863 0.37911 0.38026 0.38496 0.39301 0.39572 0.39850 0.40488 0.41169 0.41636 0.41682 0.41823 0.42331 0.43216 0.45607 0.46808 0.49322 0.54695 0.55171 0.72253 0.90852 0.91099 0.92191 0.92663 1.26158 -2.24104014e-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 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 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 2.70707 2.73170 2.71829 2.67556 2.65394 2.74070 2.63422 2.73188 2.67566 1.84363 2.70878 1.83055 2.74197 2.57890 2.69227 2.70935 2.73745 2.54880 2.70626 1.82855 2.30511 2.54394 2.76738 2.29522 2.29899 2.30242 1.93418 2.89966 2.86015 2.85150 2.94428 2.94546 2.06319 2.91023 2.06489 2.93035 2.05827 2.89273 2.06347 2.07978 2.95204 2.94092 2.05619 2.90569 2.92153 2.89821 2.89160 2.07193 2.94372 2.92794 2.06375 2.06844 2.06888 2.90130 2.06410 2.87188 2.07065 2.91258 2.07417 2.93090 2.06979 2.06738 2.06459 2.06716 2.06768 2.95477 2.90264 2.07476 2.85130 2.07700 2.06064 2.92060 2.06120 2.06698 2.06669 2.06648 2.05694 2.05822 2.05424 2.05873 2.05666 2.05299 2.06821 2.06561 2.06410 2.85967 2.07604 2.88157 2.05960 2.06424 2.06763 2.06858 2.07134 2.08991 2.85951 2.53455 2.05267 2.06547 2.06494 2.06602 2.93633 2.06444 2.06968 2.84499 2.89897 2.89995 2.07492 2.78146 2.05930 2.91015 2.87766 2.06618 2.05817 2.06504 2.06789 2.06949 2.06926 2.06804 2.06917 2.07148 2.06868 2.84223 2.06442 2.07765 2.54215 2.06129 2.05780 2.06786 2.06659 2.06646 2.06272 2.02206 2.07779 2.01877 1.87128 1.86716 2.07441 2.09645 2.08121 1.89125 2.19378 1.90750 1.86363 1.86552 1.93978 1.98373 1.89848 2.02482 1.96261 1.81237 1.90611 1.87527 1.87248 1.81211 1.86137 1.92218 1.99805 1.95023 1.91456 1.88730 1.99390 1.84190 1.93466 1.93509 1.86919 1.91278 1.96236 1.80959 2.02661 1.84108 1.89442 1.90119 1.94146 1.92716 2.00368 1.80111 1.88393 1.97400 1.94798 1.87811 1.94604 1.88993 1.81880 1.86733 1.91171 1.91590 1.89598 1.92181 1.94918 1.86706 1.96841 1.89389 1.95882 1.84688 1.92333 1.97845 1.98504 1.82889 1.96363 1.87889 1.81199 2.00086 1.90233 1.89695 1.93359 1.86053 1.86405 1.89563 1.85683 1.90406 1.95666 1.92258 1.92612 1.90866 1.85333 1.90629 1.98381 1.88674 1.92398 2.02762 1.98735 1.78088 2.03160 1.77313 1.81075 2.05226 1.90655 1.92038 1.86358 1.88036 1.82691 1.90076 1.92599 2.00216 1.88038 1.86353 1.88656 2.00326 1.98679 1.82524 1.96706 1.78965 1.86840 2.05161 1.87169 1.95352 1.84013 1.87958 1.85441 1.91227 1.88132 1.90398 1.94162 1.91376 1.91031 1.94585 1.93482 1.91239 1.88588 1.89782 1.88563 1.88163 1.88232 1.92678 1.92658 1.91766 1.92808 1.89422 1.88135 1.91944 1.92339 1.93579 1.90883 1.93255 1.91804 1.92831 1.89415 1.90004 1.88985 1.91962 1.95290 1.81577 2.01512 1.86317 1.88366 1.93819 1.92107 1.88540 1.99056 1.83362 1.88965 1.96100 1.92937 1.95023 1.88915 1.86798 1.86179 2.15119 2.10141 2.02873 2.14782 1.94882 2.18647 2.18742 2.01882 2.07686 1.84684 1.96126 1.94632 1.90866 1.90381 1.89574 2.05841 2.12159 2.10316 2.00792 1.91036 1.84856 1.90210 1.89649 1.89517 2.16090 1.93537 2.18681 1.97283 1.95444 1.82223 1.95284 1.87846 1.87376 2.21935 2.05865 2.00407 1.81150 1.90383 1.91125 1.99151 1.91359 1.92789 1.91491 1.92493 1.90936 1.92368 1.91407 1.87650 1.94358 1.92480 1.94597 1.88378 1.87950 1.88381 1.92984 1.94747 1.93766 1.87034 1.88805 1.88799 2.00103 1.89077 1.86816 1.92706 1.90151 1.87019 2.26249 1.98770 2.03121 2.22364 2.01989 2.03694 1.92643 1.94185 1.92496 1.89270 1.89473 1.88184 1.97108 -2.19562 -0.11926 -2.75358 1.36771 -0.76825 -0.99795 1.28371 -2.95675 -2.99716 1.06034 -1.03095 -0.92194 1.26800 -2.96987 1.76645 -2.30548 -0.32017 -1.20606 0.96172 3.06016 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-1.19945 0.90808 -1.04372 1.03619 -3.13947 1.01357 3.09347 -1.08219 0.82046 -2.38836 -2.37332 0.70105 3.04123 0.88048 -1.13095 -1.17210 2.95034 0.93890 1.00068 -1.16007 3.11168 1.02007 -1.08201 3.11370 -0.99645 -3.09854 1.09718 3.12161 1.01952 -1.06794 -2.11935 1.10455 0.02193 -3.03736 2.07128 -0.98801 0.05125 3.10985 -3.02172 0.03687 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000057 0.000005 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -3.378938e-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 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 12 12 13 14 15 16 16 16 16 18 18 18 19 19 20 20 21 21 22 23 23 23 24 24 24 25 25 26 26 26 27 27 28 28 29 29 30 30 31 31 31 32 32 32 33 33 33 34 34 34 35 35 36 36 36 37 37 37 38 38 38 39 39 39 40 40 41 41 41 42 42 42 43 44 45 45 46 46 46 48 48 48 49 50 50 50 51 51 52 52 52 53 53 53 54 54 54 55 55 55 56 56 56 57 57 58 59 59 59 19 25 21 22 22 23 25 29 20 85 24 95 28 44 30 46 35 49 40 109 43 47 52 44 47 49 17 18 37 38 19 20 60 21 61 22 62 32 63 64 26 30 65 27 28 36 27 66 31 34 67 68 69 29 70 39 71 35 72 33 73 74 75 76 77 40 42 78 43 79 80 41 81 82 83 84 86 87 88 89 90 91 92 93 94 45 96 47 97 98 99 100 101 102 48 51 103 104 105 106 50 107 108 53 54 55 110 57 111 56 59 112 113 114 115 116 117 118 119 120 121 58 122 123 58 124 125 126 127 128 1.4325 1.4456 1.4385 1.4158 1.4044 1.4503 1.394 1.4456 1.4159 0.9756 1.4334 0.9687 1.451 1.3647 1.4247 1.4337 1.4486 1.3488 1.4321 0.9676 1.2198 1.3462 1.4644 1.2146 1.2166 1.2184 1.0235 1.5344 1.5135 1.509 1.558 1.5587 1.0918 1.54 1.0927 1.5507 1.0892 1.5308 1.0919 1.1006 1.5622 1.5563 1.0881 1.5376 1.546 1.5337 1.5302 1.0964 1.5577 1.5494 1.0921 1.0946 1.0948 1.5353 1.0923 1.5197 1.0957 1.5413 1.0976 1.551 1.0953 1.094 1.0925 1.0939 1.0942 1.5636 1.536 1.0979 1.5088 1.0991 1.0904 1.5455 1.0907 1.0938 1.0936 1.0935 1.0885 1.0892 1.0871 1.0894 1.0883 1.0864 1.0944 1.0931 1.0923 1.5133 1.0986 1.5249 1.0899 1.0923 1.0941 1.0946 1.0961 1.1059 1.5132 1.3412 1.0862 1.093 1.0927 1.0933 1.5538 1.0925 1.0952 1.5055 1.5341 1.5346 1.098 1.4719 1.0897 1.54 1.5228 1.0934 1.0891 1.0928 1.0943 1.0951 1.095 1.0944 1.095 1.0962 1.0947 1.504 1.0924 1.0994 1.3452 1.0908 1.0889 1.0943 1.0936 1.0935 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 19 21 22 25 20 24 28 30 35 40 47 17 17 17 18 18 37 16 16 16 19 19 20 1 1 1 18 18 21 5 5 5 18 18 22 2 2 2 19 19 32 2 2 2 3 3 20 3 3 3 26 26 30 6 6 6 27 27 28 1 1 1 4 4 27 23 23 23 31 31 34 24 24 24 25 25 68 7 7 7 24 24 29 4 4 4 28 28 39 8 8 8 23 23 35 26 26 26 33 33 73 21 21 21 75 75 76 31 31 31 40 40 42 26 26 26 43 43 79 9 9 9 30 30 41 24 24 24 82 82 83 16 16 16 86 86 87 16 16 16 89 89 90 29 29 29 92 92 93 10 10 10 33 33 45 35 35 35 47 47 97 33 33 33 99 99 100 11 11 34 7 7 13 40 40 51 8 8 8 104 104 105 12 12 14 44 44 44 50 50 107 9 9 15 48 48 48 54 54 55 45 45 57 12 12 12 56 56 59 49 49 49 113 113 114 50 50 50 116 116 117 50 50 50 119 119 120 52 52 52 58 58 122 51 51 58 56 56 57 52 52 52 126 126 127 1 2 3 4 5 6 7 8 9 10 12 16 16 16 16 16 16 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 44 44 44 45 45 45 46 46 46 46 46 46 47 47 47 48 48 48 48 48 48 49 49 49 50 50 50 50 50 50 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 58 58 58 59 59 59 59 59 59 25 22 23 29 85 95 44 46 49 109 52 18 37 38 37 38 38 19 20 60 20 60 60 18 21 61 21 61 61 18 22 62 22 62 62 19 32 63 32 63 63 3 20 64 20 64 64 26 30 65 30 65 65 27 28 36 28 36 36 4 27 66 27 66 66 31 34 67 34 67 67 25 68 69 68 69 69 24 29 70 29 70 70 28 39 71 39 71 71 23 35 72 35 72 72 33 73 74 73 74 74 75 76 77 76 77 77 40 42 78 42 78 78 43 79 80 79 80 80 30 41 81 41 81 81 82 83 84 83 84 84 86 87 88 87 88 88 89 90 91 90 91 91 92 93 94 93 94 94 33 45 96 45 96 96 47 97 98 97 98 98 99 100 101 100 101 101 34 102 102 13 48 48 51 103 103 104 105 106 105 106 106 14 41 41 50 107 108 107 108 108 15 53 53 54 55 110 55 110 110 57 111 111 56 59 112 59 112 112 113 114 115 114 115 115 116 117 118 117 118 118 119 120 121 120 121 121 58 122 123 122 123 123 58 124 124 57 125 125 126 127 128 127 128 128 118.1852 115.8557 119.0488 115.6671 107.2164 106.9802 118.8547 120.1177 119.2444 108.3609 125.6941 109.292 106.7783 106.8862 111.141 113.6592 108.7748 116.0139 112.449 103.8414 109.212 107.4453 107.2852 103.8262 106.6487 110.1327 114.4797 111.7398 109.6962 108.1341 114.2421 105.5332 110.8481 110.8726 107.0964 109.594 112.4349 103.6817 116.1163 105.4859 108.5425 108.9299 111.2372 110.418 114.8025 103.1963 107.9415 113.1018 111.6113 107.6078 111.4999 108.2853 104.2098 106.9904 109.533 109.7731 108.6318 110.1118 111.6799 106.9748 112.7819 108.5121 112.2324 105.8184 110.1986 113.3566 113.7344 104.7875 112.5074 107.6522 103.8194 114.6407 108.9953 108.6874 110.7867 106.6008 106.8023 108.6118 106.3886 109.0943 112.1086 110.1557 110.3584 109.3582 106.1879 109.2226 113.6641 108.1023 110.2361 116.1742 113.8665 102.0367 116.4022 101.5928 103.7483 117.5856 109.2372 110.0295 106.7755 107.7368 104.6744 108.9054 110.3509 114.7152 107.7376 106.7725 108.0921 114.7784 113.835 104.5783 112.7041 102.5393 107.0517 117.5484 107.2402 111.9285 105.4315 107.6922 106.2501 109.5648 107.7918 109.0899 111.2465 109.6505 109.4528 111.4892 110.8572 109.572 108.0529 108.737 108.0387 107.8092 107.849 110.3961 110.385 109.8738 110.4706 108.5307 107.7936 109.9758 110.2023 110.9125 109.3679 110.7267 109.8958 110.4842 108.5266 108.8644 108.2803 109.9859 111.8927 104.0359 115.4581 106.7518 107.9259 111.05 110.0692 108.0257 114.0507 105.0589 108.2691 112.3573 110.545 111.7402 108.2406 107.0274 106.6727 123.2542 120.4017 116.2379 123.0608 111.659 125.2753 125.3299 115.67 118.9955 105.8162 112.372 111.5159 109.3583 109.08 108.618 117.938 121.558 120.5025 115.0453 109.4558 105.9145 108.9824 108.6608 108.5853 123.8104 110.8884 125.2949 113.0349 111.9812 104.4063 111.8897 107.6277 107.3583 127.1594 117.952 114.8248 103.7912 109.0812 109.5066 114.1051 109.6405 110.4599 109.7162 110.2903 109.3982 110.2185 109.668 107.5153 111.3591 110.283 111.4959 107.9324 107.6873 107.9342 110.5719 111.5819 111.0196 107.1624 108.1773 108.1739 114.6506 108.333 107.0379 110.4122 108.9485 107.1539 129.6313 113.8871 116.3799 127.4052 115.7314 116.7079 110.3761 111.2595 110.2919 108.4436 108.56 107.8214 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 25 25 25 19 19 19 22 22 22 21 21 21 23 23 23 22 22 22 29 29 29 25 25 25 85 85 85 95 95 95 44 44 44 28 28 46 46 46 30 30 30 49 49 49 35 35 109 109 109 52 52 47 47 47 17 17 17 37 37 37 38 38 38 17 17 17 18 18 18 38 38 38 17 17 17 18 18 18 37 37 37 16 16 16 20 20 20 60 60 60 16 16 16 19 19 19 60 60 60 1 1 1 18 18 18 61 61 61 5 5 5 18 18 18 62 62 62 2 2 2 19 19 19 63 63 63 3 3 3 30 30 30 65 65 65 3 3 3 26 26 26 65 65 65 6 6 6 28 28 28 36 36 36 6 6 6 27 27 27 36 36 36 6 6 6 27 27 27 28 28 28 1 1 1 4 4 4 66 66 66 23 23 23 34 34 34 67 67 67 23 23 23 31 31 31 67 67 67 7 7 7 24 24 24 70 70 70 4 4 4 28 28 28 71 71 71 8 8 8 23 23 23 72 72 72 26 26 26 73 73 73 74 74 74 31 31 31 42 42 42 78 78 78 31 31 31 40 40 40 78 78 78 26 26 79 79 80 80 9 9 9 30 30 30 81 81 81 10 10 33 33 96 96 35 35 97 97 98 98 7 7 7 13 13 13 40 40 103 103 44 44 44 107 107 107 108 108 108 9 9 9 15 15 15 48 48 48 55 55 55 110 110 110 48 48 48 54 54 54 110 110 110 45 45 111 111 12 12 12 59 59 59 112 112 112 12 12 12 56 56 56 112 112 112 52 52 122 122 123 123 51 51 124 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 6 6 6 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 10 10 10 12 12 12 12 12 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 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 21 21 21 21 21 21 21 21 21 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 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 31 31 31 31 31 31 31 31 31 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 35 35 35 35 35 35 40 40 40 40 40 40 41 41 41 41 41 41 44 44 44 44 44 44 45 45 45 45 48 48 48 48 48 48 48 48 48 49 49 49 49 49 49 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 51 51 51 51 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 56 56 56 56 56 56 57 57 57 19 19 19 25 25 25 21 21 21 22 22 22 22 22 22 23 23 23 25 25 25 29 29 29 20 20 20 24 24 24 28 28 28 44 44 30 30 30 46 46 46 35 35 35 49 49 40 40 40 47 47 52 52 52 18 18 18 18 18 18 18 18 18 37 37 37 37 37 37 37 37 37 38 38 38 38 38 38 38 38 38 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 32 32 32 32 32 32 32 32 32 26 26 26 26 26 26 26 26 26 30 30 30 30 30 30 30 30 30 27 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 36 36 36 36 36 36 36 36 36 27 27 27 27 27 27 27 27 27 31 31 31 31 31 31 31 31 31 34 34 34 34 34 34 34 34 34 29 29 29 29 29 29 29 29 29 39 39 39 39 39 39 39 39 39 35 35 35 35 35 35 35 35 35 33 33 33 33 33 33 33 33 33 40 40 40 40 40 40 40 40 40 42 42 42 42 42 42 42 42 42 43 43 43 43 43 43 41 41 41 41 41 41 41 41 41 45 45 45 45 45 45 47 47 47 47 47 47 48 48 48 48 48 48 51 51 51 51 50 50 50 50 50 50 50 50 50 53 53 53 53 53 53 54 54 54 54 54 54 54 54 54 55 55 55 55 55 55 55 55 55 57 57 57 57 56 56 56 56 56 56 56 56 56 59 59 59 59 59 59 59 59 59 58 58 58 58 58 58 58 58 58 18 21 61 4 27 66 19 32 63 3 20 64 2 20 64 26 30 65 1 27 66 28 39 71 18 22 62 27 28 36 24 29 70 13 48 23 35 72 104 105 106 30 41 81 15 53 33 45 96 14 41 56 59 112 19 20 60 19 20 60 19 20 60 86 87 88 86 87 88 86 87 88 89 90 91 89 90 91 89 90 91 1 21 61 1 21 61 1 21 61 5 22 62 5 22 62 5 22 62 2 32 63 2 32 63 2 32 63 2 3 64 2 3 64 2 3 64 75 76 77 75 76 77 75 76 77 31 34 67 31 34 67 31 34 67 8 35 72 8 35 72 8 35 72 25 68 69 25 68 69 25 68 69 7 29 70 7 29 70 7 29 70 82 83 84 82 83 84 82 83 84 24 68 69 24 68 69 24 68 69 33 73 74 33 73 74 33 73 74 43 79 80 43 79 80 43 79 80 4 39 71 4 39 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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 758.4471000000007 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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 0 758.4471000000007 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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 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 12 12 13 14 15 16 16 16 16 18 18 18 19 19 20 20 21 21 22 23 23 23 24 24 24 25 25 26 26 26 27 27 28 28 29 29 30 30 31 31 31 32 32 32 33 33 33 34 34 34 35 35 36 36 36 37 37 37 38 38 38 39 39 39 40 40 41 41 41 42 42 42 43 44 45 45 46 46 46 48 48 48 49 50 50 50 51 51 52 52 52 53 53 53 54 54 54 55 55 55 56 56 56 57 57 58 59 59 59 19 25 21 22 22 23 25 29 20 85 24 95 28 44 30 46 35 49 40 109 43 47 52 44 47 49 17 18 37 38 19 20 60 21 61 22 62 32 63 64 26 30 65 27 28 36 27 66 31 34 67 68 69 29 70 39 71 35 72 33 73 74 75 76 77 40 42 78 43 79 80 41 81 82 83 84 86 87 88 89 90 91 92 93 94 45 96 47 97 98 99 100 101 102 48 51 103 104 105 106 50 107 108 53 54 55 110 57 111 56 59 112 113 114 115 116 117 118 119 120 121 58 122 123 58 124 125 126 127 128 1.4325 1.4456 1.4385 1.4158 1.4044 1.4503 1.394 1.4456 1.4159 0.9756 1.4334 0.9687 1.451 1.3647 1.4247 1.4337 1.4486 1.3488 1.4321 0.9676 1.2198 1.3462 1.4644 1.2146 1.2166 1.2184 1.0235 1.5344 1.5135 1.509 1.558 1.5587 1.0918 1.54 1.0927 1.5507 1.0892 1.5308 1.0919 1.1006 1.5622 1.5563 1.0881 1.5376 1.546 1.5337 1.5302 1.0964 1.5577 1.5494 1.0921 1.0946 1.0948 1.5353 1.0923 1.5197 1.0957 1.5413 1.0976 1.551 1.0953 1.094 1.0925 1.0939 1.0942 1.5636 1.536 1.0979 1.5088 1.0991 1.0904 1.5455 1.0907 1.0938 1.0936 1.0935 1.0885 1.0892 1.0871 1.0894 1.0883 1.0864 1.0944 1.0931 1.0923 1.5133 1.0986 1.5249 1.0899 1.0923 1.0941 1.0946 1.0961 1.1059 1.5132 1.3412 1.0862 1.093 1.0927 1.0933 1.5538 1.0925 1.0952 1.5055 1.5341 1.5346 1.098 1.4719 1.0897 1.54 1.5228 1.0934 1.0891 1.0928 1.0943 1.0951 1.095 1.0944 1.095 1.0962 1.0947 1.504 1.0924 1.0994 1.3452 1.0908 1.0889 1.0943 1.0936 1.0935 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 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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|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 19 21 22 25 20 24 28 30 35 40 47 17 17 17 18 18 37 16 16 16 19 19 20 1 1 1 18 18 21 5 5 5 18 18 22 2 2 2 19 19 32 2 2 2 3 3 20 3 3 3 26 26 30 6 6 6 27 27 28 1 1 1 4 4 27 23 23 23 31 31 34 24 24 24 25 25 68 7 7 7 24 24 29 4 4 4 28 28 39 8 8 8 23 23 35 26 26 26 33 33 73 21 21 21 75 75 76 31 31 31 40 40 42 26 26 26 43 43 79 9 9 9 30 30 41 24 24 24 82 82 83 16 16 16 86 86 87 16 16 16 89 89 90 29 29 29 92 92 93 10 10 10 33 33 45 35 35 35 47 47 97 33 33 33 99 99 100 11 11 34 7 7 13 40 40 51 8 8 8 104 104 105 12 12 14 44 44 44 50 50 107 9 9 15 48 48 48 54 54 55 45 45 57 12 12 12 56 56 59 49 49 49 113 113 114 50 50 50 116 116 117 50 50 50 119 119 120 52 52 52 58 58 122 51 51 58 56 56 57 52 52 52 126 126 127 1 2 3 4 5 6 7 8 9 10 12 16 16 16 16 16 16 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 44 44 44 45 45 45 46 46 46 46 46 46 47 47 47 48 48 48 48 48 48 49 49 49 50 50 50 50 50 50 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 58 58 58 59 59 59 59 59 59 25 22 23 29 85 95 44 46 49 109 52 18 37 38 37 38 38 19 20 60 20 60 60 18 21 61 21 61 61 18 22 62 22 62 62 19 32 63 32 63 63 3 20 64 20 64 64 26 30 65 30 65 65 27 28 36 28 36 36 4 27 66 27 66 66 31 34 67 34 67 67 25 68 69 68 69 69 24 29 70 29 70 70 28 39 71 39 71 71 23 35 72 35 72 72 33 73 74 73 74 74 75 76 77 76 77 77 40 42 78 42 78 78 43 79 80 79 80 80 30 41 81 41 81 81 82 83 84 83 84 84 86 87 88 87 88 88 89 90 91 90 91 91 92 93 94 93 94 94 33 45 96 45 96 96 47 97 98 97 98 98 99 100 101 100 101 101 34 102 102 13 48 48 51 103 103 104 105 106 105 106 106 14 41 41 50 107 108 107 108 108 15 53 53 54 55 110 55 110 110 57 111 111 56 59 112 59 112 112 113 114 115 114 115 115 116 117 118 117 118 118 119 120 121 120 121 121 58 122 123 122 123 123 58 124 124 57 125 125 126 127 128 127 128 128 118.1852 115.8557 119.0488 115.6671 107.2164 106.9802 118.8547 120.1177 119.2444 108.3609 125.6941 109.292 106.7783 106.8862 111.141 113.6592 108.7748 116.0139 112.449 103.8414 109.212 107.4453 107.2852 103.8262 106.6487 110.1327 114.4797 111.7398 109.6962 108.1341 114.2421 105.5332 110.8481 110.8726 107.0964 109.594 112.4349 103.6817 116.1163 105.4859 108.5425 108.9299 111.2372 110.418 114.8025 103.1963 107.9415 113.1018 111.6113 107.6078 111.4999 108.2853 104.2098 106.9904 109.533 109.7731 108.6318 110.1118 111.6799 106.9748 112.7819 108.5121 112.2324 105.8184 110.1986 113.3566 113.7344 104.7875 112.5074 107.6522 103.8194 114.6407 108.9953 108.6874 110.7867 106.6008 106.8023 108.6118 106.3886 109.0943 112.1086 110.1557 110.3584 109.3582 106.1879 109.2226 113.6641 108.1023 110.2361 116.1742 113.8665 102.0367 116.4022 101.5928 103.7483 117.5856 109.2372 110.0295 106.7755 107.7368 104.6744 108.9054 110.3509 114.7152 107.7376 106.7725 108.0921 114.7784 113.835 104.5783 112.7041 102.5393 107.0517 117.5484 107.2402 111.9285 105.4315 107.6922 106.2501 109.5648 107.7918 109.0899 111.2465 109.6505 109.4528 111.4892 110.8572 109.572 108.0529 108.737 108.0387 107.8092 107.849 110.3961 110.385 109.8738 110.4706 108.5307 107.7936 109.9758 110.2023 110.9125 109.3679 110.7267 109.8958 110.4842 108.5266 108.8644 108.2803 109.9859 111.8927 104.0359 115.4581 106.7518 107.9259 111.05 110.0692 108.0257 114.0507 105.0589 108.2691 112.3573 110.545 111.7402 108.2406 107.0274 106.6727 123.2542 120.4017 116.2379 123.0608 111.659 125.2753 125.3299 115.67 118.9955 105.8162 112.372 111.5159 109.3583 109.08 108.618 117.938 121.558 120.5025 115.0453 109.4558 105.9145 108.9824 108.6608 108.5853 123.8104 110.8884 125.2949 113.0349 111.9812 104.4063 111.8897 107.6277 107.3583 127.1594 117.952 114.8248 103.7912 109.0812 109.5066 114.1051 109.6405 110.4599 109.7162 110.2903 109.3982 110.2185 109.668 107.5153 111.3591 110.283 111.4959 107.9324 107.6873 107.9342 110.5719 111.5819 111.0196 107.1624 108.1773 108.1739 114.6506 108.333 107.0379 110.4122 108.9485 107.1539 129.6313 113.8871 116.3799 127.4052 115.7314 116.7079 110.3761 111.2595 110.2919 108.4436 108.56 107.8214 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 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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 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 25 25 25 19 19 19 22 22 22 21 21 21 23 23 23 22 22 22 29 29 29 25 25 25 85 85 85 95 95 95 44 44 44 28 28 46 46 46 30 30 30 49 49 49 35 35 109 109 109 52 52 47 47 47 17 17 17 37 37 37 38 38 38 17 17 17 18 18 18 38 38 38 17 17 17 18 18 18 37 37 37 16 16 16 20 20 20 60 60 60 16 16 16 19 19 19 60 60 60 1 1 1 18 18 18 61 61 61 5 5 5 18 18 18 62 62 62 2 2 2 19 19 19 63 63 63 3 3 3 30 30 30 65 65 65 3 3 3 26 26 26 65 65 65 6 6 6 28 28 28 36 36 36 6 6 6 27 27 27 36 36 36 6 6 6 27 27 27 28 28 28 1 1 1 4 4 4 66 66 66 23 23 23 34 34 34 67 67 67 23 23 23 31 31 31 67 67 67 7 7 7 24 24 24 70 70 70 4 4 4 28 28 28 71 71 71 8 8 8 23 23 23 72 72 72 26 26 26 73 73 73 74 74 74 31 31 31 42 42 42 78 78 78 31 31 31 40 40 40 78 78 78 26 26 79 79 80 80 9 9 9 30 30 30 81 81 81 10 10 33 33 96 96 35 35 97 97 98 98 7 7 7 13 13 13 40 40 103 103 44 44 44 107 107 107 108 108 108 9 9 9 15 15 15 48 48 48 55 55 55 110 110 110 48 48 48 54 54 54 110 110 110 45 45 111 111 12 12 12 59 59 59 112 112 112 12 12 12 56 56 56 112 112 112 52 52 122 122 123 123 51 51 124 124 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 6 6 6 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 10 10 10 12 12 12 12 12 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 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 21 21 21 21 21 21 21 21 21 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 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 31 31 31 31 31 31 31 31 31 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 35 35 35 35 35 35 40 40 40 40 40 40 41 41 41 41 41 41 44 44 44 44 44 44 45 45 45 45 48 48 48 48 48 48 48 48 48 49 49 49 49 49 49 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 51 51 51 51 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 56 56 56 56 56 56 57 57 57 57 19 19 19 25 25 25 21 21 21 22 22 22 22 22 22 23 23 23 25 25 25 29 29 29 20 20 20 24 24 24 28 28 28 44 44 30 30 30 46 46 46 35 35 35 49 49 40 40 40 47 47 52 52 52 18 18 18 18 18 18 18 18 18 37 37 37 37 37 37 37 37 37 38 38 38 38 38 38 38 38 38 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 32 32 32 32 32 32 32 32 32 26 26 26 26 26 26 26 26 26 30 30 30 30 30 30 30 30 30 27 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 36 36 36 36 36 36 36 36 36 27 27 27 27 27 27 27 27 27 31 31 31 31 31 31 31 31 31 34 34 34 34 34 34 34 34 34 29 29 29 29 29 29 29 29 29 39 39 39 39 39 39 39 39 39 35 35 35 35 35 35 35 35 35 33 33 33 33 33 33 33 33 33 40 40 40 40 40 40 40 40 40 42 42 42 42 42 42 42 42 42 43 43 43 43 43 43 41 41 41 41 41 41 41 41 41 45 45 45 45 45 45 47 47 47 47 47 47 48 48 48 48 48 48 51 51 51 51 50 50 50 50 50 50 50 50 50 53 53 53 53 53 53 54 54 54 54 54 54 54 54 54 55 55 55 55 55 55 55 55 55 57 57 57 57 56 56 56 56 56 56 56 56 56 59 59 59 59 59 59 59 59 59 58 58 58 58 58 58 58 58 58 58 18 21 61 4 27 66 19 32 63 3 20 64 2 20 64 26 30 65 1 27 66 28 39 71 18 22 62 27 28 36 24 29 70 13 48 23 35 72 104 105 106 30 41 81 15 53 33 45 96 14 41 56 59 112 19 20 60 19 20 60 19 20 60 86 87 88 86 87 88 86 87 88 89 90 91 89 90 91 89 90 91 1 21 61 1 21 61 1 21 61 5 22 62 5 22 62 5 22 62 2 32 63 2 32 63 2 32 63 2 3 64 2 3 64 2 3 64 75 76 77 75 76 77 75 76 77 31 34 67 31 34 67 31 34 67 8 35 72 8 35 72 8 35 72 25 68 69 25 68 69 25 68 69 7 29 70 7 29 70 7 29 70 82 83 84 82 83 84 82 83 84 24 68 69 24 68 69 24 68 69 33 73 74 33 73 74 33 73 74 43 79 80 43 79 80 43 79 80 4 39 71 4 39 71 4 39 71 92 93 94 92 93 94 92 93 94 9 41 81 9 41 81 9 41 81 40 42 78 40 42 78 40 42 78 10 45 96 10 45 96 10 45 96 99 100 101 99 100 101 99 100 101 11 102 11 102 11 102 47 97 98 47 97 98 47 97 98 51 103 51 103 51 103 12 14 12 14 12 14 50 107 108 50 107 108 57 111 57 111 54 55 110 54 55 110 54 55 110 113 114 115 113 114 115 116 117 118 116 117 118 116 117 118 119 120 121 119 120 121 119 120 121 58 124 58 124 58 122 123 58 122 123 58 122 123 126 127 128 126 127 128 126 127 128 57 125 57 125 57 125 56 125 56 125 112.9348 -125.7998 -6.8332 -157.7687 78.3638 -44.0175 -57.1783 73.5509 -169.4096 -171.7248 60.7529 -59.0694 -52.8233 72.6513 -170.161 101.2099 -132.0941 -18.3444 -69.102 55.1026 175.3341 -59.5215 177.4552 58.5961 44.2514 -79.6791 162.947 174.0225 56.4504 -66.511 -116.3695 122.7671 3.7189 7.1092 -172.1193 79.5343 -59.8652 -170.9691 -158.4661 -39.181 83.0523 141.9205 -96.8845 21.8775 -1.6995 179.1714 57.0169 -72.7075 171.0369 175.3862 -4.1635 -147.1012 90.9006 -30.0926 -76.339 50.3753 166.0275 166.0628 -67.2229 48.4292 42.959 169.6733 -74.6745 56.1301 175.3263 -63.8955 175.2449 -65.5589 55.2193 -58.8897 60.3066 -178.9152 174.8532 -65.8 53.3599 54.1928 173.5396 -67.3004 -70.1972 49.1496 168.3096 -164.0507 80.0845 -45.3821 67.6305 -48.2342 -173.7008 -48.4306 -164.2953 70.2381 152.6478 -81.4045 37.4041 -77.0727 48.875 167.6836 39.0906 165.0383 -76.1531 -63.6883 167.5807 47.3597 50.5305 -78.2005 161.5785 177.0612 48.3302 -71.8909 67.2966 -56.9671 -171.4215 -55.1655 -179.4293 66.1163 -176.2305 59.5058 -54.9487 56.3482 174.4152 -63.2175 -176.3162 -58.2492 64.1182 -57.7559 60.311 -177.3216 -96.8971 33.2964 145.9983 136.3479 -93.4586 19.2433 22.2672 152.4607 -94.8374 -92.9391 45.4218 157.304 34.6248 172.9856 -75.1321 151.2147 -70.4244 41.4578 -72.1708 52.6373 168.688 45.9909 170.799 -73.1503 168.5812 -66.6107 49.44 -51.2151 66.0529 -170.6415 -167.7546 -50.4866 72.819 70.609 -172.123 -48.8174 -179.25 60.3257 -58.8281 -61.7129 177.8627 58.7089 59.0644 -61.3599 179.4863 72.6871 -51.172 -167.0091 -48.2273 -172.0864 72.0765 -165.8832 70.2577 -45.5794 -130.9661 107.2159 -7.1648 98.227 -23.591 -137.9717 -15.5509 -137.3689 108.2504 -57.6398 -176.0713 67.7754 72.9757 -45.4558 -161.6091 -170.9235 70.645 -45.5082 175.1255 -66.4119 56.31 56.535 174.9976 -62.2804 -66.6565 51.8061 174.5281 61.4698 -58.4143 -177.8399 -58.7992 -178.6832 61.8912 179.66 59.776 -59.6496 59.1734 -59.9119 178.8733 -80.1294 160.7853 39.5705 169.234 50.1487 -71.0661 77.408 -54.557 -171.0531 -159.5153 68.5197 -47.9764 -47.5399 -179.5048 63.999 152.6721 -79.5517 40.4016 -74.8272 52.949 172.9023 39.9247 167.7009 -72.3458 64.3343 -56.7022 -175.342 -68.6277 170.3358 51.696 179.3791 58.3426 -60.2972 142.8732 -40.8666 -97.7353 78.5249 15.3911 -168.3487 158.1421 -74.5914 43.4337 -81.718 45.5484 163.5736 39.6124 166.8788 -75.096 9.1075 -171.6887 -117.7107 61.4931 122.9804 -57.8158 109.4156 -70.1228 -15.6427 164.8189 -134.0389 46.4228 -105.5184 17.564 134.4497 75.2737 -161.644 -44.7583 178.4512 1.5235 -0.7283 -177.656 -60.2048 67.277 -176.8826 176.4607 -56.0575 59.7829 58.3019 -174.2163 -58.3759 -174.3049 -52.7101 65.3481 6.5817 128.1765 -113.7654 -55.0653 -174.8662 65.2416 177.4049 57.604 -62.2882 59.6922 -60.1087 179.9991 172.1067 -68.7233 52.0288 -59.8009 59.3691 -179.8787 58.0729 177.2429 -62.0049 47.0089 -136.8428 -135.9812 40.1671 174.2499 50.448 -64.7988 -67.1564 169.0418 53.795 57.3349 -66.4669 178.2863 58.4456 -61.9949 178.4022 -57.0926 -177.5331 62.8639 178.8549 58.4145 -61.1885 -121.4298 63.2859 1.2565 -174.0277 118.6755 -56.6087 2.9366 178.181 -173.1321 2.1123 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 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. 0.00039 0.00101 0.00135 0.00148 0.00174 0.00178 0.00232 0.00234 0.00247 0.00250 0.00254 0.00269 0.00308 0.00316 0.00324 0.00339 0.00351 0.00381 0.00397 0.00420 0.00430 0.00503 0.00517 0.00573 0.00599 0.00616 0.00633 0.00686 0.00706 0.00793 0.00859 0.00913 0.01020 0.01112 0.01203 0.01249 0.01259 0.01333 0.01373 0.01502 0.01628 0.01815 0.02034 0.02297 0.02360 0.02536 0.02681 0.02768 0.02791 0.02958 0.03030 0.03035 0.03280 0.03397 0.03446 0.03481 0.03513 0.03706 0.03740 0.03823 0.03851 0.03870 0.03883 0.03906 0.04004 0.04009 0.04124 0.04159 0.04202 0.04211 0.04233 0.04257 0.04302 0.04337 0.04364 0.04386 0.04394 0.04401 0.04416 0.04437 0.04460 0.04487 0.04495 0.04517 0.04534 0.04549 0.04572 0.04587 0.04588 0.04622 0.04646 0.04652 0.04709 0.04713 0.04786 0.04802 0.04808 0.04820 0.04847 0.04853 0.04891 0.04976 0.04997 0.05081 0.05112 0.05180 0.05226 0.05288 0.05394 0.05480 0.05533 0.05593 0.05603 0.05606 0.05673 0.05760 0.05863 0.05946 0.05968 0.06091 0.06207 0.06274 0.06381 0.06452 0.06539 0.06604 0.06762 0.06833 0.07065 0.07179 0.07270 0.07294 0.07336 0.07393 0.07532 0.07674 0.07733 0.07841 0.07879 0.07976 0.07993 0.08313 0.08582 0.08615 0.08748 0.08921 0.08987 0.09464 0.09597 0.10274 0.10511 0.10742 0.10898 0.10983 0.11113 0.11210 0.11344 0.11762 0.12071 0.12109 0.12132 0.12206 0.12416 0.12458 0.12465 0.12478 0.12490 0.12508 0.12607 0.12659 0.12691 0.12871 0.12915 0.12937 0.13209 0.13239 0.13256 0.13275 0.13388 0.13397 0.13588 0.13620 0.13925 0.13960 0.14031 0.14345 0.14484 0.14568 0.14582 0.14623 0.14895 0.14932 0.14993 0.15209 0.15247 0.15907 0.15968 0.16248 0.16511 0.16628 0.16685 0.16830 0.16969 0.17325 0.17402 0.17701 0.17724 0.17949 0.18132 0.18192 0.18339 0.18444 0.18525 0.18699 0.18760 0.18988 0.19121 0.19237 0.19272 0.19353 0.19665 0.19738 0.19808 0.19846 0.19986 0.20203 0.20460 0.20594 0.20718 0.21019 0.21108 0.21360 0.21454 0.21654 0.21728 0.21977 0.22300 0.22430 0.22638 0.22697 0.22996 0.23089 0.23673 0.24528 0.24763 0.24981 0.25136 0.25398 0.25711 0.25799 0.26013 0.26115 0.26339 0.26463 0.26675 0.26874 0.27197 0.27282 0.27563 0.27733 0.27911 0.28107 0.28300 0.28313 0.28409 0.28741 0.28971 0.29306 0.29463 0.29993 0.30081 0.30287 0.30321 0.30591 0.30967 0.31103 0.31208 0.31348 0.31550 0.31747 0.31812 0.31989 0.32028 0.32104 0.32301 0.32606 0.32637 0.32874 0.32955 0.32996 0.33061 0.33151 0.33297 0.33407 0.33451 0.33478 0.33547 0.33599 0.33718 0.33755 0.33780 0.33798 0.33809 0.33865 0.34005 0.34006 0.34034 0.34050 0.34098 0.34107 0.34135 0.34161 0.34185 0.34210 0.34221 0.34243 0.34253 0.34321 0.34401 0.34419 0.34428 0.34439 0.34526 0.34535 0.34558 0.34580 0.34590 0.34646 0.34703 0.34712 0.34787 0.34797 0.34811 0.34909 0.34949 0.34969 0.35014 0.35040 0.35098 0.35327 0.35399 0.35495 0.35523 0.35537 0.35689 0.35745 0.35853 0.35898 0.36172 0.36248 0.36318 0.36414 0.36625 0.36732 0.36905 0.36982 0.37709 0.39262 0.39574 0.40264 0.41188 0.42701 0.44069 0.44909 0.46214 0.48516 0.51031 0.51754 0.51887 0.52777 0.59631 0.60650 0.71109 0.84168 0.84381 0.85981 0.86077 1.31524 Angle between quadratic step and forces= 80.37 degrees. 1 2 0.00000862 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 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 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 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1.86919 1.91278 1.96236 1.80959 2.02661 1.84108 1.89442 1.90119 1.94145 1.92716 2.00368 1.80111 1.88393 1.97400 1.94798 1.87811 1.94604 1.88993 1.81880 1.86733 1.91171 1.91590 1.89598 1.92181 1.94918 1.86706 1.96841 1.89389 1.95882 1.84688 1.92333 1.97845 1.98504 1.82889 1.96363 1.87889 1.81199 2.00086 1.90233 1.89695 1.93359 1.86053 1.86405 1.89563 1.85683 1.90406 1.95666 1.92258 1.92612 1.90866 1.85333 1.90629 1.98381 1.88674 1.92398 2.02762 1.98734 1.78088 2.03160 1.77313 1.81075 2.05226 1.90655 1.92038 1.86358 1.88036 1.82691 1.90076 1.92599 2.00216 1.88038 1.86353 1.88656 2.00326 1.98679 1.82524 1.96706 1.78965 1.86840 2.05161 1.87169 1.95352 1.84013 1.87958 1.85442 1.91227 1.88132 1.90398 1.94162 1.91376 1.91031 1.94585 1.93482 1.91239 1.88588 1.89782 1.88563 1.88163 1.88232 1.92677 1.92658 1.91766 1.92808 1.89422 1.88135 1.91944 1.92339 1.93579 1.90883 1.93255 1.91804 1.92831 1.89415 1.90004 1.88985 1.91962 1.95290 1.81577 2.01512 1.86317 1.88366 1.93819 1.92107 1.88540 1.99056 1.83362 1.88965 1.96100 1.92937 1.95023 1.88916 1.86798 1.86179 2.15119 2.10141 2.02873 2.14782 1.94882 2.18647 2.18742 2.01882 2.07686 1.84684 1.96126 1.94632 1.90866 1.90381 1.89574 2.05841 2.12159 2.10317 2.00792 1.91036 1.84856 1.90210 1.89649 1.89517 2.16090 1.93537 2.18681 1.97283 1.95444 1.82223 1.95284 1.87846 1.87376 2.21935 2.05865 2.00407 1.81150 1.90383 1.91125 1.99151 1.91359 1.92789 1.91491 1.92493 1.90936 1.92368 1.91407 1.87650 1.94358 1.92480 1.94597 1.88378 1.87950 1.88381 1.92984 1.94747 1.93766 1.87034 1.88805 1.88799 2.00103 1.89077 1.86816 1.92706 1.90151 1.87019 2.26249 1.98770 2.03121 2.22364 2.01989 2.03694 1.92643 1.94184 1.92496 1.89270 1.89473 1.88184 1.97108 -2.19563 -0.11927 -2.75357 1.36772 -0.76824 -0.99795 1.28371 -2.95675 -2.99716 1.06034 -1.03095 -0.92194 1.26800 -2.96987 1.76645 -2.30548 -0.32017 -1.20606 0.96172 3.06016 -1.03885 3.09718 1.02270 0.77233 -1.39066 2.84396 3.03727 0.98525 -1.16083 -2.03103 2.14269 0.06491 0.12408 -3.00405 1.38813 -1.04485 -2.98398 -2.76575 -0.68383 1.44954 2.47698 -1.69095 0.38184 -0.02966 3.12713 0.99513 -1.26899 2.98516 3.06106 -0.07268 -2.56739 1.58652 -0.52521 -1.33237 0.87921 2.89772 2.89834 -1.17327 0.84524 0.74977 2.96135 -1.30332 0.97966 3.06003 -1.11518 3.05860 -1.14421 0.96376 -1.02781 1.05255 -3.12265 3.05177 -1.14842 0.93132 0.94585 3.02885 -1.17461 -1.22516 0.85783 2.93756 -2.86322 1.39774 -0.79207 1.18038 -0.84184 -3.03165 -0.84527 -2.86749 1.22589 2.66420 -1.42078 0.65282 -1.34517 0.85303 2.92663 0.68226 2.88046 -1.32913 -1.11157 2.92483 0.82658 0.88192 -1.36486 2.82008 3.09030 0.84352 -1.25473 1.17455 -0.99426 -2.99187 -0.96282 -3.13163 1.15395 -3.07580 1.03857 -0.95904 0.98346 3.04412 -1.10336 -3.07730 -1.01664 1.11907 -1.00803 1.05262 -3.09485 -1.69117 0.58113 2.54815 2.37972 -1.63116 0.33586 0.38864 2.66094 -1.65522 -1.62209 0.79276 2.74548 0.60432 3.01917 -1.31130 2.63920 -1.22914 0.72358 -1.25962 0.91870 2.94416 0.80269 2.98101 -1.27671 2.94230 -1.16258 0.86289 -0.89387 1.15284 -2.97826 -2.92787 -0.88116 1.27093 1.23236 -3.00411 -0.85202 -3.12850 1.05288 -1.02674 -1.07709 3.10429 1.02466 1.03087 -1.07093 3.13263 1.26863 -0.89312 -2.91486 -0.84173 -3.00347 1.25797 -2.89521 1.22623 -0.79551 -2.28579 1.87127 -0.12505 1.71439 -0.41174 -2.40806 -0.27141 -2.39754 1.88933 -1.00600 -3.07302 1.18291 1.27367 -0.79335 -2.82061 -2.98318 1.23299 -0.79427 3.05652 -1.15911 0.98279 0.98672 3.05428 -1.08700 -1.16338 0.90419 3.04609 1.07285 -1.01952 -3.10389 -1.02624 -3.11861 1.08020 3.13566 1.04329 -1.04108 1.03277 -1.04566 3.12193 -1.39852 2.80623 0.69063 2.95369 0.87526 -1.24034 1.35102 -0.95220 -2.98544 -2.78407 1.19589 -0.83735 -0.82973 -3.13295 1.11699 2.66463 -1.38844 0.70514 -1.30598 0.92413 3.01771 0.69682 2.92693 -1.26267 1.12284 -0.98964 -3.06030 -1.19778 2.97292 0.90227 3.13076 1.01827 -1.05238 2.49360 -0.71326 -1.70581 1.37051 0.26862 -2.93825 2.76010 -1.30187 0.75806 -1.42625 0.79497 2.85490 0.69137 2.91258 -1.31067 0.15896 -2.99653 -2.05444 1.07326 2.14642 -1.00907 1.90967 -1.22387 -0.27301 2.87663 -2.33942 0.81023 -1.84165 0.30654 2.34659 1.31377 -2.82122 -0.78118 3.11456 0.02659 -0.01271 -3.10068 -1.05077 1.17421 -3.08718 3.07982 -0.97839 1.04341 1.01756 -3.04065 -1.01885 -3.04218 -0.91994 1.14056 0.11489 2.23712 -1.98556 -0.96107 -3.05199 1.13868 3.09630 1.00538 -1.08713 1.04183 -1.04909 3.14158 3.00383 -1.19945 0.90807 -1.04372 1.03619 -3.13948 1.01356 3.09347 -1.08219 0.82046 -2.38836 -2.37332 0.70105 3.04124 0.88048 -1.13095 -1.17210 2.95034 0.93890 1.00068 -1.16007 3.11168 1.02007 -1.08201 3.11371 -0.99645 -3.09854 1.09718 3.12161 1.01952 -1.06794 -2.11935 1.10455 0.02193 -3.03736 2.07128 -0.98801 0.05125 3.10985 -3.02172 0.03687 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000059 0.000009 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -5.477700e-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 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 12 12 13 14 15 16 16 16 16 18 18 18 19 19 20 20 21 21 22 23 23 23 24 24 24 25 25 26 26 26 27 27 28 28 29 29 30 30 31 31 31 32 32 32 33 33 33 34 34 34 35 35 36 36 36 37 37 37 38 38 38 39 39 39 40 40 41 41 41 42 42 42 43 44 45 45 46 46 46 48 48 48 49 50 50 50 51 51 52 52 52 53 53 53 54 54 54 55 55 55 56 56 56 57 57 58 59 59 59 19 25 21 22 22 23 25 29 20 85 24 95 28 44 30 46 35 49 40 109 43 47 52 44 47 49 17 18 37 38 19 20 60 21 61 22 62 32 63 64 26 30 65 27 28 36 27 66 31 34 67 68 69 29 70 39 71 35 72 33 73 74 75 76 77 40 42 78 43 79 80 41 81 82 83 84 86 87 88 89 90 91 92 93 94 45 96 47 97 98 99 100 101 102 48 51 103 104 105 106 50 107 108 53 54 55 110 57 111 56 59 112 113 114 115 116 117 118 119 120 121 58 122 123 58 124 125 126 127 128 1.4325 1.4456 1.4385 1.4158 1.4044 1.4503 1.394 1.4456 1.4159 0.9756 1.4334 0.9687 1.451 1.3647 1.4247 1.4337 1.4486 1.3488 1.4321 0.9676 1.2198 1.3462 1.4644 1.2146 1.2166 1.2184 1.0235 1.5344 1.5135 1.509 1.558 1.5587 1.0918 1.54 1.0927 1.5507 1.0892 1.5308 1.0919 1.1006 1.5622 1.5563 1.0881 1.5376 1.546 1.5337 1.5302 1.0964 1.5577 1.5494 1.0921 1.0946 1.0948 1.5353 1.0923 1.5197 1.0957 1.5413 1.0976 1.551 1.0953 1.094 1.0925 1.0939 1.0942 1.5636 1.536 1.0979 1.5088 1.0991 1.0904 1.5455 1.0907 1.0938 1.0936 1.0935 1.0885 1.0892 1.0871 1.0894 1.0883 1.0864 1.0944 1.0931 1.0923 1.5133 1.0986 1.5249 1.0899 1.0923 1.0941 1.0946 1.0961 1.1059 1.5132 1.3412 1.0862 1.093 1.0927 1.0933 1.5538 1.0925 1.0952 1.5055 1.5341 1.5346 1.098 1.4719 1.0897 1.54 1.5228 1.0934 1.0891 1.0928 1.0943 1.0951 1.095 1.0944 1.095 1.0962 1.0947 1.504 1.0924 1.0994 1.3452 1.0908 1.0889 1.0943 1.0936 1.0935 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 19 21 22 25 20 24 28 30 35 40 47 17 17 17 18 18 37 16 16 16 19 19 20 1 1 1 18 18 21 5 5 5 18 18 22 2 2 2 19 19 32 2 2 2 3 3 20 3 3 3 26 26 30 6 6 6 27 27 28 1 1 1 4 4 27 23 23 23 31 31 34 24 24 24 25 25 68 7 7 7 24 24 29 4 4 4 28 28 39 8 8 8 23 23 35 26 26 26 33 33 73 21 21 21 75 75 76 31 31 31 40 40 42 26 26 26 43 43 79 9 9 9 30 30 41 24 24 24 82 82 83 16 16 16 86 86 87 16 16 16 89 89 90 29 29 29 92 92 93 10 10 10 33 33 45 35 35 35 47 47 97 33 33 33 99 99 100 11 11 34 7 7 13 40 40 51 8 8 8 104 104 105 12 12 14 44 44 44 50 50 107 9 9 15 48 48 48 54 54 55 45 45 57 12 12 12 56 56 59 49 49 49 113 113 114 50 50 50 116 116 117 50 50 50 119 119 120 52 52 52 58 58 122 51 51 58 56 56 57 52 52 52 126 126 127 1 2 3 4 5 6 7 8 9 10 12 16 16 16 16 16 16 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 44 44 44 45 45 45 46 46 46 46 46 46 47 47 47 48 48 48 48 48 48 49 49 49 50 50 50 50 50 50 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 58 58 58 59 59 59 59 59 59 25 22 23 29 85 95 44 46 49 109 52 18 37 38 37 38 38 19 20 60 20 60 60 18 21 61 21 61 61 18 22 62 22 62 62 19 32 63 32 63 63 3 20 64 20 64 64 26 30 65 30 65 65 27 28 36 28 36 36 4 27 66 27 66 66 31 34 67 34 67 67 25 68 69 68 69 69 24 29 70 29 70 70 28 39 71 39 71 71 23 35 72 35 72 72 33 73 74 73 74 74 75 76 77 76 77 77 40 42 78 42 78 78 43 79 80 79 80 80 30 41 81 41 81 81 82 83 84 83 84 84 86 87 88 87 88 88 89 90 91 90 91 91 92 93 94 93 94 94 33 45 96 45 96 96 47 97 98 97 98 98 99 100 101 100 101 101 34 102 102 13 48 48 51 103 103 104 105 106 105 106 106 14 41 41 50 107 108 107 108 108 15 53 53 54 55 110 55 110 110 57 111 111 56 59 112 59 112 112 113 114 115 114 115 115 116 117 118 117 118 118 119 120 121 120 121 121 58 122 123 122 123 123 58 124 124 57 125 125 126 127 128 127 128 128 118.1852 115.8557 119.0488 115.6671 107.2164 106.9802 118.8547 120.1177 119.2444 108.3609 125.6941 109.292 106.7783 106.8862 111.141 113.6592 108.7748 116.0139 112.449 103.8414 109.212 107.4453 107.2852 103.8262 106.6487 110.1327 114.4797 111.7398 109.6962 108.1341 114.2421 105.5332 110.8481 110.8726 107.0964 109.594 112.4349 103.6817 116.1163 105.4859 108.5425 108.9299 111.2372 110.418 114.8025 103.1963 107.9415 113.1018 111.6113 107.6078 111.4999 108.2853 104.2098 106.9904 109.533 109.7731 108.6318 110.1118 111.6799 106.9748 112.7819 108.5121 112.2324 105.8184 110.1986 113.3566 113.7344 104.7875 112.5074 107.6522 103.8194 114.6407 108.9953 108.6874 110.7867 106.6008 106.8023 108.6118 106.3886 109.0943 112.1086 110.1557 110.3584 109.3582 106.1879 109.2226 113.6641 108.1023 110.2361 116.1742 113.8665 102.0367 116.4022 101.5928 103.7483 117.5856 109.2372 110.0295 106.7755 107.7368 104.6744 108.9054 110.3509 114.7152 107.7376 106.7725 108.0921 114.7784 113.835 104.5783 112.7041 102.5393 107.0517 117.5484 107.2402 111.9285 105.4315 107.6922 106.2501 109.5648 107.7918 109.0899 111.2465 109.6505 109.4528 111.4892 110.8572 109.572 108.0529 108.737 108.0387 107.8092 107.849 110.3961 110.385 109.8738 110.4706 108.5307 107.7936 109.9758 110.2023 110.9125 109.3679 110.7267 109.8958 110.4842 108.5266 108.8644 108.2803 109.9859 111.8927 104.0359 115.4581 106.7518 107.9259 111.05 110.0692 108.0257 114.0507 105.0589 108.2691 112.3573 110.545 111.7402 108.2406 107.0274 106.6727 123.2542 120.4017 116.2379 123.0608 111.659 125.2753 125.3299 115.67 118.9955 105.8162 112.372 111.5159 109.3583 109.08 108.618 117.938 121.558 120.5025 115.0453 109.4558 105.9145 108.9824 108.6608 108.5853 123.8104 110.8884 125.2949 113.0349 111.9812 104.4063 111.8897 107.6277 107.3583 127.1594 117.952 114.8248 103.7912 109.0812 109.5066 114.1051 109.6405 110.4599 109.7162 110.2903 109.3982 110.2185 109.668 107.5153 111.3591 110.283 111.4959 107.9324 107.6873 107.9342 110.5719 111.5819 111.0196 107.1624 108.1773 108.1739 114.6506 108.333 107.0379 110.4122 108.9485 107.1539 129.6313 113.8871 116.3799 127.4052 115.7314 116.7079 110.3761 111.2595 110.2919 108.4436 108.56 107.8214 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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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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 25 25 25 19 19 19 22 22 22 21 21 21 23 23 23 22 22 22 29 29 29 25 25 25 85 85 85 95 95 95 44 44 44 28 28 46 46 46 30 30 30 49 49 49 35 35 109 109 109 52 52 47 47 47 17 17 17 37 37 37 38 38 38 17 17 17 18 18 18 38 38 38 17 17 17 18 18 18 37 37 37 16 16 16 20 20 20 60 60 60 16 16 16 19 19 19 60 60 60 1 1 1 18 18 18 61 61 61 5 5 5 18 18 18 62 62 62 2 2 2 19 19 19 63 63 63 3 3 3 30 30 30 65 65 65 3 3 3 26 26 26 65 65 65 6 6 6 28 28 28 36 36 36 6 6 6 27 27 27 36 36 36 6 6 6 27 27 27 28 28 28 1 1 1 4 4 4 66 66 66 23 23 23 34 34 34 67 67 67 23 23 23 31 31 31 67 67 67 7 7 7 24 24 24 70 70 70 4 4 4 28 28 28 71 71 71 8 8 8 23 23 23 72 72 72 26 26 26 73 73 73 74 74 74 31 31 31 42 42 42 78 78 78 31 31 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166.0275 166.0628 -67.2229 48.4292 42.959 169.6733 -74.6745 56.1301 175.3263 -63.8955 175.2449 -65.5589 55.2193 -58.8897 60.3066 -178.9152 174.8532 -65.8 53.3599 54.1928 173.5396 -67.3004 -70.1972 49.1496 168.3096 -164.0507 80.0845 -45.3821 67.6305 -48.2342 -173.7008 -48.4306 -164.2953 70.2381 152.6478 -81.4045 37.4041 -77.0727 48.875 167.6836 39.0906 165.0383 -76.1531 -63.6883 167.5807 47.3597 50.5305 -78.2005 161.5785 177.0612 48.3302 -71.8909 67.2966 -56.9671 -171.4215 -55.1655 -179.4293 66.1163 -176.2305 59.5058 -54.9487 56.3482 174.4152 -63.2175 -176.3162 -58.2492 64.1182 -57.7559 60.311 -177.3216 -96.8971 33.2964 145.9983 136.3479 -93.4586 19.2433 22.2672 152.4607 -94.8374 -92.9391 45.4218 157.304 34.6248 172.9856 -75.1321 151.2147 -70.4244 41.4578 -72.1708 52.6373 168.688 45.9909 170.799 -73.1503 168.5812 -66.6107 49.44 -51.2151 66.0529 -170.6415 -167.7546 -50.4866 72.819 70.609 -172.123 -48.8174 -179.25 60.3257 -58.8281 -61.7129 177.8627 58.7089 59.0644 -61.3599 179.4863 72.6871 -51.172 -167.0091 -48.2273 -172.0864 72.0765 -165.8832 70.2577 -45.5794 -130.9661 107.2159 -7.1648 98.227 -23.591 -137.9717 -15.5509 -137.3689 108.2504 -57.6398 -176.0713 67.7754 72.9757 -45.4558 -161.6091 -170.9235 70.645 -45.5082 175.1255 -66.4119 56.31 56.535 174.9976 -62.2804 -66.6565 51.8061 174.5281 61.4698 -58.4143 -177.8399 -58.7992 -178.6832 61.8912 179.66 59.776 -59.6496 59.1734 -59.9119 178.8733 -80.1294 160.7853 39.5705 169.234 50.1487 -71.0661 77.408 -54.557 -171.0531 -159.5153 68.5197 -47.9764 -47.5399 -179.5048 63.999 152.6721 -79.5517 40.4016 -74.8272 52.949 172.9023 39.9247 167.7009 -72.3458 64.3343 -56.7022 -175.342 -68.6277 170.3358 51.696 179.3791 58.3426 -60.2972 142.8732 -40.8666 -97.7353 78.5249 15.3911 -168.3487 158.1421 -74.5914 43.4337 -81.718 45.5484 163.5736 39.6124 166.8788 -75.096 9.1075 -171.6887 -117.7107 61.4931 122.9804 -57.8158 109.4156 -70.1228 -15.6427 164.8189 -134.0389 46.4228 -105.5184 17.564 134.4497 75.2737 -161.644 -44.7583 178.4512 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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-31G(d,p) (6D, 7F) 128 128 128 1.00e+00 60 T 0.0505753 0.0382945 0.0288376 1 -2825.61593482 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=1111111111111111111111111111 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 387 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 387 vectors produced by pass 0 Test12= 2.23D-13 1.00D-09 XBig12= 3.60D+02 6.31D+00. AX will form 96 AO Fock derivatives at one time. 387 vectors produced by pass 1 Test12= 2.23D-13 1.00D-09 XBig12= 4.55D+01 8.78D-01. 385 vectors produced by pass 2 Test12= 2.23D-13 1.00D-09 XBig12= 3.27D-01 4.34D-02. 384 vectors produced by pass 3 Test12= 2.23D-13 1.00D-09 XBig12= 1.20D-03 1.89D-03. 384 vectors produced by pass 4 Test12= 2.23D-13 1.00D-09 XBig12= 1.88D-06 6.85D-05. 200 vectors produced by pass 5 Test12= 2.23D-13 1.00D-09 XBig12= 1.73D-09 2.11D-06. 6 vectors produced by pass 6 Test12= 2.23D-13 1.00D-09 XBig12= 1.40D-12 5.82D-08. 3 vectors produced by pass 7 Test12= 2.23D-13 1.00D-09 XBig12= 1.44D-15 2.14D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 2136 with 387 vectors. Isotropic polarizability for W= 0.000000 644.06 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 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2.12788 2.12928 2.13149 2.13365 2.13541 2.14016 2.14193 2.14417 2.14575 2.14751 2.15315 2.15834 2.16464 2.16804 2.17110 2.17197 2.17518 2.18423 2.18710 2.19132 2.19631 2.20213 2.20367 2.20648 2.21043 2.21750 2.22463 2.22764 2.23339 2.23720 2.23844 2.24072 2.24678 2.24890 2.25574 2.25852 2.25859 2.26535 2.26984 2.27419 2.28004 2.28214 2.28348 2.29229 2.29614 2.29961 2.30128 2.30421 2.31108 2.31342 2.31786 2.31929 2.32035 2.32634 2.32904 2.33238 2.33754 2.34313 2.34877 2.35176 2.35472 2.35835 2.36372 2.36744 2.37635 2.37956 2.38053 2.38314 2.38739 2.39022 2.39565 2.39864 2.40392 2.41075 2.41429 2.42039 2.42242 2.42949 2.43239 2.43686 2.44089 2.44570 2.45515 2.45807 2.46167 2.46560 2.46947 2.47382 2.47606 2.48107 2.48946 2.49406 2.49481 2.50957 2.51803 2.51956 2.52040 2.52977 2.53106 2.53706 2.53961 2.54494 2.54979 2.55489 2.55856 2.56474 2.56724 2.57309 2.57866 2.57997 2.58198 2.58635 2.59026 2.59262 2.59504 2.59770 2.60393 2.60987 2.61102 2.61419 2.62115 2.62319 2.62606 2.63148 2.63604 2.63625 2.63726 2.64286 2.64369 2.64538 2.64951 2.65353 2.65437 2.65811 2.65948 2.66611 2.67021 2.67196 2.67407 2.68035 2.68368 2.68586 2.69021 2.69089 2.69272 2.69911 2.70191 2.70568 2.70720 2.70889 2.71381 2.71875 2.72018 2.72061 2.72215 2.72462 2.73118 2.73372 2.73547 2.73708 2.74269 2.74872 2.75194 2.75393 2.75674 2.76147 2.76434 2.76769 2.76921 2.77230 2.77461 2.78075 2.78652 2.78844 2.79258 2.79540 2.80578 2.80596 2.80893 2.81078 2.82080 2.82290 2.82610 2.83289 2.83743 2.84265 2.84719 2.84811 2.84983 2.85049 2.85490 2.85744 2.86072 2.86930 2.87074 2.87273 2.87615 2.87850 2.88302 2.88526 2.88979 2.89117 2.89577 2.89760 2.89864 2.90266 2.90476 2.90906 2.91097 2.91393 2.91512 2.91730 2.92239 2.92383 2.93248 2.93634 2.94313 2.94356 2.94788 2.95057 2.95469 2.96189 2.96839 2.97035 2.97644 2.97852 2.98373 2.99151 2.99484 3.00220 3.00587 3.01361 3.02097 3.04066 3.04883 3.05240 3.05425 3.07464 3.07833 3.08720 3.09038 3.09677 3.10343 3.11032 3.12148 3.13110 3.13708 3.13969 3.16537 3.16717 3.18024 3.18783 3.19252 3.19838 3.20799 3.21160 3.21588 3.21892 3.21968 3.22443 3.23490 3.24189 3.24555 3.26443 3.28762 3.30878 3.31656 3.32446 3.33851 3.34500 3.35910 3.36167 3.36397 3.37365 3.38279 3.38713 3.39075 3.39931 3.40373 3.40537 3.41093 3.42080 3.42417 3.42997 3.43212 3.43560 3.43972 3.44133 3.44311 3.44583 3.44803 3.44970 3.45550 3.45691 3.46229 3.46641 3.46739 3.46877 3.47127 3.47620 3.47969 3.48375 3.48972 3.49629 3.50240 3.51009 3.51224 3.51320 3.52001 3.52214 3.52755 3.53525 3.53550 3.54317 3.54485 3.55422 3.55658 3.56606 3.57704 3.58750 3.63997 3.64597 3.95545 3.98585 4.03030 4.04637 4.05927 4.06876 4.07971 4.09135 4.13048 4.14867 4.16611 4.17195 4.18914 4.21301 4.24279 4.25052 4.26919 4.29919 4.31241 4.32467 4.33664 4.35296 4.37329 4.38828 4.39943 4.42323 4.42806 4.44717 4.45886 4.46753 4.48717 4.49424 4.50719 4.52004 4.52901 4.55874 4.56042 4.57732 4.59476 4.59933 4.60504 4.62798 4.64398 4.65424 4.68421 4.70228 4.74521 4.75110 4.75613 4.76560 4.78907 4.80394 4.80885 4.81048 4.85513 4.86994 4.89490 5.00260 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 O O O O O O O O O O O O O O O N H 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 -0.543061 -0.509719 -0.538746 -0.523042 -0.565637 -0.569134 -0.508341 -0.524718 -0.466997 -0.562797 -0.480698 -0.476462 -0.504874 -0.504471 -0.509074 -0.466923 0.364912 -0.005657 0.117428 0.133806 0.163156 0.411065 0.157247 0.231976 0.390447 -0.081044 -0.202184 0.142845 0.164005 0.137069 -0.200297 -0.363247 -0.091671 -0.274443 0.130919 -0.331772 -0.211633 -0.209244 -0.340701 0.134771 -0.275682 -0.337358 0.323268 0.625650 -0.073025 -0.071899 0.584598 -0.263327 0.615484 -0.063841 -0.114176 0.134647 -0.390245 -0.315444 -0.336612 -0.225434 -0.117836 -0.076414 -0.330126 0.187779 0.145700 0.140530 0.154535 0.096374 0.129296 0.123694 0.120438 0.129176 0.135258 0.131885 0.120100 0.120348 0.105093 0.110384 0.150588 0.142647 0.107265 0.110891 0.141648 0.123150 0.159077 0.119247 0.116554 0.120165 0.350939 0.188031 0.193372 0.186287 0.197659 0.189238 0.181355 0.121196 0.124476 0.126071 0.329504 0.115492 0.142206 0.156919 0.118882 0.116145 0.098943 0.092041 0.092269 0.118904 0.120714 0.113792 0.140414 0.134551 0.324086 0.107710 0.096803 0.130056 0.146125 0.158346 0.163136 0.104256 0.105093 0.110928 0.109552 0.108655 0.115230 0.115396 0.122588 0.104066 0.102210 0.126216 0.123399 0.129637 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 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 O O O O O O O O O O O O O O O N 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 -0.543061 -0.509719 -0.538746 -0.523042 -0.214698 -0.239631 -0.508341 -0.524718 -0.466997 -0.238711 -0.480698 -0.476462 -0.504874 -0.504471 -0.509074 -0.102011 0.182122 0.263129 0.274336 0.317691 0.507439 0.286543 0.231976 0.514141 0.039393 0.062250 0.274730 0.284105 0.257417 0.015180 0.037253 0.019220 -0.009645 0.289996 0.024194 0.356056 0.359009 0.031042 0.250263 0.023443 -0.003388 0.415308 0.625650 0.019243 0.281510 0.584598 0.011638 0.615484 0.043870 -0.017373 0.264703 0.077362 0.004832 -0.003175 0.012551 -0.013770 0.025796 0.049127 0.99999 647.645 -12.077 693.262 3.711 -19.071 591.284 680.844 -0.555 732.540 14.201 0.443 662.148 -5.6951 -0.0021 -0.0018 -0.0007 3.0252 3.7093 11.0643 15.5246 21.3889 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 10.9724 15.1995 21.3647 23.4784 27.5043 29.7178 30.1490 34.0407 38.4960 40.6730 43.4603 44.3929 51.2765 56.0904 58.2157 60.1234 62.3288 71.9647 74.1644 74.4916 77.0268 81.7106 87.7966 92.5223 92.9329 99.3067 102.6261 105.4834 115.5418 117.6185 126.3999 131.3258 141.2874 148.0281 156.9279 159.3547 165.9917 174.5639 175.7527 182.2481 188.3537 196.9577 206.2878 210.1975 213.3193 220.2080 222.0452 223.5208 230.4143 237.4042 238.6794 239.4472 242.6406 252.1513 254.6952 261.0787 262.4750 263.5483 266.8346 273.8899 276.8495 280.7671 284.7445 288.7778 291.4940 295.6402 297.5682 307.7801 312.9008 319.4532 321.5803 321.7505 333.5669 336.4470 347.8946 357.9643 360.7972 364.2149 369.6287 371.1043 374.2946 377.6526 388.0114 395.8589 405.9553 408.4254 420.2186 431.1283 447.0234 448.8308 455.1023 458.2985 462.1230 471.3791 480.3083 481.0724 499.7404 500.7961 515.1953 515.8812 535.6742 543.5479 554.8013 568.4547 577.2367 585.4594 597.3148 600.4207 605.2570 618.0587 628.5498 634.2777 658.0414 668.2124 681.2041 706.2259 711.0434 740.3291 752.3574 756.8633 757.3344 766.6715 782.4751 784.4283 801.5906 808.0491 812.2410 817.6906 829.5226 841.6948 851.8470 854.2601 859.8034 861.6521 872.5093 881.1895 893.7444 898.0489 904.2840 909.0426 916.9304 919.4179 923.6311 924.8777 927.5183 931.6293 940.5012 944.9904 949.6056 950.3959 964.0580 964.9535 969.1976 971.0991 973.3184 978.7206 984.7586 986.2391 992.1208 996.2256 997.3846 1006.5957 1007.8310 1016.1529 1022.6538 1025.5151 1028.5372 1032.1306 1034.0220 1048.8453 1055.3393 1058.5913 1063.2469 1065.9145 1070.8309 1073.6938 1077.0990 1078.7721 1081.2535 1085.4742 1095.3031 1096.5980 1098.9573 1104.1299 1108.1629 1115.2347 1121.3441 1121.9339 1129.5748 1132.7219 1140.1111 1142.9831 1150.0754 1152.9327 1158.9121 1168.6224 1171.1374 1173.7836 1179.2944 1190.1168 1193.4045 1196.4688 1201.0097 1202.3059 1207.4319 1209.2741 1224.3238 1227.1290 1242.1275 1248.4522 1250.7223 1259.9920 1262.6593 1270.5648 1275.3611 1278.6216 1290.1367 1290.9369 1294.0853 1297.3012 1307.2121 1313.0652 1317.5824 1318.8215 1323.8653 1328.7187 1331.7213 1335.3676 1339.6234 1344.2899 1349.3572 1353.6125 1358.7500 1366.2229 1367.3611 1368.3860 1371.6735 1372.4142 1376.2466 1377.7066 1380.0912 1384.9281 1386.4307 1389.8003 1390.7832 1395.3595 1395.6625 1398.3667 1402.6436 1403.3407 1407.7562 1413.3520 1413.8132 1414.9281 1417.4824 1420.1391 1420.4602 1421.0416 1423.3532 1424.5836 1426.2992 1426.6718 1430.3763 1430.9491 1433.3755 1438.5235 1440.1059 1445.9376 1449.1211 1451.9900 1457.3357 1463.5199 1470.0492 1472.9726 1477.2194 1477.6198 1485.9883 1487.4923 1489.4598 1490.2736 1491.9356 1492.7260 1494.5751 1496.1914 1496.4537 1497.1091 1497.2274 1500.6860 1502.5071 1502.6714 1503.1372 1504.2371 1505.5729 1506.1000 1508.6211 1511.6684 1512.0392 1513.2934 1514.3875 1516.5630 1516.9393 1530.8424 1707.2205 1717.5570 1776.9145 1786.1687 1787.1017 1791.1658 2978.1589 3003.7724 3021.9357 3025.6537 3030.7049 3030.8841 3035.7483 3036.8145 3041.1091 3041.4554 3043.1746 3048.1960 3052.2493 3054.9286 3054.9483 3058.4710 3059.6707 3061.9361 3066.5754 3066.8927 3070.0066 3072.0243 3095.0024 3097.3100 3099.4793 3101.0720 3102.0898 3102.8018 3103.8084 3105.0843 3110.2779 3112.0047 3113.2032 3113.8146 3116.6815 3117.0695 3117.3993 3119.9188 3120.7280 3123.0136 3123.4248 3128.8712 3131.0721 3131.0823 3132.0722 3132.0953 3133.3391 3134.4713 3135.5485 3137.4336 3139.2029 3139.4443 3141.7162 3147.5136 3149.4484 3150.0277 3150.5908 3151.5308 3161.4930 3163.0224 3184.0029 3191.9707 3203.9885 3207.3628 3219.3930 3224.1833 3460.0916 3642.9920 3788.7035 3796.4742 5.2409 5.1948 4.8111 5.1198 3.6379 5.3015 5.3742 5.8479 5.0490 5.4539 5.3034 4.3950 4.8848 4.7643 4.1340 2.6187 5.7971 3.6900 3.8237 3.5372 4.1910 2.3796 3.7074 3.3402 3.3150 2.8863 3.7566 3.3413 4.5098 4.3039 4.0392 3.5010 4.2845 4.2697 3.7204 3.9577 3.6148 3.5959 3.5852 3.2809 3.8563 3.9204 2.8654 2.4227 2.2462 2.2848 2.3396 2.4485 1.4048 2.2186 1.3757 1.1400 1.1057 1.8111 1.7313 2.8168 1.8894 1.1320 1.3212 1.2683 1.5848 2.4887 3.2537 3.7283 3.0060 2.9292 3.3321 3.4030 2.7830 3.7563 2.5153 1.9335 2.0369 3.1214 3.4883 3.4637 4.2255 3.2996 2.0746 2.5527 2.3685 2.3329 3.3236 2.6687 2.8245 3.2979 3.1524 3.0200 3.1525 3.0555 2.7967 3.3559 3.0674 3.0995 3.3592 3.0860 3.6964 3.3882 3.1932 2.4735 3.2828 3.0982 1.9845 1.7834 3.5095 3.5699 3.5659 3.1420 4.2821 3.9052 4.7681 4.8554 3.3368 3.5993 2.4474 4.3107 3.9179 3.7398 2.0950 4.0282 1.6955 2.7005 4.5233 4.2416 3.4036 3.7697 3.6032 3.6670 3.9560 2.9756 2.3852 2.3740 2.7703 3.1764 2.8393 2.4089 2.7594 2.5355 2.2568 3.1062 2.0523 2.0167 1.8795 2.6067 2.4325 3.0494 2.6342 2.6004 1.4056 2.4665 2.4405 2.2332 2.8526 1.7814 2.4503 1.9948 2.0921 3.3192 2.1531 2.8767 1.7262 1.4374 1.9090 1.2669 2.6035 3.8867 2.6515 2.5409 1.8177 2.3858 2.5408 1.3588 2.3173 1.8160 3.4479 3.4138 2.8292 2.3480 2.8219 2.3059 2.3690 2.3627 2.6127 2.0233 3.1232 2.4642 2.4394 1.5284 2.0676 2.0375 2.2653 1.8540 2.0415 2.1052 1.9052 2.7459 2.0994 2.1191 1.3532 2.4004 1.5607 1.9329 2.9892 2.5186 3.2626 2.0840 1.7350 1.1543 1.3023 1.3065 1.5907 1.7159 1.3688 2.9226 1.6931 1.3124 1.3544 1.3301 1.3826 1.5307 1.3961 1.4816 1.2697 1.2669 1.3970 1.5102 1.3905 1.2964 1.3391 1.3432 1.1879 1.4514 1.3072 1.3026 1.3061 1.3491 1.2989 1.3955 1.3781 1.3893 1.4931 1.3536 1.3370 1.2900 1.2976 1.2888 1.3043 1.3763 1.3041 1.3015 1.2768 1.3274 1.2946 1.4173 1.2342 1.2472 1.3519 1.2384 1.3485 1.2526 1.3522 1.3524 1.2410 1.3008 1.2601 1.2183 1.2434 1.2433 1.4677 1.1883 1.1427 1.0802 1.0548 1.0937 1.1113 1.0941 1.1126 1.1018 1.1106 1.0887 1.0803 1.1040 1.0455 1.0558 1.0849 1.0717 1.0532 1.0511 1.0537 1.0581 1.0568 1.0541 1.0617 1.0795 1.0515 1.0485 1.0470 1.0592 1.0510 1.0560 1.0505 1.0488 7.3875 5.5625 10.8152 10.9470 9.4341 11.5610 1.0846 1.0826 1.0690 1.0831 1.0819 1.0830 1.0804 1.0374 1.0428 1.0659 1.0361 1.0321 1.0832 1.0370 1.0358 1.0375 1.0663 1.0377 1.0820 1.0625 1.0371 1.0639 1.0811 1.0966 1.0990 1.0666 1.0856 1.0665 1.1011 1.0373 1.1027 1.0602 1.0768 1.0989 1.0872 1.1033 1.0932 1.1019 1.1024 1.0869 1.1064 1.0853 1.1038 1.1028 1.0978 1.1018 1.1029 1.1033 1.1020 1.1061 1.1003 1.0866 1.1021 1.1021 1.0868 1.0859 1.0894 1.0858 1.0920 1.1019 1.1046 1.0870 1.1098 1.1088 1.1081 1.1076 1.0775 1.0662 1.0657 1.0661 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