Gaussian 16 GINC-SANTANA SGERVASONI NEW-compound opt 6-31G** ES64L-G16RevA.03 26-Nov-2025 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 161 161 (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 954.5624000000014 1 1 AuxInfo=1/0/N: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;20;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;21;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/rA:161nO0O0O0O0O0O0O0O0O0O0O0O0O0O0O0O0O0O0O0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.8,-2.754,-.171;-2.714,-5.059,-2.004;.436,-2.194,-.53;-4.033,-3.158,-2.548;-.111,-4.401,-2.078;-5.758,-4.792,-.123;-6.376,-2.287,-.711;2.862,-3.874,.715;4.405,.13,-.112;-2.128,.233,3.925;-1.57,3.89,-.886;4.413,4.959,-1.061;4.023,-.44,-2.321;3.972,5.998,1.033;-8.094,-2.747,.714;6.93,6.46,1.237;2.182,-4.805,2.667;6.903,8.497,-.958;4.194,9.539,-.216;-.927,-6.313,1.099;-.734,-5.557,1.833;-1.196,-5.65,-.256;-2.631,-5.086,-.542;-.16,-4.55,-.643;-.439,-3.199,.051;-2.845,-3.706,.151;.933,-1.118,.328;-.165,-.109,.826;2.019,-1.621,1.336;-6.223,-4.663,-1.484;-3.916,-4.597,-2.682;-5.204,-5.406,-2.381;-6.412,-3.152,-1.888;-5.348,-2.667,-2.91;-1.002,.413,-.386;3.195,-2.454,.697;-3.138,-3.726,1.658;-1.01,-.63,2.021;2.532,-.514,2.281;-7.57,-5.408,-1.526;-1.964,1.626,-.271;.304,-7.186,1.073;-2.066,-7.158,1.604;3.599,-2.174,-.772;-5.264,-1.146,-3.047;-3.177,1.443,.647;-1.152,.308,3.188;-1.327,2.993,-.087;4.044,-.789,-1.143;-7.67,-2.024,-.179;5.163,1.306,-.526;-8.516,-.921,-.761;3.134,-4.499,1.959;4.191,2.445,-.967;-.407,3.287,1.034;6.216,6.306,-.031;5.755,7.666,-.583;-8.317,.44,-.064;5.002,5.386,.201;4.921,3.688,-1.555;4.686,8.298,.339;6.109,1.665,.642;3.518,7.318,.605;3.128,2.785,.076;.943,3.379,1.007;4.494,-5.068,2.206;1.846,3.173,-.175;-9.366,1.45,-.55;-6.904,1.005,-.276;7.099,.545,.966;2.476,7.215,-.518;1.385,3.526,-1.574;8.288,5.953,1.181;7.412,9.392,.065;-1.06,-6.462,-1.013;-3.409,-5.796,-.191;.864,-4.854,-.356;-.25,-3.321,1.137;-3.781,-3.27,-.248;1.523,-.478,-.368;.413,.767,1.181;1.515,-2.313,2.041;-3.692,-4.777,-3.762;-5.699,-5.614,-3.36;-4.941,-6.396,-1.944;-7.38,-3.031,-2.436;-5.621,-3.053,-3.923;-.289,.679,-1.201;-1.605,-.429,-.787;4.134,-2.283,1.281;-2.246,-3.981,2.263;-3.487,-2.719,1.98;-3.958,-4.443,1.885;-.554,-1.532,2.475;-2.021,-.926,1.67;3.386,-.87,2.9;2.847,.385,1.717;1.732,-.204,2.989;-7.44,-6.469,-1.208;-7.999,-5.399,-2.554;-8.302,-4.93,-.837;-2.422,1.669,-1.29;-.76,-3.617,-2.288;.199,-8.011,.328;1.228,-6.62,.828;.492,-7.647,2.072;-2.941,-6.537,1.895;-1.787,-7.727,2.523;-2.394,-7.892,.829;2.767,-2.467,-1.451;4.458,-2.84,-1.018;-6.259,-.722,-3.309;-4.905,-.685,-2.099;-4.543,-.883,-3.855;-6.382,-4.173,.426;-3.62,.429,.515;-3.96,2.193,.391;-2.907,1.595,1.711;-.45,1.131,3.286;5.82,1.064,-1.398;-9.582,-1.233,-.669;-8.293,-.819,-1.847;3.625,1.998,-1.816;-.899,3.427,1.994;6.851,5.838,-.823;5.24,7.461,-1.55;5.37,4.512,.786;-8.473,.301,1.033;6.027,3.632,-1.441;4.757,3.694,-2.658;5.158,8.517,1.324;5.522,1.881,1.562;6.711,2.567,.399;2.96,7.744,1.472;3.401,2.6,1.111;1.431,3.586,1.96;5.004,-5.265,1.235;5.095,-4.336,2.792;4.42,-6.022,2.776;-9.265,1.627,-1.646;-9.245,2.422,-.02;-10.394,1.072,-.343;-6.795,1.982,.249;-6.699,1.159,-1.36;-6.14,.31,.14;1.954,8.191,-.65;1.716,6.447,-.251;2.938,6.937,-1.489;7.774,.871,1.789;7.719,.305,.072;6.56,-.373,1.293;2.22,3.795,-2.255;.732,4.423,-1.539;.829,2.672,-2.018;3.747,10.03,.576;8.292,4.861,.958;8.881,6.501,.412;8.769,6.11,2.172;6.735,10.268,.186;7.546,8.882,1.044;8.406,9.771,-.261; g16 /usr/local/g16/l1.exe "/home/sgervasoni/tylvalosin_+1/geom/Gau-125995.inp" -scrdir="/home/sgervasoni/tylvalosin_+1/geom/" NProcShared=48 Mem=54Gb Chk=mol #N B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight) 1/7=10,18=20,19=15,26=6,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=1,6=6,7=101,11=2,25=1,30=1,70=2201,71=1,72=1,74=-5,75=-5/1,2,3 4//1 5/5=2,6=8,8=3,13=1,38=5,53=1/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7/30=1/1,2,3,16 1/7=10,18=20,19=15,26=6/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=1,6=6,7=101,11=2,25=1,30=1,70=2205,71=1,72=1,74=-5,75=-5/1,2,3 4/5=5,16=3,69=1/1 5/5=2,6=8,8=3,13=1,38=5,53=1/2,8 7/30=1/1,2,3,16 1/7=10,18=20,19=15,26=6/3(-5) 2/9=110,15=1/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 NEW-compound opt 6-31G** Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 R106 R107 R108 R109 R110 R111 R112 R113 R114 R115 R116 R117 R118 R119 R120 R121 R122 R123 R124 R125 R126 R127 R128 R129 R130 R131 R132 R133 R134 R135 R136 R137 R138 R139 R140 R141 R142 R143 R144 R145 R146 R147 R148 R149 R150 R151 R152 R153 R154 R155 R156 R157 R158 R159 R160 R161 R162 R163 R164 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 11 12 12 13 14 14 15 16 16 17 18 18 19 19 20 20 20 20 22 22 22 23 23 24 24 25 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 32 32 33 33 34 34 35 35 35 36 36 37 37 37 38 38 38 39 39 39 40 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 45 46 46 46 47 48 50 51 51 51 52 52 52 53 54 54 54 55 55 56 56 56 57 57 58 58 58 59 60 60 61 61 62 62 62 63 63 64 64 65 65 66 66 66 67 68 68 68 69 69 69 70 70 70 71 71 71 72 72 72 73 73 73 74 74 74 25 26 23 31 25 27 31 34 24 103 30 115 33 50 36 53 49 51 47 48 59 60 49 59 63 50 56 73 53 57 74 61 155 21 22 42 43 23 24 75 26 76 25 77 78 37 79 28 29 80 35 38 81 36 39 82 32 33 40 32 83 84 85 34 86 45 87 41 88 89 44 90 91 92 93 47 94 95 96 97 98 99 100 101 46 48 102 104 105 106 107 108 109 49 110 111 112 113 114 116 117 118 119 55 52 54 62 120 58 121 122 66 60 64 123 65 124 57 59 125 61 126 68 69 128 127 129 130 63 131 70 132 133 71 134 67 135 67 136 137 138 139 72 140 141 142 143 144 145 149 150 151 146 147 148 152 153 154 156 157 158 159 160 161 1.449 1.4498 1.4646 1.4553 1.4537 1.4632 1.45 1.4496 1.4435 1.0392 1.444 1.0363 1.4611 1.4236 1.4586 1.4185 1.4275 1.4591 1.2253 1.2256 1.4567 1.4552 1.2288 1.4587 1.46 1.2247 1.4633 1.4506 1.2252 1.466 1.4514 1.4457 1.0335 1.0712 1.5323 1.5094 1.5054 1.5682 1.5598 1.1184 1.559 1.1102 1.5442 1.1061 1.1091 1.5353 1.107 1.5722 1.5648 1.1145 1.5627 1.5535 1.1079 1.5764 1.5433 1.109 1.5476 1.5755 1.5399 1.5505 1.1176 1.1166 1.1137 1.553 1.1189 1.5295 1.1179 1.5524 1.1151 1.1106 1.5491 1.1189 1.1076 1.1133 1.1127 1.504 1.108 1.1104 1.1132 1.107 1.1124 1.1152 1.114 1.1131 1.5322 1.5193 1.118 1.1165 1.1109 1.1162 1.1117 1.1163 1.1167 1.5013 1.1132 1.1144 1.1129 1.1136 1.1144 1.1144 1.1141 1.1082 1.0862 1.4797 1.507 1.561 1.5453 1.1183 1.542 1.1145 1.1133 1.4948 1.5568 1.5276 1.114 1.3534 1.0878 1.5384 1.5408 1.1178 1.5467 1.1146 1.5352 1.5365 1.1167 1.1142 1.1133 1.1151 1.5477 1.114 1.5295 1.1125 1.1113 1.5354 1.1156 1.3627 1.0863 1.5017 1.0905 1.1143 1.1137 1.1138 1.5147 1.1148 1.1137 1.1147 1.1145 1.1139 1.1135 1.1132 1.1141 1.1136 1.1147 1.113 1.1107 1.1106 1.1101 1.1116 1.1145 1.115 1.1127 1.1137 1.112 1.1126 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 A295 A296 A297 A298 A299 A300 A301 A302 A303 A304 A305 A306 A307 A308 A309 A310 A311 25 23 25 31 24 30 33 36 49 59 59 56 57 61 21 21 21 22 22 42 20 20 20 23 23 24 2 2 2 22 22 26 5 5 5 22 22 25 1 1 1 3 3 24 1 1 1 23 23 37 3 3 3 28 28 29 27 27 27 35 35 38 27 27 27 36 36 39 6 6 6 32 32 33 2 2 2 4 4 32 30 30 30 31 31 84 7 7 7 30 30 34 4 4 4 33 33 45 28 28 28 41 41 88 8 8 8 29 29 44 26 26 26 91 91 92 28 28 28 47 47 94 29 29 29 96 96 97 30 30 30 99 99 100 35 35 35 46 46 48 20 20 20 104 104 105 20 20 20 107 107 108 36 36 36 49 49 110 34 34 34 112 112 113 41 41 41 116 116 117 10 10 38 11 11 41 9 9 13 7 7 15 9 9 9 54 54 62 50 50 50 58 58 121 8 8 17 51 51 51 60 60 64 48 48 65 16 16 16 57 57 59 18 18 18 56 56 61 52 52 52 68 68 69 12 12 12 14 14 56 12 12 12 54 54 129 19 19 19 57 57 63 51 51 51 70 70 132 14 14 14 61 61 71 54 54 67 55 55 67 53 53 53 137 137 138 64 64 65 58 58 58 140 140 141 58 58 58 143 143 144 62 62 62 149 149 150 63 63 63 146 146 147 67 67 67 152 152 153 16 16 16 156 156 157 18 18 18 159 159 160 1 2 3 4 5 6 7 8 9 12 14 16 18 19 20 20 20 20 20 20 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 30 30 30 30 30 30 31 31 31 31 31 31 32 32 32 32 32 32 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 35 35 35 36 36 36 36 36 36 37 37 37 37 37 37 38 38 38 38 38 38 39 39 39 39 39 39 40 40 40 40 40 40 41 41 41 41 41 41 42 42 42 42 42 42 43 43 43 43 43 43 44 44 44 44 44 44 45 45 45 45 45 45 46 46 46 46 46 46 47 47 47 48 48 48 49 49 49 50 50 50 51 51 51 51 51 51 52 52 52 52 52 52 53 53 53 54 54 54 54 54 54 55 55 55 56 56 56 56 56 56 57 57 57 57 57 57 58 58 58 58 58 58 59 59 59 59 59 59 60 60 60 60 60 60 61 61 61 61 61 61 62 62 62 62 62 62 63 63 63 63 63 63 64 64 64 65 65 65 66 66 66 66 66 66 67 67 67 68 68 68 68 68 68 69 69 69 69 69 69 70 70 70 70 70 70 71 71 71 71 71 71 72 72 72 72 72 72 73 73 73 73 73 73 74 74 74 74 74 74 26 31 27 34 103 115 50 53 51 60 63 73 74 155 22 42 43 42 43 43 23 24 75 24 75 75 22 26 76 26 76 76 22 25 77 25 77 77 3 24 78 24 78 78 23 37 79 37 79 79 28 29 80 29 80 80 35 38 81 38 81 81 36 39 82 39 82 82 32 33 40 33 40 40 4 32 83 32 83 83 31 84 85 84 85 85 30 34 86 34 86 86 33 45 87 45 87 87 41 88 89 88 89 89 29 44 90 44 90 90 91 92 93 92 93 93 47 94 95 94 95 95 96 97 98 97 98 98 99 100 101 100 101 101 46 48 102 48 102 102 104 105 106 105 106 106 107 108 109 108 109 109 49 110 111 110 111 111 112 113 114 113 114 114 116 117 118 117 118 118 38 119 119 41 55 55 13 44 44 15 52 52 54 62 120 62 120 120 58 121 122 121 122 122 17 66 66 60 64 123 64 123 123 65 124 124 57 59 125 59 125 125 56 61 126 61 126 126 68 69 128 69 128 128 14 56 127 56 127 127 54 129 130 129 130 130 57 63 131 63 131 131 70 132 133 132 133 133 61 71 134 71 134 134 67 135 135 67 136 136 137 138 139 138 139 139 65 72 72 140 141 142 141 142 142 143 144 145 144 145 145 149 150 151 150 151 151 146 147 148 147 148 148 152 153 154 153 154 154 156 157 158 157 158 158 159 160 161 160 161 161 116.1877 121.1788 118.5866 112.7229 104.9248 104.5988 112.8307 113.3272 116.4437 114.1411 115.5749 112.7392 116.3512 105.1179 109.4012 105.8459 107.613 112.2224 113.9961 107.3486 118.5248 114.0747 105.2506 107.9927 104.4153 105.266 103.9187 114.8113 106.7184 111.2788 110.7072 109.23 109.9969 111.2589 104.7669 112.6723 110.8975 106.9245 106.9663 111.686 110.1129 108.4493 111.3977 108.2427 112.5553 111.352 105.7102 116.8063 107.7275 101.3941 114.8648 112.1538 103.6451 119.1416 101.478 102.6782 110.0465 114.0979 104.1575 114.6631 105.2973 107.605 115.2444 113.2402 107.1385 112.2881 105.4847 102.0867 106.94 111.4692 105.3177 113.0055 109.1407 110.6146 109.7947 115.4694 103.5055 115.6489 105.3865 105.6683 114.1415 107.8022 110.7843 107.1727 110.1106 106.4481 110.9939 109.1688 110.5988 112.7111 109.4566 103.6886 110.5724 108.0222 109.3215 114.0256 108.7345 105.9992 122.3749 107.7027 108.5182 105.3067 106.4206 105.3157 109.8221 104.3125 109.5068 118.9101 109.4941 104.3866 112.6723 109.3852 110.4435 107.6209 109.4952 107.0272 116.0442 111.3672 109.9673 103.2173 109.0006 106.6922 111.4761 111.4158 110.5228 108.9477 106.6745 107.6134 110.5201 110.9859 110.5243 108.4041 107.9809 108.3303 116.2088 116.884 102.4968 111.5202 103.0828 104.3314 111.233 112.7968 111.1515 107.9097 107.93 105.5285 111.7003 111.9107 110.9999 105.4229 108.5206 108.0426 118.5814 109.63 107.5981 108.2783 105.5631 106.5089 110.541 110.6791 109.5832 109.3254 108.5331 108.1173 110.6356 109.7756 111.4682 107.8155 109.5958 107.4292 120.2486 120.4591 118.7877 119.7646 118.1483 122.0867 120.9208 119.3657 119.5944 118.5617 120.0774 121.2867 110.1684 106.9063 110.6121 115.1644 107.6643 106.2593 113.5153 107.4676 109.3493 109.4635 109.524 107.3221 117.8924 119.1499 121.0898 113.4104 113.7554 103.8219 113.9837 105.71 104.8398 128.2127 114.3905 117.3883 111.3513 108.47 112.3852 110.2285 106.6254 107.7151 110.9917 117.5225 104.1321 110.7589 106.6876 105.8415 110.4512 112.3882 108.4297 110.0472 107.303 108.0461 109.3677 111.2949 111.0062 113.0622 105.2393 106.6898 113.9197 110.8542 106.2448 112.7682 107.9939 104.3393 110.923 110.6515 108.3533 111.4266 108.335 106.9938 112.7198 110.3131 110.7871 107.9699 106.8595 108.0025 112.8415 111.3941 105.8398 115.3992 105.6197 104.7493 126.3178 115.9617 117.4137 127.3155 116.2216 116.4119 109.8593 109.1307 110.4976 109.1291 108.9611 109.241 117.3733 121.5195 120.7983 110.7198 110.445 110.3825 108.63 108.6612 107.926 110.3232 110.7542 110.4834 108.6164 107.703 108.8806 109.5504 110.3625 110.6429 108.596 108.5297 109.1106 110.2236 109.5266 111.9578 108.2297 108.0852 108.727 113.2023 109.7692 110.0054 105.4203 108.4961 109.8265 110.7025 110.6534 108.7223 109.9758 108.3543 108.3603 110.3908 112.3325 108.4714 109.7764 107.8766 107.8503 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate 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D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 D432 D433 D434 D435 D436 D437 D438 D439 D440 D441 D442 D443 D444 D445 26 26 26 25 25 25 31 31 31 23 23 23 27 27 27 25 25 25 34 34 34 31 31 31 103 103 103 115 115 115 50 50 50 33 33 53 53 53 36 36 51 51 49 49 49 60 60 60 59 59 59 63 63 63 59 59 59 73 73 73 56 56 56 74 74 74 57 57 57 155 155 155 21 21 21 42 42 42 43 43 43 21 21 21 22 22 22 43 43 43 21 21 21 22 22 22 42 42 42 20 20 20 24 24 24 75 75 75 20 20 20 23 23 23 75 75 75 2 2 2 22 22 22 76 76 76 5 5 5 22 22 22 77 77 77 1 1 1 23 23 23 79 79 79 3 3 3 29 29 29 80 80 80 3 3 3 28 28 28 80 80 80 27 27 27 38 38 38 81 81 81 27 27 27 35 35 35 81 81 81 27 27 27 39 39 39 82 82 82 27 27 27 36 36 36 82 82 82 6 6 6 33 33 33 40 40 40 6 6 6 32 32 32 40 40 40 6 6 6 32 32 32 33 33 33 2 2 2 4 4 4 83 83 83 7 7 7 30 30 30 86 86 86 4 4 4 33 33 33 87 87 87 28 28 28 88 88 88 89 89 89 8 8 8 29 29 29 90 90 90 28 28 94 94 95 95 35 35 35 48 48 48 102 102 102 35 35 46 46 102 102 36 36 110 110 111 111 11 11 41 41 7 7 7 15 15 15 9 9 9 62 62 62 120 120 120 9 9 9 54 54 54 120 120 120 50 50 50 121 121 121 122 122 122 8 8 8 17 17 17 51 51 51 64 64 64 123 123 123 51 51 60 60 123 123 48 48 124 124 16 16 16 59 59 59 125 125 125 16 16 16 57 57 57 125 125 125 18 18 18 56 56 56 126 126 126 52 52 52 69 69 69 128 128 128 52 52 52 68 68 68 128 128 128 19 19 19 57 57 57 131 131 131 51 51 51 132 132 132 133 133 133 14 14 14 61 61 61 134 134 134 54 54 135 135 55 55 136 136 64 64 64 65 65 65 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 9 9 9 9 9 12 12 12 12 12 12 14 14 14 14 14 14 16 16 16 16 16 16 18 18 18 18 18 18 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 26 26 26 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 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 34 34 34 34 34 34 34 34 34 35 35 35 35 35 35 35 35 35 36 36 36 36 36 36 36 36 36 38 38 38 38 38 38 41 41 41 41 41 41 41 41 41 41 41 41 41 41 41 44 44 44 44 44 44 48 48 48 48 50 50 50 50 50 50 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 52 52 52 52 52 52 52 52 52 53 53 53 53 53 53 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 55 55 55 55 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 57 57 57 57 57 57 57 57 57 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 61 61 61 61 61 61 61 61 61 62 62 62 62 62 62 62 62 62 63 63 63 63 63 63 63 63 63 64 64 64 64 65 65 65 65 67 67 67 67 67 67 25 25 25 26 26 26 23 23 23 31 31 31 25 25 25 27 27 27 31 31 31 34 34 34 24 24 24 30 30 30 33 33 33 50 50 36 36 36 53 53 49 49 51 51 51 59 59 59 60 60 60 59 59 59 63 63 63 56 56 56 73 73 73 57 57 57 74 74 74 61 61 61 22 22 22 22 22 22 22 22 22 42 42 42 42 42 42 42 42 42 43 43 43 43 43 43 43 43 43 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 26 26 26 25 25 25 25 25 25 25 25 25 37 37 37 37 37 37 37 37 37 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 35 35 35 35 35 35 35 35 35 38 38 38 38 38 38 38 38 38 36 36 36 36 36 36 36 36 36 39 39 39 39 39 39 39 39 39 32 32 32 32 32 32 32 32 32 33 33 33 33 33 33 33 33 33 40 40 40 40 40 40 40 40 40 32 32 32 32 32 32 32 32 32 34 34 34 34 34 34 34 34 34 45 45 45 45 45 45 45 45 45 41 41 41 41 41 41 41 41 41 44 44 44 44 44 44 44 44 44 47 47 47 47 47 47 46 46 46 46 46 46 46 46 46 48 48 48 48 48 48 49 49 49 49 49 49 55 55 55 55 52 52 52 52 52 52 54 54 54 54 54 54 54 54 54 62 62 62 62 62 62 62 62 62 58 58 58 58 58 58 58 58 58 66 66 66 66 66 66 60 60 60 60 60 60 60 60 60 64 64 64 64 64 64 65 65 65 65 57 57 57 57 57 57 57 57 57 59 59 59 59 59 59 59 59 59 61 61 61 61 61 61 61 61 61 68 68 68 68 68 68 68 68 68 69 69 69 69 69 69 69 69 69 63 63 63 63 63 63 63 63 63 70 70 70 70 70 70 70 70 70 71 71 71 71 71 71 71 71 71 67 67 67 67 67 67 67 67 72 72 72 72 72 72 3 24 78 23 37 79 22 26 76 4 32 83 1 24 78 28 29 80 2 32 83 33 45 87 22 25 77 32 33 40 30 34 86 15 52 29 44 90 17 66 13 44 54 62 120 14 56 127 54 129 130 12 56 127 61 71 134 57 59 125 156 157 158 56 61 126 159 160 161 57 63 131 23 24 75 23 24 75 23 24 75 104 105 106 104 105 106 104 105 106 107 108 109 107 108 109 107 108 109 2 26 76 2 26 76 2 26 76 5 25 77 5 25 77 5 25 77 1 37 79 1 37 79 1 37 79 1 3 78 1 3 78 1 3 78 91 92 93 91 92 93 91 92 93 35 38 81 35 38 81 35 38 81 36 39 82 36 39 82 36 39 82 41 88 89 41 88 89 41 88 89 47 94 95 47 94 95 47 94 95 8 44 90 8 44 90 8 44 90 96 97 98 96 97 98 96 97 98 31 84 85 31 84 85 31 84 85 7 34 86 7 34 86 7 34 86 99 100 101 99 100 101 99 100 101 30 84 85 30 84 85 30 84 85 4 45 87 4 45 87 4 45 87 112 113 114 112 113 114 112 113 114 46 48 102 46 48 102 46 48 102 49 110 111 49 110 111 49 110 111 10 119 10 119 10 119 116 117 118 116 117 118 116 117 118 11 55 11 55 11 55 9 13 9 13 9 13 65 124 65 124 58 121 122 58 121 122 60 64 123 60 64 123 60 64 123 70 132 133 70 132 133 70 132 133 68 69 128 68 69 128 68 69 128 137 138 139 137 138 139 12 129 130 12 129 130 12 129 130 67 135 67 135 67 135 67 136 67 136 18 61 126 18 61 126 18 61 126 12 14 127 12 14 127 12 14 127 19 63 131 19 63 131 19 63 131 140 141 142 140 141 142 140 141 142 143 144 145 143 144 145 143 144 145 14 71 134 14 71 134 14 71 134 149 150 151 149 150 151 149 150 151 146 147 148 146 147 148 146 147 148 65 72 65 72 64 72 64 72 152 153 154 152 153 154 171.0247 52.5096 -67.7814 -52.7208 80.6477 -170.0649 179.6267 -58.6057 62.5744 72.303 -60.6186 -175.5827 92.9628 -146.4368 -27.4139 -67.5318 72.6603 -177.2987 -166.0549 -33.2258 83.0611 67.5646 -167.0252 -52.1138 95.01 -30.5618 -145.7498 172.0657 48.093 -71.9062 -93.4238 141.7417 28.2696 93.1041 -83.8035 -82.4238 149.0913 37.8426 107.3783 -88.0008 -20.2002 163.7832 86.9101 -147.2803 -32.0053 -141.2045 93.1568 -25.5188 85.2278 -43.2356 -156.0063 -72.3624 52.2522 168.3243 -50.1356 81.538 -165.1724 -120.4174 118.1175 -0.8637 -61.5207 60.6701 179.5638 -91.9263 36.977 153.6317 -75.3378 47.546 166.6639 -161.8198 73.9824 -43.0256 -81.4913 47.4047 162.2853 161.3409 -69.7631 45.1174 39.0344 167.9304 -77.1891 -179.8564 -58.4456 59.8482 -60.5835 60.8272 179.1211 65.4226 -173.1666 -54.8728 52.1289 -65.8129 173.3911 -69.392 172.6662 51.8702 165.6639 47.7222 -73.0739 -157.1302 78.7814 -42.8928 71.2117 -52.8767 -174.5509 -40.4621 -164.5504 73.7753 155.1064 -80.1309 39.6842 -70.8632 53.8994 173.7146 40.2349 164.9976 -75.1873 -65.0262 164.3125 51.1152 52.6479 -78.0134 168.7894 175.1778 44.5165 -68.6808 70.7087 -46.9185 -167.9107 -53.3606 -170.9878 68.02 -175.4462 66.9267 -54.0655 -58.5542 61.1007 178.6461 72.6662 -167.6789 -50.1335 -170.6005 -50.9456 66.5997 -51.1018 79.4253 -163.5398 171.6548 -57.818 59.2168 59.9626 -169.5103 -52.4754 50.4252 -178.365 -66.594 -171.2611 -40.0513 71.7197 -60.2254 70.9844 -177.2447 -167.3609 -45.3231 68.2126 62.4132 -175.5491 -62.0133 -55.662 66.3758 179.9115 130.5086 12.8332 -105.2207 -101.279 141.0456 22.9916 15.4824 -102.193 139.7531 -91.2003 28.7505 148.5256 137.1373 -102.9119 16.8631 26.7492 146.7001 -93.5249 -173.1607 -51.2148 68.3813 -40.5015 81.4444 -158.9595 72.009 -166.0451 -46.449 -79.6331 161.4368 45.3353 43.3904 -75.5396 168.3589 166.9119 47.9819 -68.1197 -13.3353 109.4757 -135.6942 -133.8083 -10.9973 103.8327 103.4874 -133.7016 -18.8716 -57.6093 -177.9157 61.8678 56.9002 -63.4062 176.3773 -178.1716 61.5219 -58.6945 107.6899 -133.0238 -17.6353 -22.4625 96.8237 -147.7877 -138.5902 -19.304 96.0846 80.9978 -40.9477 -158.9711 -42.8283 -164.7738 77.2028 -161.0957 76.9589 -41.0646 -179.0778 -57.8013 61.3465 -55.7383 65.5382 -175.314 63.8414 -174.8821 -55.7344 -65.2668 69.8031 -176.8297 171.5849 -53.3452 60.022 60.1061 -164.824 -51.4568 -178.4051 56.5996 -58.8452 58.8648 -66.1305 178.4246 -63.4938 171.5109 56.066 153.613 -18.2778 -84.2914 103.8178 28.845 -143.0458 -41.4788 -160.3482 80.7426 -178.8599 62.2708 -56.6385 69.7445 -49.1249 -168.0341 123.0238 -56.7696 -99.9071 80.2995 10.6951 -169.0983 15.58 -160.4902 141.2304 -34.8398 -105.0259 78.904 -76.9186 104.1759 102.878 -76.0275 -91.0621 147.748 31.5595 92.1162 -29.0737 -145.2622 -174.3927 53.1925 -60.1643 64.6199 -67.7949 178.8484 -53.6914 173.8937 60.537 61.1123 -59.6614 -179.2006 -176.1404 63.0859 -56.4533 -57.0464 -177.8201 62.6407 -170.7524 65.9291 -53.4388 -50.6883 -174.0068 66.6252 66.7224 -56.596 -175.964 -21.5492 98.0595 -141.8042 142.5656 -97.8256 22.3106 -135.4401 -7.9581 106.7961 -3.136 124.3459 -120.8998 111.4674 -121.0506 -6.2964 -145.3951 28.0427 82.4668 -104.0954 -32.6495 140.7883 -1.4659 -178.7574 177.4115 0.1199 66.2277 -66.2068 179.06 -173.3371 54.2284 -60.5048 -56.6919 170.8737 56.1405 -167.8087 68.632 -46.5755 70.039 -53.5203 -168.7278 -45.9252 -169.4845 75.308 54.3061 178.0615 -64.4991 -176.6807 -52.9253 64.5141 -61.4181 62.3373 179.7767 -61.6473 177.9868 58.7166 63.0191 -57.3468 -176.617 -179.6539 59.9803 -59.29 -179.4608 60.2478 -60.4805 56.995 -63.2964 175.9753 -59.8693 179.8394 59.111 173.9129 44.2571 -70.918 50.0037 -79.6521 165.1729 -68.2443 162.0999 46.9248 178.144 58.6219 -62.2419 -59.7519 -179.2739 59.8623 56.2113 -63.3108 175.8254 165.497 46.5257 -74.1565 -64.1463 176.8824 56.2002 51.5258 -67.4455 171.8723 176.417 -9.9193 3.0637 176.7274 -154.3449 31.9432 22.9422 -150.7697 -21.0189 -138.5013 100.5405 152.4296 34.9472 -86.0111 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate 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D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate 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D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 161 1.00e+00 60 T Berny optimization. local minimum Step number 92 out of a maximum of 930 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00060 0.00093 0.00105 0.00149 0.00206 0.00240 0.00241 0.00245 0.00262 0.00276 0.00288 0.00293 0.00299 0.00309 0.00318 0.00348 0.00371 0.00377 0.00384 0.00408 0.00431 0.00454 0.00470 0.00487 0.00548 0.00567 0.00599 0.00616 0.00669 0.00720 0.00730 0.00788 0.00816 0.00860 0.00918 0.00996 0.01009 0.01048 0.01104 0.01124 0.01156 0.01195 0.01227 0.01270 0.01322 0.01350 0.01398 0.01418 0.01492 0.01548 0.01650 0.01713 0.01793 0.01843 0.01876 0.01999 0.02221 0.02518 0.02660 0.02739 0.02894 0.02965 0.03017 0.03138 0.03185 0.03238 0.03335 0.03392 0.03430 0.03451 0.03506 0.03517 0.03579 0.03625 0.03735 0.03745 0.03801 0.03924 0.03947 0.04027 0.04163 0.04171 0.04251 0.04279 0.04323 0.04421 0.04469 0.04521 0.04551 0.04590 0.04597 0.04637 0.04674 0.04696 0.04706 0.04756 0.04784 0.04798 0.04823 0.04880 0.04904 0.04943 0.04984 0.04988 0.05011 0.05033 0.05115 0.05117 0.05173 0.05184 0.05213 0.05247 0.05283 0.05304 0.05314 0.05340 0.05374 0.05412 0.05424 0.05450 0.05483 0.05490 0.05501 0.05519 0.05527 0.05531 0.05561 0.05574 0.05578 0.05603 0.05608 0.05630 0.05683 0.05715 0.05738 0.05749 0.05780 0.05799 0.05816 0.05864 0.05895 0.05914 0.05968 0.06020 0.06048 0.06105 0.06135 0.06246 0.06278 0.06407 0.06473 0.06774 0.06811 0.06857 0.06883 0.07017 0.07070 0.07140 0.07216 0.07242 0.07301 0.07364 0.07433 0.07584 0.07819 0.07853 0.08011 0.08095 0.08285 0.08417 0.08445 0.08737 0.08901 0.08983 0.09056 0.09130 0.09204 0.09285 0.09698 0.09806 0.09835 0.09884 0.09953 0.10097 0.10359 0.10389 0.10423 0.10618 0.10673 0.11017 0.11281 0.11668 0.11790 0.12070 0.12210 0.12382 0.12939 0.13053 0.13354 0.13531 0.14011 0.14290 0.15014 0.15027 0.15425 0.15468 0.15661 0.15774 0.15823 0.15844 0.15859 0.15906 0.15923 0.15932 0.15965 0.15968 0.15975 0.15982 0.15985 0.15991 0.15994 0.15996 0.15998 0.15998 0.15999 0.16000 0.16001 0.16001 0.16001 0.16002 0.16002 0.16004 0.16005 0.16006 0.16007 0.16011 0.16015 0.16017 0.16019 0.16021 0.16023 0.16025 0.16033 0.16039 0.16042 0.16052 0.16062 0.16067 0.16091 0.16124 0.16144 0.16174 0.16195 0.16236 0.16260 0.16282 0.16383 0.16624 0.16694 0.16933 0.16971 0.17371 0.17535 0.17696 0.17808 0.18028 0.18074 0.18202 0.18377 0.18848 0.18963 0.19043 0.19461 0.19583 0.19904 0.20275 0.20385 0.20554 0.20959 0.21219 0.21380 0.21503 0.21649 0.21834 0.22022 0.22079 0.22317 0.22390 0.22772 0.23315 0.23801 0.23891 0.24190 0.24590 0.24628 0.24892 0.24989 0.25061 0.25133 0.25248 0.25404 0.25744 0.25945 0.25994 0.26075 0.26271 0.26366 0.26545 0.26778 0.26874 0.27029 0.27129 0.27265 0.27304 0.27408 0.27513 0.27661 0.27771 0.27850 0.28070 0.28107 0.28204 0.28266 0.28417 0.28490 0.28639 0.28836 0.28938 0.28959 0.29202 0.29256 0.29342 0.29450 0.29474 0.29541 0.29840 0.30201 0.30484 0.30722 0.30987 0.31167 0.31231 0.31510 0.31540 0.31678 0.31693 0.31717 0.31753 0.31762 0.31785 0.31818 0.31823 0.31847 0.31898 0.31921 0.31929 0.31947 0.31960 0.31969 0.31980 0.31996 0.32036 0.32052 0.32059 0.32070 0.32081 0.32092 0.32095 0.32101 0.32110 0.32119 0.32127 0.32137 0.32142 0.32145 0.32149 0.32164 0.32169 0.32177 0.32182 0.32183 0.32193 0.32198 0.32206 0.32210 0.32215 0.32222 0.32234 0.32238 0.32258 0.32261 0.32269 0.32272 0.32278 0.32284 0.32288 0.32299 0.32312 0.32321 0.32326 0.32344 0.32368 0.32376 0.32386 0.32404 0.32431 0.32471 0.32482 0.32532 0.32550 0.32584 0.32615 0.32643 0.32684 0.32717 0.32757 0.32792 0.32820 0.32842 0.32889 0.32952 0.33024 0.33095 0.33188 0.33317 0.33533 0.33613 0.33852 0.34052 0.34733 0.34779 0.34996 0.35153 0.35245 0.35285 0.35747 0.35813 0.36095 0.36532 0.36564 0.36708 0.36778 0.36971 0.37031 0.37094 0.37351 0.37753 0.37790 0.37958 0.38124 0.38386 0.38455 0.38768 0.39033 0.39311 0.39846 0.40364 0.40385 0.41357 0.41552 0.41792 0.42225 0.43415 0.45397 0.47611 0.51708 0.54068 0.59363 0.60671 0.66053 0.91143 0.91957 0.92833 0.93037 0.93782 1.03878 3.04333 -1.59441535e-12 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 R106 R107 R108 R109 R110 R111 R112 R113 R114 R115 R116 R117 R118 R119 R120 R121 R122 R123 R124 R125 R126 R127 R128 R129 R130 R131 R132 R133 R134 R135 R136 R137 R138 R139 R140 R141 R142 R143 R144 R145 R146 R147 R148 R149 R150 R151 R152 R153 R154 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1.52089 -0.48663 1.62818 -0.57270 -2.58022 -0.55707 -2.75795 1.51771 2.13041 -1.02618 -2.05849 1.06811 -0.02488 3.10172 -1.00770 -3.08513 1.08633 3.02113 0.94370 -1.16802 1.00994 -1.06749 3.10397 1.41754 -1.72599 -2.58397 0.55568 -0.53226 2.60739 -0.38308 2.77766 1.84719 -1.27525 -2.47990 0.68085 -0.61311 2.59305 2.53053 -0.54649 -0.95171 -3.09422 1.19860 2.21046 0.06795 -1.92241 -3.12848 0.96603 -1.14079 1.05868 -1.13000 3.04636 -1.10284 2.99167 0.88485 1.14038 -1.01136 -3.02977 -3.01290 1.11855 -0.89987 -0.87600 -3.02774 1.23703 -2.78092 1.35302 -0.74471 -0.68072 -2.82997 1.35549 1.36683 -0.78242 -2.88015 -0.93497 1.15990 -3.03655 2.18494 -2.00338 0.08336 2.62143 -1.48406 0.58293 -1.48671 0.69099 2.75798 0.63771 2.81540 -1.40079 -1.83596 1.24466 2.29345 -0.90911 0.21722 -2.98533 -0.08805 -3.11236 2.98863 -0.03568 1.15306 -1.11300 3.13252 -3.02451 0.99261 -1.04505 -0.94739 3.06974 1.03207 -2.92720 1.17528 -0.84045 1.25696 -0.92374 -2.93947 -0.82329 -3.00400 1.26346 0.91041 3.04355 -1.18574 -3.13564 -1.00250 1.05140 -1.11769 1.01545 3.06935 -1.06680 3.13235 1.03234 1.10914 -0.97491 -3.07492 -3.10597 1.09317 -1.00684 3.12635 1.04709 -1.04641 0.99209 -1.08717 3.10251 -1.06590 3.13803 1.04453 3.03008 0.77585 -1.30360 0.92722 -1.32701 2.87672 -1.13794 2.89102 0.81157 3.12640 1.03759 -1.06270 -1.01271 -3.10152 1.08137 1.02440 -1.06441 3.11848 3.00873 0.93600 -1.16113 -1.04040 -3.11312 1.07292 1.03358 -1.03915 -3.13629 3.03535 -0.07944 -0.04395 3.12445 -2.87453 0.24072 0.15086 -3.01708 -0.02157 -2.14161 2.09387 -3.13455 1.02859 -1.01911 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000199 0.000029 0.000015 0.000010 0.000060 0.000040 YES YES NO YES -5.291351e-12 Optimization completed on the basis of negligible forces. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 R106 R107 R108 R109 R110 R111 R112 R113 R114 R115 R116 R117 R118 R119 R120 R121 R122 R123 R124 R125 R126 R127 R128 R129 R130 R131 R132 R133 R134 R135 R136 R137 R138 R139 R140 R141 R142 R143 R144 R145 R146 R147 R148 R149 R150 R151 R152 R153 R154 R155 R156 R157 R158 R159 R160 R161 R162 R163 R164 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 11 12 12 13 14 14 15 16 16 17 18 18 19 19 20 20 20 20 22 22 22 23 23 24 24 25 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 32 32 33 33 34 34 35 35 35 36 36 37 37 37 38 38 38 39 39 39 40 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 45 46 46 46 47 48 50 51 51 51 52 52 52 53 54 54 54 55 55 56 56 56 57 57 58 58 58 59 60 60 61 61 62 62 62 63 63 64 64 65 65 66 66 66 67 68 68 68 69 69 69 70 70 70 71 71 71 72 72 72 73 73 73 74 74 74 25 26 23 31 25 27 31 34 24 103 30 115 33 50 36 53 49 51 47 48 59 60 49 59 63 50 56 73 53 57 74 61 155 21 22 42 43 23 24 75 26 76 25 77 78 37 79 28 29 80 35 38 81 36 39 82 32 33 40 32 83 84 85 34 86 45 87 41 88 89 44 90 91 92 93 47 94 95 96 97 98 99 100 101 46 48 102 104 105 106 107 108 109 49 110 111 112 113 114 116 117 118 119 55 52 54 62 120 58 121 122 66 60 64 123 65 124 57 59 125 61 126 68 69 128 127 129 130 63 131 70 132 133 71 134 67 135 67 136 137 138 139 72 140 141 142 143 144 145 149 150 151 146 147 148 152 153 154 156 157 158 159 160 161 1.4249 1.4427 1.4413 1.4133 1.3953 1.4467 1.4222 1.4378 1.4129 0.9724 1.4279 0.9708 1.4547 1.343 1.4686 1.3402 1.3425 1.4642 1.2167 1.2296 1.4195 1.4263 1.2163 1.4096 1.4452 1.2229 1.4255 1.4222 1.2278 1.4236 1.4272 1.4249 0.9674 1.0456 1.5313 1.5081 1.5032 1.5559 1.5551 1.0912 1.5413 1.0893 1.5459 1.0915 1.0929 1.533 1.0899 1.5619 1.5526 1.0952 1.5607 1.5506 1.0965 1.5613 1.5423 1.096 1.5461 1.5872 1.5356 1.5448 1.0983 1.0933 1.0931 1.5315 1.0941 1.5212 1.0997 1.5575 1.0924 1.0951 1.5407 1.0904 1.0938 1.0922 1.0938 1.5058 1.0986 1.0896 1.0934 1.0917 1.0918 1.094 1.0945 1.0924 1.5352 1.5401 1.0966 1.0894 1.0874 1.0888 1.0863 1.0891 1.0894 1.5188 1.0936 1.0926 1.094 1.0909 1.0928 1.0942 1.0947 1.0938 1.1116 1.4808 1.5139 1.5588 1.5276 1.0946 1.5514 1.0925 1.0984 1.5035 1.5498 1.5031 1.0907 1.3586 1.086 1.5362 1.5434 1.098 1.5298 1.0957 1.5367 1.5348 1.098 1.0949 1.0984 1.0943 1.5523 1.0968 1.5319 1.0954 1.0955 1.5303 1.0963 1.3576 1.09 1.4666 1.0896 1.0935 1.0938 1.0885 1.5077 1.0966 1.0947 1.095 1.0947 1.0974 1.0914 1.0939 1.0955 1.0934 1.0926 1.0932 1.0908 1.0893 1.0912 1.0928 1.0981 1.0986 1.0919 1.0962 1.0931 1.0932 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 A295 A296 A297 A298 A299 A300 A301 A302 A303 A304 A305 A306 A307 A308 A309 A310 A311 25 23 25 31 24 30 33 36 49 59 59 56 57 61 21 21 21 22 22 42 20 20 20 23 23 24 2 2 2 22 22 26 5 5 5 22 22 25 1 1 1 3 3 24 1 1 1 23 23 37 3 3 3 28 28 29 27 27 27 35 35 38 27 27 27 36 36 39 6 6 6 32 32 33 2 2 2 4 4 32 30 30 30 31 31 84 7 7 7 30 30 34 4 4 4 33 33 45 28 28 28 41 41 88 8 8 8 29 29 44 26 26 26 91 91 92 28 28 28 47 47 94 29 29 29 96 96 97 30 30 30 99 99 100 35 35 35 46 46 48 20 20 20 104 104 105 20 20 20 107 107 108 36 36 36 49 49 110 34 34 34 112 112 113 41 41 41 116 116 117 10 10 38 11 11 41 9 9 13 7 7 15 9 9 9 54 54 62 50 50 50 58 58 121 8 8 17 51 51 51 60 60 64 48 48 65 16 16 16 57 57 59 18 18 18 56 56 61 52 52 52 68 68 69 12 12 12 14 14 56 12 12 12 54 54 129 19 19 19 57 57 63 51 51 51 70 70 132 14 14 14 61 61 71 54 54 67 55 55 67 53 53 53 137 137 138 64 64 65 58 58 58 140 140 141 58 58 58 143 143 144 62 62 62 149 149 150 63 63 63 146 146 147 67 67 67 152 152 153 16 16 16 156 156 157 18 18 18 159 159 160 1 2 3 4 5 6 7 8 9 12 14 16 18 19 20 20 20 20 20 20 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 30 30 30 30 30 30 31 31 31 31 31 31 32 32 32 32 32 32 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 35 35 35 36 36 36 36 36 36 37 37 37 37 37 37 38 38 38 38 38 38 39 39 39 39 39 39 40 40 40 40 40 40 41 41 41 41 41 41 42 42 42 42 42 42 43 43 43 43 43 43 44 44 44 44 44 44 45 45 45 45 45 45 46 46 46 46 46 46 47 47 47 48 48 48 49 49 49 50 50 50 51 51 51 51 51 51 52 52 52 52 52 52 53 53 53 54 54 54 54 54 54 55 55 55 56 56 56 56 56 56 57 57 57 57 57 57 58 58 58 58 58 58 59 59 59 59 59 59 60 60 60 60 60 60 61 61 61 61 61 61 62 62 62 62 62 62 63 63 63 63 63 63 64 64 64 65 65 65 66 66 66 66 66 66 67 67 67 68 68 68 68 68 68 69 69 69 69 69 69 70 70 70 70 70 70 71 71 71 71 71 71 72 72 72 72 72 72 73 73 73 73 73 73 74 74 74 74 74 74 26 31 27 34 103 115 50 53 51 60 63 73 74 155 22 42 43 42 43 43 23 24 75 24 75 75 22 26 76 26 76 76 22 25 77 25 77 77 3 24 78 24 78 78 23 37 79 37 79 79 28 29 80 29 80 80 35 38 81 38 81 81 36 39 82 39 82 82 32 33 40 33 40 40 4 32 83 32 83 83 31 84 85 84 85 85 30 34 86 34 86 86 33 45 87 45 87 87 41 88 89 88 89 89 29 44 90 44 90 90 91 92 93 92 93 93 47 94 95 94 95 95 96 97 98 97 98 98 99 100 101 100 101 101 46 48 102 48 102 102 104 105 106 105 106 106 107 108 109 108 109 109 49 110 111 110 111 111 112 113 114 113 114 114 116 117 118 117 118 118 38 119 119 41 55 55 13 44 44 15 52 52 54 62 120 62 120 120 58 121 122 121 122 122 17 66 66 60 64 123 64 123 123 65 124 124 57 59 125 59 125 125 56 61 126 61 126 126 68 69 128 69 128 128 14 56 127 56 127 127 54 129 130 129 130 130 57 63 131 63 131 131 70 132 133 132 133 133 61 71 134 71 134 134 67 135 135 67 136 136 137 138 139 138 139 139 65 72 72 140 141 142 141 142 142 143 144 145 144 145 145 149 150 151 150 151 151 146 147 148 147 148 148 152 153 154 153 154 154 156 157 158 157 158 158 159 160 161 160 161 161 113.4303 120.8545 124.2319 112.5052 106.814 106.5804 119.5017 124.0174 118.0469 117.3181 117.9795 114.2149 118.234 107.7615 111.407 104.2987 106.7124 109.9773 115.0656 108.7777 116.5286 111.7617 104.4319 110.2939 105.8633 107.2066 101.7368 109.8895 109.7309 114.5927 112.0552 108.6196 108.8824 111.2171 106.4458 111.5533 110.8634 107.7626 109.9742 109.1858 109.5063 105.9676 111.4065 110.7319 110.4381 113.6847 104.1117 113.8493 105.9111 108.0384 114.0028 114.3318 100.6057 115.1704 104.4487 106.2511 110.7299 114.1499 104.145 111.7141 108.436 107.175 115.4362 110.3497 108.862 110.7992 104.1852 106.662 107.0118 111.1283 109.5728 110.8336 108.4812 109.7387 108.7404 116.1423 102.1571 111.8544 108.6104 108.7111 117.7066 107.5996 108.6389 106.591 109.9522 105.6627 114.2957 105.0376 106.9906 111.0934 109.2295 110.033 108.4002 108.1391 109.5375 115.2278 107.3201 108.1308 117.9184 108.9758 109.0364 107.9689 106.8165 105.4191 107.4716 103.7076 108.0227 120.1758 107.9842 108.8952 114.7327 109.7909 108.7802 107.3248 108.1218 107.8753 112.7539 110.0782 110.5718 105.2188 109.4099 108.6078 110.4193 111.7042 111.1377 107.7738 107.1255 108.5069 109.9657 111.1156 110.0105 108.3723 109.0549 108.2678 113.6088 110.3619 104.8116 115.6834 107.6781 103.5579 108.7829 109.7239 108.0221 110.1657 110.5307 109.5785 110.107 107.7151 109.2663 109.3929 110.4035 109.9118 118.9391 111.3051 107.4277 107.7335 104.9693 105.4951 110.1689 111.1538 109.5856 108.5591 108.4263 108.8893 109.7785 111.216 112.964 107.6506 107.513 107.5054 124.9813 120.04 114.9732 118.2925 123.5878 118.1196 124.1092 113.8767 122.0043 122.8944 113.685 123.4095 109.659 106.0279 107.0706 116.0922 107.4809 110.1807 117.5896 105.2403 107.3204 109.9343 108.9932 107.2748 117.1044 120.4773 122.4072 109.2711 111.4851 105.7908 112.8281 106.1404 110.955 131.5264 113.8608 114.5228 109.1635 109.7907 110.1967 110.1867 108.8919 108.5981 112.7625 115.7412 103.9001 108.819 106.6479 108.4066 108.9034 113.0237 107.9629 110.4465 107.6967 108.6413 112.928 107.8387 109.8575 112.1429 104.4257 109.599 114.296 109.899 104.5079 110.7456 109.4432 107.5726 108.4702 111.3854 110.456 110.2691 108.6379 107.5895 113.3048 109.3524 108.0385 110.1484 109.1566 106.5994 110.8372 113.1218 103.0259 114.1793 107.1361 107.69 128.3572 114.5034 117.0541 134.3221 113.3299 112.0687 110.9052 111.0517 108.2978 107.9444 109.6913 108.9272 114.8701 123.3388 121.7728 110.8473 110.6496 111.592 107.6908 107.8832 108.0288 111.025 110.3149 111.7455 107.5533 108.2136 107.8325 110.5782 111.0713 111.3993 107.8299 107.8995 107.9178 109.5284 109.3878 112.5102 108.4674 108.7567 108.1008 111.9028 110.4256 111.5334 108.8882 108.0737 105.7866 112.3916 111.3088 106.8871 108.4934 108.5691 109.1079 111.4282 112.2754 105.6845 109.536 108.5643 109.2068 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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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D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 D432 D433 D434 D435 D436 D437 D438 D439 D440 D441 D442 D443 D444 26 26 26 25 25 25 31 31 31 23 23 23 27 27 27 25 25 25 34 34 34 31 31 31 103 103 103 115 115 115 50 50 50 33 33 53 53 53 36 36 51 51 49 49 49 60 60 60 59 59 59 63 63 63 59 59 59 73 73 73 56 56 56 74 74 74 57 57 57 155 155 155 21 21 21 42 42 42 43 43 43 21 21 21 22 22 22 43 43 43 21 21 21 22 22 22 42 42 42 20 20 20 24 24 24 75 75 75 20 20 20 23 23 23 75 75 75 2 2 2 22 22 22 76 76 76 5 5 5 22 22 22 77 77 77 1 1 1 23 23 23 79 79 79 3 3 3 29 29 29 80 80 80 3 3 3 28 28 28 80 80 80 27 27 27 38 38 38 81 81 81 27 27 27 35 35 35 81 81 81 27 27 27 39 39 39 82 82 82 27 27 27 36 36 36 82 82 82 6 6 6 33 33 33 40 40 40 6 6 6 32 32 32 40 40 40 6 6 6 32 32 32 33 33 33 2 2 2 4 4 4 83 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23 23 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 26 26 26 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 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 34 34 34 34 34 34 34 34 34 35 35 35 35 35 35 35 35 35 36 36 36 36 36 36 36 36 36 38 38 38 38 38 38 41 41 41 41 41 41 41 41 41 41 41 41 41 41 41 44 44 44 44 44 44 48 48 48 48 50 50 50 50 50 50 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 52 52 52 52 52 52 52 52 52 53 53 53 53 53 53 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 55 55 55 55 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 57 57 57 57 57 57 57 57 57 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 61 61 61 61 61 61 61 61 61 62 62 62 62 62 62 62 62 62 63 63 63 63 63 63 63 63 63 64 64 64 64 65 65 65 65 67 67 67 67 67 25 25 25 26 26 26 23 23 23 31 31 31 25 25 25 27 27 27 31 31 31 34 34 34 24 24 24 30 30 30 33 33 33 50 50 36 36 36 53 53 49 49 51 51 51 59 59 59 60 60 60 59 59 59 63 63 63 56 56 56 73 73 73 57 57 57 74 74 74 61 61 61 22 22 22 22 22 22 22 22 22 42 42 42 42 42 42 42 42 42 43 43 43 43 43 43 43 43 43 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 26 26 26 25 25 25 25 25 25 25 25 25 37 37 37 37 37 37 37 37 37 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 35 35 35 35 35 35 35 35 35 38 38 38 38 38 38 38 38 38 36 36 36 36 36 36 36 36 36 39 39 39 39 39 39 39 39 39 32 32 32 32 32 32 32 32 32 33 33 33 33 33 33 33 33 33 40 40 40 40 40 40 40 40 40 32 32 32 32 32 32 32 32 32 34 34 34 34 34 34 34 34 34 45 45 45 45 45 45 45 45 45 41 41 41 41 41 41 41 41 41 44 44 44 44 44 44 44 44 44 47 47 47 47 47 47 46 46 46 46 46 46 46 46 46 48 48 48 48 48 48 49 49 49 49 49 49 55 55 55 55 52 52 52 52 52 52 54 54 54 54 54 54 54 54 54 62 62 62 62 62 62 62 62 62 58 58 58 58 58 58 58 58 58 66 66 66 66 66 66 60 60 60 60 60 60 60 60 60 64 64 64 64 64 64 65 65 65 65 57 57 57 57 57 57 57 57 57 59 59 59 59 59 59 59 59 59 61 61 61 61 61 61 61 61 61 68 68 68 68 68 68 68 68 68 69 69 69 69 69 69 69 69 69 63 63 63 63 63 63 63 63 63 70 70 70 70 70 70 70 70 70 71 71 71 71 71 71 71 71 71 67 67 67 67 67 67 67 67 72 72 72 72 72 3 24 78 23 37 79 22 26 76 4 32 83 1 24 78 28 29 80 2 32 83 33 45 87 22 25 77 32 33 40 30 34 86 15 52 29 44 90 17 66 13 44 54 62 120 14 56 127 54 129 130 12 56 127 61 71 134 57 59 125 156 157 158 56 61 126 159 160 161 57 63 131 23 24 75 23 24 75 23 24 75 104 105 106 104 105 106 104 105 106 107 108 109 107 108 109 107 108 109 2 26 76 2 26 76 2 26 76 5 25 77 5 25 77 5 25 77 1 37 79 1 37 79 1 37 79 1 3 78 1 3 78 1 3 78 91 92 93 91 92 93 91 92 93 35 38 81 35 38 81 35 38 81 36 39 82 36 39 82 36 39 82 41 88 89 41 88 89 41 88 89 47 94 95 47 94 95 47 94 95 8 44 90 8 44 90 8 44 90 96 97 98 96 97 98 96 97 98 31 84 85 31 84 85 31 84 85 7 34 86 7 34 86 7 34 86 99 100 101 99 100 101 99 100 101 30 84 85 30 84 85 30 84 85 4 45 87 4 45 87 4 45 87 112 113 114 112 113 114 112 113 114 46 48 102 46 48 102 46 48 102 49 110 111 49 110 111 49 110 111 10 119 10 119 10 119 116 117 118 116 117 118 116 117 118 11 55 11 55 11 55 9 13 9 13 9 13 65 124 65 124 58 121 122 58 121 122 60 64 123 60 64 123 60 64 123 70 132 133 70 132 133 70 132 133 68 69 128 68 69 128 68 69 128 137 138 139 137 138 139 12 129 130 12 129 130 12 129 130 67 135 67 135 67 135 67 136 67 136 18 61 126 18 61 126 18 61 126 12 14 127 12 14 127 12 14 127 19 63 131 19 63 131 19 63 131 140 141 142 140 141 142 140 141 142 143 144 145 143 144 145 143 144 145 14 71 134 14 71 134 14 71 134 149 150 151 149 150 151 149 150 151 146 147 148 146 147 148 146 147 148 65 72 65 72 64 72 64 72 152 153 154 152 153 -178.4547 65.6719 -55.7206 -60.2931 69.1007 -173.581 149.2946 -88.8903 30.4815 77.7706 -49.4151 -167.5327 85.9104 -156.2047 -35.6969 -76.2346 59.1887 172.588 -165.6903 -36.0946 83.8898 75.746 -158.687 -41.0596 55.3961 -67.9213 174.9615 -171.9084 66.9627 -54.4818 -71.9833 166.0017 49.0665 15.4807 -163.3473 -86.1677 145.5754 30.1147 163.8527 -17.3256 -0.9123 -179.7886 78.1184 -155.8271 -38.2016 -104.2965 131.2287 11.8304 76.1778 -49.0427 -164.2141 -70.6136 51.4751 170.0698 -51.3554 78.3657 -165.6634 -152.4733 86.6421 -32.9303 -62.2204 59.7135 178.7664 -85.2136 40.9912 159.7054 -65.0674 58.2286 177.194 -169.0873 69.3755 -50.1265 -89.29 38.7839 154.3549 155.5735 -76.3526 39.2183 32.3342 160.4081 -84.0209 170.8883 -68.5308 50.8752 -69.5457 51.0353 170.4413 57.3039 177.8849 -62.7092 57.9677 -61.2505 179.3833 -66.1666 174.6152 55.2489 169.9581 50.7398 -68.6264 -155.373 86.1227 -38.2302 75.8419 -42.6623 -167.0152 -39.8138 -158.3181 77.329 152.3469 -84.5368 35.567 -76.3255 46.7909 166.8946 38.484 161.6004 -78.2959 -65.7287 164.9659 46.4062 48.0674 -81.238 160.2024 174.2223 44.9169 -73.6427 63.806 -54.6031 -175.5481 -57.9699 -176.379 62.6759 -179.8819 61.709 -59.236 -66.4204 54.5238 172.3583 61.2293 -177.8266 -59.9921 178.5649 -60.491 57.3436 -44.9346 82.1663 -161.2997 -179.9744 -52.8735 63.6606 63.8968 -169.0023 -52.4682 42.5304 169.0992 -74.1649 177.4223 -56.0089 60.727 -67.481 59.0878 175.8237 -114.041 9.4222 124.0086 117.5278 -119.009 -4.4227 -0.3633 123.0999 -122.3137 162.7612 45.6073 -74.3966 -70.6479 172.1981 52.1943 47.9963 -69.1576 170.8385 -84.8352 33.2239 158.8569 148.8244 -93.1165 32.5165 34.4704 152.5295 -81.8375 -175.1209 -55.2028 66.141 -46.0031 73.915 -164.7412 66.7845 -173.2974 -51.9536 -81.0552 158.6174 44.6699 40.2602 -80.0672 165.9852 160.8039 40.4764 -73.4711 -2.7277 115.9081 -122.5307 -121.5862 -2.9503 118.6108 118.6197 -122.7444 -1.1833 -59.9539 -179.9394 60.1765 56.5482 -63.4373 176.6786 177.7685 57.783 -62.1011 103.5465 -135.6014 -21.5316 -22.077 98.7752 -147.155 -142.0024 -21.1502 92.9196 72.6895 -48.6043 -169.0863 -51.3844 -172.6782 66.8398 -172.4747 66.2315 -54.2505 -178.8262 -58.4481 61.958 -57.3909 62.9871 -176.6068 62.6469 -176.9751 -56.5689 -64.5652 67.2497 178.1528 171.4676 -56.7175 54.1855 58.512 -169.6731 -58.77 -146.7584 87.1405 -27.8818 93.2878 -32.8133 -147.8355 -31.9181 -158.0192 86.9586 122.0638 -58.7955 -117.9425 61.1983 -1.4252 177.7156 -57.7369 -176.7652 62.2422 173.0983 54.07 -66.9226 57.8655 -61.1628 177.8446 81.2191 -98.892 -148.0506 31.8383 -30.4963 149.3926 -21.949 159.1482 105.8362 -73.0666 -142.0877 39.0095 -35.1288 148.571 144.9887 -31.3115 -54.5288 -177.2859 68.6748 126.65 3.893 -110.1463 -179.2486 55.3496 -65.3626 60.6576 -64.7441 174.5436 -63.1881 171.4101 50.6979 65.3385 -57.9468 -173.5934 -172.6269 64.0878 -51.5587 -50.1915 -173.4768 70.8767 -159.3348 77.5221 -42.6685 -39.0025 -162.1456 77.6638 78.3135 -44.8295 -165.0202 -53.57 66.4572 -173.9818 125.1876 -114.7852 4.7758 150.196 -85.0313 33.3985 -85.1829 39.5898 158.0196 36.5371 161.3098 -80.2604 -105.1926 71.3143 131.4052 -52.0879 12.4463 -171.0468 -5.0451 -178.3251 171.2358 -2.0441 66.0656 -63.77 179.4804 -173.2919 56.8725 -59.8771 -54.2815 175.883 59.1334 -167.7163 67.3385 -48.1541 72.0184 -52.9267 -168.4194 -47.1712 -172.1163 72.391 52.1626 174.3826 -67.9377 -179.6589 -57.4389 60.2408 -64.0388 58.1812 175.8608 -61.123 179.4703 59.1485 63.5488 -55.858 -176.1797 -177.9591 62.6341 -57.6876 179.1265 59.9941 -59.955 56.8424 -62.2899 177.761 -61.0716 179.7961 59.847 173.6108 44.4528 -74.6907 53.1257 -76.0323 164.8242 -65.1989 165.6431 46.4996 179.1295 59.4498 -60.8881 -58.0242 -177.7039 61.9582 58.6937 -60.986 178.676 172.3876 53.629 -66.5281 -59.6103 -178.3689 61.474 59.2196 -59.539 -179.6961 173.9125 -4.5513 -2.5184 179.0178 -164.6985 13.7919 8.6433 -172.8663 -1.2355 -122.7049 119.9701 -179.5961 58.9345 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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Gaussian 16 GINC-SANTANA SGERVASONI NEW-compound opt 6-31G** ES64L-G16RevA.03 RB3LYP 6-31G(d,p) Freq #N Geom=AllCheck Guess=TCheck SCRF=Check Test GenChk RB3LYP/6-31G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 954.5624000000014 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NEW-compound opt 6-31G** Redundant internal coordinates found in file. (old form). Charge = 1 Multiplicity = 1 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 R106 R107 R108 R109 R110 R111 R112 R113 R114 R115 R116 R117 R118 R119 R120 R121 R122 R123 R124 R125 R126 R127 R128 R129 R130 R131 R132 R133 R134 R135 R136 R137 R138 R139 R140 R141 R142 R143 R144 R145 R146 R147 R148 R149 R150 R151 R152 R153 R154 R155 R156 R157 R158 R159 R160 R161 R162 R163 R164 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 11 12 12 13 14 14 15 16 16 17 18 18 19 19 20 20 20 20 22 22 22 23 23 24 24 25 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 32 32 33 33 34 34 35 35 35 36 36 37 37 37 38 38 38 39 39 39 40 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 45 46 46 46 47 48 50 51 51 51 52 52 52 53 54 54 54 55 55 56 56 56 57 57 58 58 58 59 60 60 61 61 62 62 62 63 63 64 64 65 65 66 66 66 67 68 68 68 69 69 69 70 70 70 71 71 71 72 72 72 73 73 73 74 74 74 25 26 23 31 25 27 31 34 24 103 30 115 33 50 36 53 49 51 47 48 59 60 49 59 63 50 56 73 53 57 74 61 155 21 22 42 43 23 24 75 26 76 25 77 78 37 79 28 29 80 35 38 81 36 39 82 32 33 40 32 83 84 85 34 86 45 87 41 88 89 44 90 91 92 93 47 94 95 96 97 98 99 100 101 46 48 102 104 105 106 107 108 109 49 110 111 112 113 114 116 117 118 119 55 52 54 62 120 58 121 122 66 60 64 123 65 124 57 59 125 61 126 68 69 128 127 129 130 63 131 70 132 133 71 134 67 135 67 136 137 138 139 72 140 141 142 143 144 145 149 150 151 146 147 148 152 153 154 156 157 158 159 160 161 1.4249 1.4427 1.4413 1.4133 1.3953 1.4467 1.4222 1.4378 1.4129 0.9724 1.4279 0.9708 1.4547 1.343 1.4686 1.3402 1.3425 1.4642 1.2167 1.2296 1.4195 1.4263 1.2163 1.4096 1.4452 1.2229 1.4255 1.4222 1.2278 1.4236 1.4272 1.4249 0.9674 1.0456 1.5313 1.5081 1.5032 1.5559 1.5551 1.0912 1.5413 1.0893 1.5459 1.0915 1.0929 1.533 1.0899 1.5619 1.5526 1.0952 1.5607 1.5506 1.0965 1.5613 1.5423 1.096 1.5461 1.5872 1.5356 1.5448 1.0983 1.0933 1.0931 1.5315 1.0941 1.5212 1.0997 1.5575 1.0924 1.0951 1.5407 1.0904 1.0938 1.0922 1.0938 1.5058 1.0986 1.0896 1.0934 1.0917 1.0918 1.094 1.0945 1.0924 1.5352 1.5401 1.0966 1.0894 1.0874 1.0888 1.0863 1.0891 1.0894 1.5188 1.0936 1.0926 1.094 1.0909 1.0928 1.0942 1.0947 1.0938 1.1116 1.4808 1.5139 1.5588 1.5276 1.0946 1.5514 1.0925 1.0984 1.5035 1.5498 1.5031 1.0907 1.3586 1.086 1.5362 1.5434 1.098 1.5298 1.0957 1.5367 1.5348 1.098 1.0949 1.0984 1.0943 1.5523 1.0968 1.5319 1.0954 1.0955 1.5303 1.0963 1.3576 1.09 1.4666 1.0896 1.0935 1.0938 1.0885 1.5077 1.0966 1.0947 1.095 1.0947 1.0974 1.0914 1.0939 1.0955 1.0934 1.0926 1.0932 1.0908 1.0893 1.0912 1.0928 1.0981 1.0986 1.0919 1.0962 1.0931 1.0932 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 A295 A296 A297 A298 A299 A300 A301 A302 A303 A304 A305 A306 A307 A308 A309 A310 A311 25 23 25 31 24 30 33 36 49 59 59 56 57 61 21 21 21 22 22 42 20 20 20 23 23 24 2 2 2 22 22 26 5 5 5 22 22 25 1 1 1 3 3 24 1 1 1 23 23 37 3 3 3 28 28 29 27 27 27 35 35 38 27 27 27 36 36 39 6 6 6 32 32 33 2 2 2 4 4 32 30 30 30 31 31 84 7 7 7 30 30 34 4 4 4 33 33 45 28 28 28 41 41 88 8 8 8 29 29 44 26 26 26 91 91 92 28 28 28 47 47 94 29 29 29 96 96 97 30 30 30 99 99 100 35 35 35 46 46 48 20 20 20 104 104 105 20 20 20 107 107 108 36 36 36 49 49 110 34 34 34 112 112 113 41 41 41 116 116 117 10 10 38 11 11 41 9 9 13 7 7 15 9 9 9 54 54 62 50 50 50 58 58 121 8 8 17 51 51 51 60 60 64 48 48 65 16 16 16 57 57 59 18 18 18 56 56 61 52 52 52 68 68 69 12 12 12 14 14 56 12 12 12 54 54 129 19 19 19 57 57 63 51 51 51 70 70 132 14 14 14 61 61 71 54 54 67 55 55 67 53 53 53 137 137 138 64 64 65 58 58 58 140 140 141 58 58 58 143 143 144 62 62 62 149 149 150 63 63 63 146 146 147 67 67 67 152 152 153 16 16 16 156 156 157 18 18 18 159 159 160 1 2 3 4 5 6 7 8 9 12 14 16 18 19 20 20 20 20 20 20 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 30 30 30 30 30 30 31 31 31 31 31 31 32 32 32 32 32 32 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 35 35 35 36 36 36 36 36 36 37 37 37 37 37 37 38 38 38 38 38 38 39 39 39 39 39 39 40 40 40 40 40 40 41 41 41 41 41 41 42 42 42 42 42 42 43 43 43 43 43 43 44 44 44 44 44 44 45 45 45 45 45 45 46 46 46 46 46 46 47 47 47 48 48 48 49 49 49 50 50 50 51 51 51 51 51 51 52 52 52 52 52 52 53 53 53 54 54 54 54 54 54 55 55 55 56 56 56 56 56 56 57 57 57 57 57 57 58 58 58 58 58 58 59 59 59 59 59 59 60 60 60 60 60 60 61 61 61 61 61 61 62 62 62 62 62 62 63 63 63 63 63 63 64 64 64 65 65 65 66 66 66 66 66 66 67 67 67 68 68 68 68 68 68 69 69 69 69 69 69 70 70 70 70 70 70 71 71 71 71 71 71 72 72 72 72 72 72 73 73 73 73 73 73 74 74 74 74 74 74 26 31 27 34 103 115 50 53 51 60 63 73 74 155 22 42 43 42 43 43 23 24 75 24 75 75 22 26 76 26 76 76 22 25 77 25 77 77 3 24 78 24 78 78 23 37 79 37 79 79 28 29 80 29 80 80 35 38 81 38 81 81 36 39 82 39 82 82 32 33 40 33 40 40 4 32 83 32 83 83 31 84 85 84 85 85 30 34 86 34 86 86 33 45 87 45 87 87 41 88 89 88 89 89 29 44 90 44 90 90 91 92 93 92 93 93 47 94 95 94 95 95 96 97 98 97 98 98 99 100 101 100 101 101 46 48 102 48 102 102 104 105 106 105 106 106 107 108 109 108 109 109 49 110 111 110 111 111 112 113 114 113 114 114 116 117 118 117 118 118 38 119 119 41 55 55 13 44 44 15 52 52 54 62 120 62 120 120 58 121 122 121 122 122 17 66 66 60 64 123 64 123 123 65 124 124 57 59 125 59 125 125 56 61 126 61 126 126 68 69 128 69 128 128 14 56 127 56 127 127 54 129 130 129 130 130 57 63 131 63 131 131 70 132 133 132 133 133 61 71 134 71 134 134 67 135 135 67 136 136 137 138 139 138 139 139 65 72 72 140 141 142 141 142 142 143 144 145 144 145 145 149 150 151 150 151 151 146 147 148 147 148 148 152 153 154 153 154 154 156 157 158 157 158 158 159 160 161 160 161 161 113.4303 120.8545 124.2319 112.5052 106.814 106.5804 119.5017 124.0174 118.0469 117.3181 117.9795 114.2149 118.234 107.7615 111.407 104.2987 106.7124 109.9773 115.0656 108.7777 116.5286 111.7617 104.4319 110.2939 105.8633 107.2066 101.7368 109.8895 109.7309 114.5927 112.0552 108.6196 108.8824 111.2171 106.4458 111.5533 110.8634 107.7626 109.9742 109.1858 109.5063 105.9676 111.4065 110.7319 110.4381 113.6847 104.1117 113.8493 105.9111 108.0384 114.0028 114.3318 100.6057 115.1704 104.4487 106.2511 110.7299 114.1499 104.145 111.7141 108.436 107.175 115.4362 110.3497 108.862 110.7992 104.1852 106.662 107.0118 111.1283 109.5728 110.8336 108.4812 109.7387 108.7404 116.1423 102.1571 111.8544 108.6104 108.7111 117.7066 107.5996 108.6389 106.591 109.9522 105.6627 114.2957 105.0376 106.9906 111.0934 109.2295 110.033 108.4002 108.1391 109.5375 115.2278 107.3201 108.1308 117.9184 108.9758 109.0364 107.9689 106.8165 105.4191 107.4716 103.7076 108.0227 120.1758 107.9842 108.8952 114.7327 109.7909 108.7802 107.3248 108.1218 107.8753 112.7539 110.0782 110.5718 105.2188 109.4099 108.6078 110.4193 111.7042 111.1377 107.7738 107.1255 108.5069 109.9657 111.1156 110.0105 108.3723 109.0549 108.2678 113.6088 110.3619 104.8116 115.6834 107.6781 103.5579 108.7829 109.7239 108.0221 110.1657 110.5307 109.5785 110.107 107.7151 109.2663 109.3929 110.4035 109.9118 118.9391 111.3051 107.4277 107.7335 104.9693 105.4951 110.1689 111.1538 109.5856 108.5591 108.4263 108.8893 109.7785 111.216 112.964 107.6506 107.513 107.5054 124.9813 120.04 114.9732 118.2925 123.5878 118.1196 124.1092 113.8767 122.0043 122.8944 113.685 123.4095 109.659 106.0279 107.0706 116.0922 107.4809 110.1807 117.5896 105.2403 107.3204 109.9343 108.9932 107.2748 117.1044 120.4773 122.4072 109.2711 111.4851 105.7908 112.8281 106.1404 110.955 131.5264 113.8608 114.5228 109.1635 109.7907 110.1967 110.1867 108.8919 108.5981 112.7625 115.7412 103.9001 108.819 106.6479 108.4066 108.9034 113.0237 107.9629 110.4465 107.6967 108.6413 112.928 107.8387 109.8575 112.1429 104.4257 109.599 114.296 109.899 104.5079 110.7456 109.4432 107.5726 108.4702 111.3854 110.456 110.2691 108.6379 107.5895 113.3048 109.3524 108.0385 110.1484 109.1566 106.5994 110.8372 113.1218 103.0259 114.1793 107.1361 107.69 128.3572 114.5034 117.0541 134.3221 113.3299 112.0687 110.9052 111.0517 108.2978 107.9444 109.6913 108.9272 114.8701 123.3388 121.7728 110.8473 110.6496 111.592 107.6908 107.8832 108.0288 111.025 110.3149 111.7455 107.5533 108.2136 107.8325 110.5782 111.0713 111.3993 107.8299 107.8995 107.9178 109.5284 109.3878 112.5102 108.4674 108.7567 108.1008 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D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 D432 D433 D434 D435 D436 D437 D438 D439 D440 D441 D442 D443 D444 D445 26 26 26 25 25 25 31 31 31 23 23 23 27 27 27 25 25 25 34 34 34 31 31 31 103 103 103 115 115 115 50 50 50 33 33 53 53 53 36 36 51 51 49 49 49 60 60 60 59 59 59 63 63 63 59 59 59 73 73 73 56 56 56 74 74 74 57 57 57 155 155 155 21 21 21 42 42 42 43 43 43 21 21 21 22 22 22 43 43 43 21 21 21 22 22 22 42 42 42 20 20 20 24 24 24 75 75 75 20 20 20 23 23 23 75 75 75 2 2 2 22 22 22 76 76 76 5 5 5 22 22 22 77 77 77 1 1 1 23 23 23 79 79 79 3 3 3 29 29 29 80 80 80 3 3 3 28 28 28 80 80 80 27 27 27 38 38 38 81 81 81 27 27 27 35 35 35 81 81 81 27 27 27 39 39 39 82 82 82 27 27 27 36 36 36 82 82 82 6 6 6 33 33 33 40 40 40 6 6 6 32 32 32 40 40 40 6 6 6 32 32 32 33 33 33 2 2 2 4 4 4 83 83 83 7 7 7 30 30 30 86 86 86 4 4 4 33 33 33 87 87 87 28 28 28 88 88 88 89 89 89 8 8 8 29 29 29 90 90 90 28 28 94 94 95 95 35 35 35 48 48 48 102 102 102 35 35 46 46 102 102 36 36 110 110 111 111 11 11 41 41 7 7 7 15 15 15 9 9 9 62 62 62 120 120 120 9 9 9 54 54 54 120 120 120 50 50 50 121 121 121 122 122 122 8 8 8 17 17 17 51 51 51 64 64 64 123 123 123 51 51 60 60 123 123 48 48 124 124 16 16 16 59 59 59 125 125 125 16 16 16 57 57 57 125 125 125 18 18 18 56 56 56 126 126 126 52 52 52 69 69 69 128 128 128 52 52 52 68 68 68 128 128 128 19 19 19 57 57 57 131 131 131 51 51 51 132 132 132 133 133 133 14 14 14 61 61 61 134 134 134 54 54 135 135 55 55 136 136 64 64 64 65 65 65 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 9 9 9 9 9 12 12 12 12 12 12 14 14 14 14 14 14 16 16 16 16 16 16 18 18 18 18 18 18 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 26 26 26 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 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 34 34 34 34 34 34 34 34 34 35 35 35 35 35 35 35 35 35 36 36 36 36 36 36 36 36 36 38 38 38 38 38 38 41 41 41 41 41 41 41 41 41 41 41 41 41 41 41 44 44 44 44 44 44 48 48 48 48 50 50 50 50 50 50 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 52 52 52 52 52 52 52 52 52 53 53 53 53 53 53 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 55 55 55 55 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 57 57 57 57 57 57 57 57 57 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 61 61 61 61 61 61 61 61 61 62 62 62 62 62 62 62 62 62 63 63 63 63 63 63 63 63 63 64 64 64 64 65 65 65 65 67 67 67 67 67 67 25 25 25 26 26 26 23 23 23 31 31 31 25 25 25 27 27 27 31 31 31 34 34 34 24 24 24 30 30 30 33 33 33 50 50 36 36 36 53 53 49 49 51 51 51 59 59 59 60 60 60 59 59 59 63 63 63 56 56 56 73 73 73 57 57 57 74 74 74 61 61 61 22 22 22 22 22 22 22 22 22 42 42 42 42 42 42 42 42 42 43 43 43 43 43 43 43 43 43 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 26 26 26 25 25 25 25 25 25 25 25 25 37 37 37 37 37 37 37 37 37 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 35 35 35 35 35 35 35 35 35 38 38 38 38 38 38 38 38 38 36 36 36 36 36 36 36 36 36 39 39 39 39 39 39 39 39 39 32 32 32 32 32 32 32 32 32 33 33 33 33 33 33 33 33 33 40 40 40 40 40 40 40 40 40 32 32 32 32 32 32 32 32 32 34 34 34 34 34 34 34 34 34 45 45 45 45 45 45 45 45 45 41 41 41 41 41 41 41 41 41 44 44 44 44 44 44 44 44 44 47 47 47 47 47 47 46 46 46 46 46 46 46 46 46 48 48 48 48 48 48 49 49 49 49 49 49 55 55 55 55 52 52 52 52 52 52 54 54 54 54 54 54 54 54 54 62 62 62 62 62 62 62 62 62 58 58 58 58 58 58 58 58 58 66 66 66 66 66 66 60 60 60 60 60 60 60 60 60 64 64 64 64 64 64 65 65 65 65 57 57 57 57 57 57 57 57 57 59 59 59 59 59 59 59 59 59 61 61 61 61 61 61 61 61 61 68 68 68 68 68 68 68 68 68 69 69 69 69 69 69 69 69 69 63 63 63 63 63 63 63 63 63 70 70 70 70 70 70 70 70 70 71 71 71 71 71 71 71 71 71 67 67 67 67 67 67 67 67 72 72 72 72 72 72 3 24 78 23 37 79 22 26 76 4 32 83 1 24 78 28 29 80 2 32 83 33 45 87 22 25 77 32 33 40 30 34 86 15 52 29 44 90 17 66 13 44 54 62 120 14 56 127 54 129 130 12 56 127 61 71 134 57 59 125 156 157 158 56 61 126 159 160 161 57 63 131 23 24 75 23 24 75 23 24 75 104 105 106 104 105 106 104 105 106 107 108 109 107 108 109 107 108 109 2 26 76 2 26 76 2 26 76 5 25 77 5 25 77 5 25 77 1 37 79 1 37 79 1 37 79 1 3 78 1 3 78 1 3 78 91 92 93 91 92 93 91 92 93 35 38 81 35 38 81 35 38 81 36 39 82 36 39 82 36 39 82 41 88 89 41 88 89 41 88 89 47 94 95 47 94 95 47 94 95 8 44 90 8 44 90 8 44 90 96 97 98 96 97 98 96 97 98 31 84 85 31 84 85 31 84 85 7 34 86 7 34 86 7 34 86 99 100 101 99 100 101 99 100 101 30 84 85 30 84 85 30 84 85 4 45 87 4 45 87 4 45 87 112 113 114 112 113 114 112 113 114 46 48 102 46 48 102 46 48 102 49 110 111 49 110 111 49 110 111 10 119 10 119 10 119 116 117 118 116 117 118 116 117 118 11 55 11 55 11 55 9 13 9 13 9 13 65 124 65 124 58 121 122 58 121 122 60 64 123 60 64 123 60 64 123 70 132 133 70 132 133 70 132 133 68 69 128 68 69 128 68 69 128 137 138 139 137 138 139 12 129 130 12 129 130 12 129 130 67 135 67 135 67 135 67 136 67 136 18 61 126 18 61 126 18 61 126 12 14 127 12 14 127 12 14 127 19 63 131 19 63 131 19 63 131 140 141 142 140 141 142 140 141 142 143 144 145 143 144 145 143 144 145 14 71 134 14 71 134 14 71 134 149 150 151 149 150 151 149 150 151 146 147 148 146 147 148 146 147 148 65 72 65 72 64 72 64 72 152 153 154 152 153 154 -178.4547 65.6719 -55.7206 -60.2931 69.1007 -173.581 149.2946 -88.8903 30.4815 77.7706 -49.4151 -167.5327 85.9104 -156.2047 -35.6969 -76.2346 59.1887 172.588 -165.6903 -36.0946 83.8898 75.746 -158.687 -41.0596 55.3961 -67.9213 174.9615 -171.9084 66.9627 -54.4818 -71.9833 166.0017 49.0665 15.4807 -163.3473 -86.1677 145.5754 30.1147 163.8527 -17.3256 -0.9123 -179.7886 78.1184 -155.8271 -38.2016 -104.2965 131.2287 11.8304 76.1778 -49.0427 -164.2141 -70.6136 51.4751 170.0698 -51.3554 78.3657 -165.6634 -152.4733 86.6421 -32.9303 -62.2204 59.7135 178.7664 -85.2136 40.9912 159.7054 -65.0674 58.2286 177.194 -169.0873 69.3755 -50.1265 -89.29 38.7839 154.3549 155.5735 -76.3526 39.2183 32.3342 160.4081 -84.0209 170.8883 -68.5308 50.8752 -69.5457 51.0353 170.4413 57.3039 177.8849 -62.7092 57.9677 -61.2505 179.3833 -66.1666 174.6152 55.2489 169.9581 50.7398 -68.6264 -155.373 86.1227 -38.2302 75.8419 -42.6623 -167.0152 -39.8138 -158.3181 77.329 152.3469 -84.5368 35.567 -76.3255 46.7909 166.8946 38.484 161.6004 -78.2959 -65.7287 164.9659 46.4062 48.0674 -81.238 160.2024 174.2223 44.9169 -73.6427 63.806 -54.6031 -175.5481 -57.9699 -176.379 62.6759 -179.8819 61.709 -59.236 -66.4204 54.5238 172.3583 61.2293 -177.8266 -59.9921 178.5649 -60.491 57.3436 -44.9346 82.1663 -161.2997 -179.9744 -52.8735 63.6606 63.8968 -169.0023 -52.4682 42.5304 169.0992 -74.1649 177.4223 -56.0089 60.727 -67.481 59.0878 175.8237 -114.041 9.4222 124.0086 117.5278 -119.009 -4.4227 -0.3633 123.0999 -122.3137 162.7612 45.6073 -74.3966 -70.6479 172.1981 52.1943 47.9963 -69.1576 170.8385 -84.8352 33.2239 158.8569 148.8244 -93.1165 32.5165 34.4704 152.5295 -81.8375 -175.1209 -55.2028 66.141 -46.0031 73.915 -164.7412 66.7845 -173.2974 -51.9536 -81.0552 158.6174 44.6699 40.2602 -80.0672 165.9852 160.8039 40.4764 -73.4711 -2.7277 115.9081 -122.5307 -121.5862 -2.9503 118.6108 118.6197 -122.7444 -1.1833 -59.9539 -179.9394 60.1765 56.5482 -63.4373 176.6786 177.7685 57.783 -62.1011 103.5465 -135.6014 -21.5316 -22.077 98.7752 -147.155 -142.0024 -21.1502 92.9196 72.6895 -48.6043 -169.0863 -51.3844 -172.6782 66.8398 -172.4747 66.2315 -54.2505 -178.8262 -58.4481 61.958 -57.3909 62.9871 -176.6068 62.6469 -176.9751 -56.5689 -64.5652 67.2497 178.1528 171.4676 -56.7175 54.1855 58.512 -169.6731 -58.77 -146.7584 87.1405 -27.8818 93.2878 -32.8133 -147.8355 -31.9181 -158.0192 86.9586 122.0638 -58.7955 -117.9425 61.1983 -1.4252 177.7156 -57.7369 -176.7652 62.2422 173.0983 54.07 -66.9226 57.8655 -61.1628 177.8446 81.2191 -98.892 -148.0506 31.8383 -30.4963 149.3926 -21.949 159.1482 105.8362 -73.0666 -142.0877 39.0095 -35.1288 148.571 144.9887 -31.3115 -54.5288 -177.2859 68.6748 126.65 3.893 -110.1463 -179.2486 55.3496 -65.3626 60.6576 -64.7441 174.5436 -63.1881 171.4101 50.6979 65.3385 -57.9468 -173.5934 -172.6269 64.0878 -51.5587 -50.1915 -173.4768 70.8767 -159.3348 77.5221 -42.6685 -39.0025 -162.1456 77.6638 78.3135 -44.8295 -165.0202 -53.57 66.4572 -173.9818 125.1876 -114.7852 4.7758 150.196 -85.0313 33.3985 -85.1829 39.5898 158.0196 36.5371 161.3098 -80.2604 -105.1926 71.3143 131.4052 -52.0879 12.4463 -171.0468 -5.0451 -178.3251 171.2358 -2.0441 66.0656 -63.77 179.4804 -173.2919 56.8725 -59.8771 -54.2815 175.883 59.1334 -167.7163 67.3385 -48.1541 72.0184 -52.9267 -168.4194 -47.1712 -172.1163 72.391 52.1626 174.3826 -67.9377 -179.6589 -57.4389 60.2408 -64.0388 58.1812 175.8608 -61.123 179.4703 59.1485 63.5488 -55.858 -176.1797 -177.9591 62.6341 -57.6876 179.1265 59.9941 -59.955 56.8424 -62.2899 177.761 -61.0716 179.7961 59.847 173.6108 44.4528 -74.6907 53.1257 -76.0323 164.8242 -65.1989 165.6431 46.4996 179.1295 59.4498 -60.8881 -58.0242 -177.7039 61.9582 58.6937 -60.986 178.676 172.3876 53.629 -66.5281 -59.6103 -178.3689 61.474 59.2196 -59.539 -179.6961 173.9125 -4.5513 -2.5184 179.0178 -164.6985 13.7919 8.6433 -172.8663 -1.2355 -122.7049 119.9701 -179.5961 58.9345 -58.3905 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00062 0.00106 0.00133 0.00134 0.00183 0.00198 0.00200 0.00213 0.00221 0.00225 0.00230 0.00250 0.00270 0.00291 0.00298 0.00311 0.00321 0.00340 0.00346 0.00354 0.00377 0.00383 0.00406 0.00431 0.00434 0.00453 0.00458 0.00468 0.00498 0.00511 0.00522 0.00622 0.00646 0.00672 0.00709 0.00748 0.00793 0.00857 0.00896 0.00964 0.00988 0.01088 0.01136 0.01161 0.01248 0.01251 0.01396 0.01446 0.01466 0.01561 0.01632 0.01654 0.01798 0.01823 0.02268 0.02433 0.02551 0.02606 0.02655 0.02847 0.02924 0.03030 0.03104 0.03195 0.03289 0.03304 0.03444 0.03454 0.03486 0.03576 0.03654 0.03722 0.03735 0.03754 0.03781 0.03855 0.03862 0.03890 0.03960 0.03979 0.04033 0.04051 0.04102 0.04135 0.04150 0.04170 0.04190 0.04242 0.04250 0.04289 0.04301 0.04333 0.04379 0.04409 0.04421 0.04460 0.04468 0.04503 0.04563 0.04565 0.04571 0.04581 0.04589 0.04601 0.04603 0.04617 0.04618 0.04630 0.04637 0.04643 0.04650 0.04670 0.04694 0.04707 0.04723 0.04756 0.04788 0.04796 0.04820 0.04826 0.04839 0.04853 0.04868 0.04901 0.04942 0.04995 0.05029 0.05085 0.05098 0.05122 0.05253 0.05264 0.05315 0.05352 0.05473 0.05551 0.05590 0.05614 0.05630 0.05670 0.05696 0.05741 0.05787 0.05818 0.05837 0.05965 0.05992 0.06056 0.06174 0.06190 0.06316 0.06361 0.06416 0.06443 0.06503 0.06572 0.06640 0.06762 0.06776 0.06882 0.06944 0.06977 0.07141 0.07219 0.07323 0.07376 0.07424 0.07508 0.07544 0.07572 0.07768 0.07838 0.07964 0.08100 0.08121 0.08384 0.08429 0.08771 0.08794 0.08856 0.08864 0.09012 0.09342 0.09362 0.09546 0.09563 0.09799 0.09848 0.10310 0.10323 0.10641 0.10808 0.10854 0.11142 0.11467 0.11555 0.11758 0.11991 0.12095 0.12210 0.12261 0.12280 0.12297 0.12314 0.12341 0.12359 0.12409 0.12461 0.12477 0.12513 0.12588 0.12664 0.12777 0.12798 0.12951 0.13055 0.13108 0.13149 0.13352 0.13406 0.13415 0.13455 0.13512 0.13604 0.13783 0.13860 0.13925 0.13954 0.14054 0.14206 0.14289 0.14317 0.14397 0.14421 0.14452 0.14616 0.14811 0.14948 0.15043 0.15088 0.15097 0.15283 0.15291 0.15420 0.15576 0.15597 0.15942 0.16001 0.16313 0.16425 0.16652 0.16765 0.16955 0.17097 0.17282 0.17343 0.17591 0.17783 0.17832 0.17958 0.17991 0.18107 0.18162 0.18212 0.18243 0.18376 0.18431 0.18454 0.18696 0.18746 0.18753 0.18843 0.18892 0.18940 0.19009 0.19159 0.19503 0.19605 0.19859 0.19974 0.20183 0.20417 0.20438 0.20543 0.20756 0.20804 0.21042 0.21084 0.21261 0.21662 0.21770 0.21821 0.21911 0.22297 0.22323 0.22479 0.22529 0.22626 0.22686 0.22891 0.22951 0.23210 0.23522 0.23666 0.23798 0.24073 0.24180 0.24465 0.24611 0.24704 0.24861 0.25128 0.25352 0.25533 0.25586 0.25620 0.25769 0.25789 0.25966 0.26149 0.26272 0.26693 0.26800 0.27185 0.27496 0.27651 0.27810 0.27913 0.27961 0.28034 0.28174 0.28253 0.28457 0.28539 0.28946 0.29127 0.29159 0.29384 0.29588 0.29860 0.30001 0.30124 0.30270 0.30318 0.30544 0.30664 0.30798 0.31024 0.31131 0.31385 0.31414 0.31454 0.31650 0.31774 0.31882 0.32071 0.32239 0.32289 0.32348 0.32506 0.32535 0.32615 0.32794 0.32811 0.33046 0.33047 0.33084 0.33151 0.33203 0.33260 0.33339 0.33404 0.33437 0.33442 0.33463 0.33469 0.33506 0.33606 0.33638 0.33668 0.33679 0.33752 0.33817 0.33847 0.33885 0.33925 0.33928 0.33969 0.33987 0.34043 0.34049 0.34061 0.34069 0.34090 0.34132 0.34153 0.34176 0.34200 0.34256 0.34274 0.34299 0.34309 0.34329 0.34350 0.34362 0.34386 0.34390 0.34412 0.34440 0.34485 0.34525 0.34545 0.34598 0.34611 0.34656 0.34678 0.34699 0.34730 0.34746 0.34761 0.34785 0.34809 0.34834 0.34878 0.34932 0.34954 0.35048 0.35056 0.35246 0.35261 0.35280 0.35303 0.35392 0.35424 0.35572 0.35586 0.35709 0.35739 0.35784 0.35821 0.36077 0.36185 0.36261 0.36549 0.36685 0.36987 0.37229 0.37281 0.37593 0.37839 0.38528 0.38885 0.39060 0.40163 0.40199 0.40550 0.42520 0.43093 0.45817 0.46153 0.46592 0.49631 0.50098 0.50434 0.51600 0.52105 0.55939 0.56145 0.64615 0.67143 0.79577 0.81619 0.82797 0.84062 0.85425 0.85554 2.86071 Angle between quadratic step and forces= 76.91 degrees. 1 2 0.00000823 0.00000000 0.00000000 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 R106 R107 R108 R109 R110 R111 R112 R113 R114 R115 R116 R117 R118 R119 R120 R121 R122 R123 R124 R125 R126 R127 R128 R129 R130 R131 R132 R133 R134 R135 R136 R137 R138 R139 R140 R141 R142 R143 R144 R145 R146 R147 R148 R149 R150 R151 R152 R153 R154 R155 R156 R157 R158 R159 R160 R161 R162 R163 R164 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 A295 A296 A297 A298 A299 A300 A301 A302 A303 A304 A305 A306 A307 A308 A309 A310 A311 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 D432 D433 D434 D435 D436 D437 D438 D439 D440 D441 D442 D443 D444 D445 2.69259 2.72634 2.72362 2.67074 2.63671 2.73385 2.68754 2.71708 2.67008 1.83766 2.69842 1.83460 2.74891 2.53782 2.77522 2.53253 2.53703 2.76686 2.29932 2.32369 2.68242 2.69524 2.29855 2.66371 2.73113 2.31104 2.69378 2.68752 2.32014 2.69017 2.69710 2.69264 1.82818 1.97590 2.89372 2.84981 2.84065 2.94019 2.93869 2.06213 2.91261 2.05850 2.92137 2.06258 2.06529 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0.99261 -1.04505 -0.94739 3.06974 1.03207 -2.92720 1.17528 -0.84045 1.25696 -0.92375 -2.93947 -0.82329 -3.00400 1.26346 0.91041 3.04355 -1.18574 -3.13564 -1.00250 1.05140 -1.11769 1.01545 3.06935 -1.06680 3.13235 1.03234 1.10914 -0.97491 -3.07492 -3.10597 1.09317 -1.00684 3.12635 1.04709 -1.04641 0.99209 -1.08717 3.10251 -1.06590 3.13803 1.04453 3.03008 0.77585 -1.30360 0.92722 -1.32701 2.87672 -1.13794 2.89102 0.81157 3.12640 1.03759 -1.06270 -1.01271 -3.10152 1.08137 1.02440 -1.06441 3.11848 3.00873 0.93600 -1.16113 -1.04040 -3.11312 1.07292 1.03358 -1.03915 -3.13629 3.03535 -0.07943 -0.04395 3.12445 -2.87453 0.24071 0.15085 -3.01709 -0.02156 -2.14160 2.09387 -3.13454 1.02860 -1.01911 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000040 0.000008 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -1.558635e-12 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 R106 R107 R108 R109 R110 R111 R112 R113 R114 R115 R116 R117 R118 R119 R120 R121 R122 R123 R124 R125 R126 R127 R128 R129 R130 R131 R132 R133 R134 R135 R136 R137 R138 R139 R140 R141 R142 R143 R144 R145 R146 R147 R148 R149 R150 R151 R152 R153 R154 R155 R156 R157 R158 R159 R160 R161 R162 R163 R164 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 11 12 12 13 14 14 15 16 16 17 18 18 19 19 20 20 20 20 22 22 22 23 23 24 24 25 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 32 32 33 33 34 34 35 35 35 36 36 37 37 37 38 38 38 39 39 39 40 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 45 46 46 46 47 48 50 51 51 51 52 52 52 53 54 54 54 55 55 56 56 56 57 57 58 58 58 59 60 60 61 61 62 62 62 63 63 64 64 65 65 66 66 66 67 68 68 68 69 69 69 70 70 70 71 71 71 72 72 72 73 73 73 74 74 74 25 26 23 31 25 27 31 34 24 103 30 115 33 50 36 53 49 51 47 48 59 60 49 59 63 50 56 73 53 57 74 61 155 21 22 42 43 23 24 75 26 76 25 77 78 37 79 28 29 80 35 38 81 36 39 82 32 33 40 32 83 84 85 34 86 45 87 41 88 89 44 90 91 92 93 47 94 95 96 97 98 99 100 101 46 48 102 104 105 106 107 108 109 49 110 111 112 113 114 116 117 118 119 55 52 54 62 120 58 121 122 66 60 64 123 65 124 57 59 125 61 126 68 69 128 127 129 130 63 131 70 132 133 71 134 67 135 67 136 137 138 139 72 140 141 142 143 144 145 149 150 151 146 147 148 152 153 154 156 157 158 159 160 161 1.4249 1.4427 1.4413 1.4133 1.3953 1.4467 1.4222 1.4378 1.4129 0.9724 1.4279 0.9708 1.4547 1.343 1.4686 1.3402 1.3425 1.4642 1.2167 1.2296 1.4195 1.4263 1.2163 1.4096 1.4452 1.2229 1.4255 1.4222 1.2278 1.4236 1.4272 1.4249 0.9674 1.0456 1.5313 1.5081 1.5032 1.5559 1.5551 1.0912 1.5413 1.0893 1.5459 1.0915 1.0929 1.533 1.0899 1.5619 1.5526 1.0952 1.5607 1.5506 1.0965 1.5613 1.5423 1.096 1.5461 1.5872 1.5356 1.5448 1.0983 1.0933 1.0931 1.5315 1.0941 1.5212 1.0997 1.5575 1.0924 1.0951 1.5407 1.0904 1.0938 1.0922 1.0938 1.5058 1.0986 1.0896 1.0934 1.0917 1.0918 1.094 1.0945 1.0924 1.5352 1.5401 1.0966 1.0894 1.0874 1.0888 1.0863 1.0891 1.0894 1.5188 1.0936 1.0926 1.094 1.0909 1.0928 1.0942 1.0947 1.0938 1.1116 1.4808 1.5139 1.5588 1.5276 1.0946 1.5514 1.0925 1.0984 1.5035 1.5498 1.5031 1.0907 1.3586 1.086 1.5362 1.5434 1.098 1.5298 1.0957 1.5367 1.5348 1.098 1.0949 1.0984 1.0943 1.5523 1.0968 1.5319 1.0954 1.0955 1.5303 1.0963 1.3576 1.09 1.4666 1.0896 1.0935 1.0938 1.0885 1.5077 1.0966 1.0947 1.095 1.0947 1.0974 1.0914 1.0939 1.0955 1.0934 1.0926 1.0932 1.0908 1.0893 1.0912 1.0928 1.0981 1.0986 1.0919 1.0962 1.0931 1.0932 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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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0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 A265 A266 A267 A268 A269 A270 A271 A272 A273 A274 A275 A276 A277 A278 A279 A280 A281 A282 A283 A284 A285 A286 A287 A288 A289 A290 A291 A292 A293 A294 A295 A296 A297 A298 A299 A300 A301 A302 A303 A304 A305 A306 A307 A308 A309 A310 A311 25 23 25 31 24 30 33 36 49 59 59 56 57 61 21 21 21 22 22 42 20 20 20 23 23 24 2 2 2 22 22 26 5 5 5 22 22 25 1 1 1 3 3 24 1 1 1 23 23 37 3 3 3 28 28 29 27 27 27 35 35 38 27 27 27 36 36 39 6 6 6 32 32 33 2 2 2 4 4 32 30 30 30 31 31 84 7 7 7 30 30 34 4 4 4 33 33 45 28 28 28 41 41 88 8 8 8 29 29 44 26 26 26 91 91 92 28 28 28 47 47 94 29 29 29 96 96 97 30 30 30 99 99 100 35 35 35 46 46 48 20 20 20 104 104 105 20 20 20 107 107 108 36 36 36 49 49 110 34 34 34 112 112 113 41 41 41 116 116 117 10 10 38 11 11 41 9 9 13 7 7 15 9 9 9 54 54 62 50 50 50 58 58 121 8 8 17 51 51 51 60 60 64 48 48 65 16 16 16 57 57 59 18 18 18 56 56 61 52 52 52 68 68 69 12 12 12 14 14 56 12 12 12 54 54 129 19 19 19 57 57 63 51 51 51 70 70 132 14 14 14 61 61 71 54 54 67 55 55 67 53 53 53 137 137 138 64 64 65 58 58 58 140 140 141 58 58 58 143 143 144 62 62 62 149 149 150 63 63 63 146 146 147 67 67 67 152 152 153 16 16 16 156 156 157 18 18 18 159 159 160 1 2 3 4 5 6 7 8 9 12 14 16 18 19 20 20 20 20 20 20 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 30 30 30 30 30 30 31 31 31 31 31 31 32 32 32 32 32 32 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 35 35 35 36 36 36 36 36 36 37 37 37 37 37 37 38 38 38 38 38 38 39 39 39 39 39 39 40 40 40 40 40 40 41 41 41 41 41 41 42 42 42 42 42 42 43 43 43 43 43 43 44 44 44 44 44 44 45 45 45 45 45 45 46 46 46 46 46 46 47 47 47 48 48 48 49 49 49 50 50 50 51 51 51 51 51 51 52 52 52 52 52 52 53 53 53 54 54 54 54 54 54 55 55 55 56 56 56 56 56 56 57 57 57 57 57 57 58 58 58 58 58 58 59 59 59 59 59 59 60 60 60 60 60 60 61 61 61 61 61 61 62 62 62 62 62 62 63 63 63 63 63 63 64 64 64 65 65 65 66 66 66 66 66 66 67 67 67 68 68 68 68 68 68 69 69 69 69 69 69 70 70 70 70 70 70 71 71 71 71 71 71 72 72 72 72 72 72 73 73 73 73 73 73 74 74 74 74 74 74 26 31 27 34 103 115 50 53 51 60 63 73 74 155 22 42 43 42 43 43 23 24 75 24 75 75 22 26 76 26 76 76 22 25 77 25 77 77 3 24 78 24 78 78 23 37 79 37 79 79 28 29 80 29 80 80 35 38 81 38 81 81 36 39 82 39 82 82 32 33 40 33 40 40 4 32 83 32 83 83 31 84 85 84 85 85 30 34 86 34 86 86 33 45 87 45 87 87 41 88 89 88 89 89 29 44 90 44 90 90 91 92 93 92 93 93 47 94 95 94 95 95 96 97 98 97 98 98 99 100 101 100 101 101 46 48 102 48 102 102 104 105 106 105 106 106 107 108 109 108 109 109 49 110 111 110 111 111 112 113 114 113 114 114 116 117 118 117 118 118 38 119 119 41 55 55 13 44 44 15 52 52 54 62 120 62 120 120 58 121 122 121 122 122 17 66 66 60 64 123 64 123 123 65 124 124 57 59 125 59 125 125 56 61 126 61 126 126 68 69 128 69 128 128 14 56 127 56 127 127 54 129 130 129 130 130 57 63 131 63 131 131 70 132 133 132 133 133 61 71 134 71 134 134 67 135 135 67 136 136 137 138 139 138 139 139 65 72 72 140 141 142 141 142 142 143 144 145 144 145 145 149 150 151 150 151 151 146 147 148 147 148 148 152 153 154 153 154 154 156 157 158 157 158 158 159 160 161 160 161 161 113.4303 120.8545 124.2319 112.5052 106.814 106.5804 119.5017 124.0174 118.0469 117.3181 117.9795 114.2149 118.234 107.7615 111.407 104.2987 106.7124 109.9773 115.0656 108.7777 116.5286 111.7617 104.4319 110.2939 105.8633 107.2066 101.7368 109.8895 109.7309 114.5927 112.0552 108.6196 108.8824 111.2171 106.4458 111.5533 110.8634 107.7626 109.9742 109.1858 109.5063 105.9676 111.4065 110.7319 110.4381 113.6847 104.1117 113.8493 105.9111 108.0384 114.0028 114.3318 100.6057 115.1704 104.4487 106.2511 110.7299 114.1499 104.145 111.7141 108.436 107.175 115.4362 110.3497 108.862 110.7992 104.1852 106.662 107.0118 111.1283 109.5728 110.8336 108.4812 109.7387 108.7404 116.1423 102.1571 111.8544 108.6104 108.7111 117.7066 107.5996 108.6389 106.591 109.9522 105.6627 114.2957 105.0376 106.9906 111.0934 109.2295 110.033 108.4002 108.1391 109.5375 115.2278 107.3201 108.1308 117.9184 108.9758 109.0364 107.9689 106.8165 105.4191 107.4716 103.7076 108.0227 120.1758 107.9842 108.8952 114.7327 109.7909 108.7802 107.3248 108.1218 107.8753 112.7539 110.0782 110.5718 105.2188 109.4099 108.6078 110.4193 111.7042 111.1377 107.7738 107.1255 108.5069 109.9657 111.1156 110.0105 108.3723 109.0549 108.2678 113.6088 110.3619 104.8116 115.6834 107.6781 103.5579 108.7829 109.7239 108.0221 110.1657 110.5307 109.5785 110.107 107.7151 109.2663 109.3929 110.4035 109.9118 118.9391 111.3051 107.4277 107.7335 104.9693 105.4951 110.1689 111.1538 109.5856 108.5591 108.4263 108.8893 109.7785 111.216 112.964 107.6506 107.513 107.5054 124.9813 120.04 114.9732 118.2925 123.5878 118.1196 124.1092 113.8767 122.0043 122.8944 113.685 123.4095 109.659 106.0279 107.0706 116.0922 107.4809 110.1807 117.5896 105.2403 107.3204 109.9343 108.9932 107.2748 117.1044 120.4773 122.4072 109.2711 111.4851 105.7908 112.8281 106.1404 110.955 131.5264 113.8608 114.5228 109.1635 109.7907 110.1967 110.1867 108.8919 108.5981 112.7625 115.7412 103.9001 108.819 106.6479 108.4066 108.9034 113.0237 107.9629 110.4465 107.6967 108.6413 112.928 107.8387 109.8575 112.1429 104.4257 109.599 114.296 109.899 104.5079 110.7456 109.4432 107.5726 108.4702 111.3854 110.456 110.2691 108.6379 107.5895 113.3048 109.3524 108.0385 110.1484 109.1566 106.5994 110.8372 113.1218 103.0259 114.1793 107.1361 107.69 128.3572 114.5034 117.0541 134.3221 113.3299 112.0687 110.9052 111.0517 108.2978 107.9444 109.6913 108.9272 114.8701 123.3388 121.7728 110.8473 110.6496 111.592 107.6908 107.8832 108.0288 111.025 110.3149 111.7455 107.5533 108.2136 107.8325 110.5782 111.0713 111.3993 107.8299 107.8995 107.9178 109.5284 109.3878 112.5102 108.4674 108.7567 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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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 D417 D418 D419 D420 D421 D422 D423 D424 D425 D426 D427 D428 D429 D430 D431 D432 D433 D434 D435 D436 D437 D438 D439 D440 D441 D442 D443 D444 26 26 26 25 25 25 31 31 31 23 23 23 27 27 27 25 25 25 34 34 34 31 31 31 103 103 103 115 115 115 50 50 50 33 33 53 53 53 36 36 51 51 49 49 49 60 60 60 59 59 59 63 63 63 59 59 59 73 73 73 56 56 56 74 74 74 57 57 57 155 155 155 21 21 21 42 42 42 43 43 43 21 21 21 22 22 22 43 43 43 21 21 21 22 22 22 42 42 42 20 20 20 24 24 24 75 75 75 20 20 20 23 23 23 75 75 75 2 2 2 22 22 22 76 76 76 5 5 5 22 22 22 77 77 77 1 1 1 23 23 23 79 79 79 3 3 3 29 29 29 80 80 80 3 3 3 28 28 28 80 80 80 27 27 27 38 38 38 81 81 81 27 27 27 35 35 35 81 81 81 27 27 27 39 39 39 82 82 82 27 27 27 36 36 36 82 82 82 6 6 6 33 33 33 40 40 40 6 6 6 32 32 32 40 40 40 6 6 6 32 32 32 33 33 33 2 2 2 4 4 4 83 83 83 7 7 7 30 30 30 86 86 86 4 4 4 33 33 33 87 87 87 28 28 28 88 88 88 89 89 89 8 8 8 29 29 29 90 90 90 28 28 94 94 95 95 35 35 35 48 48 48 102 102 102 35 35 46 46 102 102 36 36 110 110 111 111 11 11 41 41 7 7 7 15 15 15 9 9 9 62 62 62 120 120 120 9 9 9 54 54 54 120 120 120 50 50 50 121 121 121 122 122 122 8 8 8 17 17 17 51 51 51 64 64 64 123 123 123 51 51 60 60 123 123 48 48 124 124 16 16 16 59 59 59 125 125 125 16 16 16 57 57 57 125 125 125 18 18 18 56 56 56 126 126 126 52 52 52 69 69 69 128 128 128 52 52 52 68 68 68 128 128 128 19 19 19 57 57 57 131 131 131 51 51 51 132 132 132 133 133 133 14 14 14 61 61 61 134 134 134 54 54 135 135 55 55 136 136 64 64 64 65 65 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 9 9 9 9 9 12 12 12 12 12 12 14 14 14 14 14 14 16 16 16 16 16 16 18 18 18 18 18 18 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 26 26 26 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 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 34 34 34 34 34 34 34 34 34 35 35 35 35 35 35 35 35 35 36 36 36 36 36 36 36 36 36 38 38 38 38 38 38 41 41 41 41 41 41 41 41 41 41 41 41 41 41 41 44 44 44 44 44 44 48 48 48 48 50 50 50 50 50 50 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 52 52 52 52 52 52 52 52 52 53 53 53 53 53 53 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 55 55 55 55 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 57 57 57 57 57 57 57 57 57 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 61 61 61 61 61 61 61 61 61 62 62 62 62 62 62 62 62 62 63 63 63 63 63 63 63 63 63 64 64 64 64 65 65 65 65 67 67 67 67 67 25 25 25 26 26 26 23 23 23 31 31 31 25 25 25 27 27 27 31 31 31 34 34 34 24 24 24 30 30 30 33 33 33 50 50 36 36 36 53 53 49 49 51 51 51 59 59 59 60 60 60 59 59 59 63 63 63 56 56 56 73 73 73 57 57 57 74 74 74 61 61 61 22 22 22 22 22 22 22 22 22 42 42 42 42 42 42 42 42 42 43 43 43 43 43 43 43 43 43 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 26 26 26 25 25 25 25 25 25 25 25 25 37 37 37 37 37 37 37 37 37 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 35 35 35 35 35 35 35 35 35 38 38 38 38 38 38 38 38 38 36 36 36 36 36 36 36 36 36 39 39 39 39 39 39 39 39 39 32 32 32 32 32 32 32 32 32 33 33 33 33 33 33 33 33 33 40 40 40 40 40 40 40 40 40 32 32 32 32 32 32 32 32 32 34 34 34 34 34 34 34 34 34 45 45 45 45 45 45 45 45 45 41 41 41 41 41 41 41 41 41 44 44 44 44 44 44 44 44 44 47 47 47 47 47 47 46 46 46 46 46 46 46 46 46 48 48 48 48 48 48 49 49 49 49 49 49 55 55 55 55 52 52 52 52 52 52 54 54 54 54 54 54 54 54 54 62 62 62 62 62 62 62 62 62 58 58 58 58 58 58 58 58 58 66 66 66 66 66 66 60 60 60 60 60 60 60 60 60 64 64 64 64 64 64 65 65 65 65 57 57 57 57 57 57 57 57 57 59 59 59 59 59 59 59 59 59 61 61 61 61 61 61 61 61 61 68 68 68 68 68 68 68 68 68 69 69 69 69 69 69 69 69 69 63 63 63 63 63 63 63 63 63 70 70 70 70 70 70 70 70 70 71 71 71 71 71 71 71 71 71 67 67 67 67 67 67 67 67 72 72 72 72 72 3 24 78 23 37 79 22 26 76 4 32 83 1 24 78 28 29 80 2 32 83 33 45 87 22 25 77 32 33 40 30 34 86 15 52 29 44 90 17 66 13 44 54 62 120 14 56 127 54 129 130 12 56 127 61 71 134 57 59 125 156 157 158 56 61 126 159 160 161 57 63 131 23 24 75 23 24 75 23 24 75 104 105 106 104 105 106 104 105 106 107 108 109 107 108 109 107 108 109 2 26 76 2 26 76 2 26 76 5 25 77 5 25 77 5 25 77 1 37 79 1 37 79 1 37 79 1 3 78 1 3 78 1 3 78 91 92 93 91 92 93 91 92 93 35 38 81 35 38 81 35 38 81 36 39 82 36 39 82 36 39 82 41 88 89 41 88 89 41 88 89 47 94 95 47 94 95 47 94 95 8 44 90 8 44 90 8 44 90 96 97 98 96 97 98 96 97 98 31 84 85 31 84 85 31 84 85 7 34 86 7 34 86 7 34 86 99 100 101 99 100 101 99 100 101 30 84 85 30 84 85 30 84 85 4 45 87 4 45 87 4 45 87 112 113 114 112 113 114 112 113 114 46 48 102 46 48 102 46 48 102 49 110 111 49 110 111 49 110 111 10 119 10 119 10 119 116 117 118 116 117 118 116 117 118 11 55 11 55 11 55 9 13 9 13 9 13 65 124 65 124 58 121 122 58 121 122 60 64 123 60 64 123 60 64 123 70 132 133 70 132 133 70 132 133 68 69 128 68 69 128 68 69 128 137 138 139 137 138 139 12 129 130 12 129 130 12 129 130 67 135 67 135 67 135 67 136 67 136 18 61 126 18 61 126 18 61 126 12 14 127 12 14 127 12 14 127 19 63 131 19 63 131 19 63 131 140 141 142 140 141 142 140 141 142 143 144 145 143 144 145 143 144 145 14 71 134 14 71 134 14 71 134 149 150 151 149 150 151 149 150 151 146 147 148 146 147 148 146 147 148 65 72 65 72 64 72 64 72 152 153 154 152 153 -178.4547 65.6719 -55.7206 -60.2931 69.1007 -173.581 149.2946 -88.8903 30.4815 77.7706 -49.4151 -167.5327 85.9104 -156.2047 -35.6969 -76.2346 59.1887 172.588 -165.6903 -36.0946 83.8898 75.746 -158.687 -41.0596 55.3961 -67.9213 174.9615 -171.9084 66.9627 -54.4818 -71.9833 166.0017 49.0665 15.4807 -163.3473 -86.1677 145.5754 30.1147 163.8527 -17.3256 -0.9123 -179.7886 78.1184 -155.8271 -38.2016 -104.2965 131.2287 11.8304 76.1778 -49.0427 -164.2141 -70.6136 51.4751 170.0698 -51.3554 78.3657 -165.6634 -152.4733 86.6421 -32.9303 -62.2204 59.7135 178.7664 -85.2136 40.9912 159.7054 -65.0674 58.2286 177.194 -169.0873 69.3755 -50.1265 -89.29 38.7839 154.3549 155.5735 -76.3526 39.2183 32.3342 160.4081 -84.0209 170.8883 -68.5308 50.8752 -69.5457 51.0353 170.4413 57.3039 177.8849 -62.7092 57.9677 -61.2505 179.3833 -66.1666 174.6152 55.2489 169.9581 50.7398 -68.6264 -155.373 86.1227 -38.2302 75.8419 -42.6623 -167.0152 -39.8138 -158.3181 77.329 152.3469 -84.5368 35.567 -76.3255 46.7909 166.8946 38.484 161.6004 -78.2959 -65.7287 164.9659 46.4062 48.0674 -81.238 160.2024 174.2223 44.9169 -73.6427 63.806 -54.6031 -175.5481 -57.9699 -176.379 62.6759 -179.8819 61.709 -59.236 -66.4204 54.5238 172.3583 61.2293 -177.8266 -59.9921 178.5649 -60.491 57.3436 -44.9346 82.1663 -161.2997 -179.9744 -52.8735 63.6606 63.8968 -169.0023 -52.4682 42.5304 169.0992 -74.1649 177.4223 -56.0089 60.727 -67.481 59.0878 175.8237 -114.041 9.4222 124.0086 117.5278 -119.009 -4.4227 -0.3633 123.0999 -122.3137 162.7612 45.6073 -74.3966 -70.6479 172.1981 52.1943 47.9963 -69.1576 170.8385 -84.8352 33.2239 158.8569 148.8244 -93.1165 32.5165 34.4704 152.5295 -81.8375 -175.1209 -55.2028 66.141 -46.0031 73.915 -164.7412 66.7845 -173.2974 -51.9536 -81.0552 158.6174 44.6699 40.2602 -80.0672 165.9852 160.8039 40.4764 -73.4711 -2.7277 115.9081 -122.5307 -121.5862 -2.9503 118.6108 118.6197 -122.7444 -1.1833 -59.9539 -179.9394 60.1765 56.5482 -63.4373 176.6786 177.7685 57.783 -62.1011 103.5465 -135.6014 -21.5316 -22.077 98.7752 -147.155 -142.0024 -21.1502 92.9196 72.6895 -48.6043 -169.0863 -51.3844 -172.6782 66.8398 -172.4747 66.2315 -54.2505 -178.8262 -58.4481 61.958 -57.3909 62.9871 -176.6068 62.6469 -176.9751 -56.5689 -64.5652 67.2497 178.1528 171.4676 -56.7175 54.1855 58.512 -169.6731 -58.77 -146.7584 87.1405 -27.8818 93.2878 -32.8133 -147.8355 -31.9181 -158.0192 86.9586 122.0638 -58.7955 -117.9425 61.1983 -1.4252 177.7156 -57.7369 -176.7652 62.2422 173.0983 54.07 -66.9226 57.8655 -61.1628 177.8446 81.2191 -98.892 -148.0506 31.8383 -30.4963 149.3926 -21.949 159.1482 105.8362 -73.0666 -142.0877 39.0095 -35.1288 148.571 144.9887 -31.3115 -54.5288 -177.2859 68.6748 126.65 3.893 -110.1463 -179.2486 55.3496 -65.3626 60.6576 -64.7441 174.5436 -63.1881 171.4101 50.6979 65.3385 -57.9468 -173.5934 -172.6269 64.0878 -51.5587 -50.1915 -173.4768 70.8767 -159.3348 77.5221 -42.6685 -39.0025 -162.1456 77.6638 78.3135 -44.8295 -165.0202 -53.57 66.4572 -173.9818 125.1876 -114.7852 4.7758 150.196 -85.0313 33.3985 -85.1829 39.5898 158.0196 36.5371 161.3098 -80.2604 -105.1926 71.3143 131.4052 -52.0879 12.4463 -171.0468 -5.0451 -178.3251 171.2358 -2.0441 66.0656 -63.77 179.4804 -173.2919 56.8725 -59.8771 -54.2815 175.883 59.1334 -167.7163 67.3385 -48.1541 72.0184 -52.9267 -168.4194 -47.1712 -172.1163 72.391 52.1626 174.3826 -67.9377 -179.6589 -57.4389 60.2408 -64.0388 58.1812 175.8608 -61.123 179.4703 59.1485 63.5488 -55.858 -176.1797 -177.9591 62.6341 -57.6876 179.1265 59.9941 -59.955 56.8424 -62.2899 177.761 -61.0716 179.7961 59.847 173.6108 44.4528 -74.6907 53.1257 -76.0323 164.8242 -65.1989 165.6431 46.4996 179.1295 59.4498 -60.8881 -58.0242 -177.7039 61.9582 58.6937 -60.986 178.676 172.3876 53.629 -66.5281 -59.6103 -178.3689 61.474 59.2196 -59.539 -179.6961 173.9125 -4.5513 -2.5184 179.0178 -164.6985 13.7919 8.6433 -172.8663 -1.2355 -122.7049 119.9701 -179.5961 58.9345 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) 161 161 161 1.00e+00 60 T 0.0548162 0.0122586 0.0118637 1 -3556.52307486 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=11111111111 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 486 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 486 vectors produced by pass 0 Test12= 3.53D-13 1.00D-09 XBig12= 5.71D+02 1.27D+01. AX will form 48 AO Fock derivatives at one time. 486 vectors produced by pass 1 Test12= 3.53D-13 1.00D-09 XBig12= 7.46D+01 1.67D+00. 484 vectors produced by pass 2 Test12= 3.53D-13 1.00D-09 XBig12= 7.72D-01 7.08D-02. 483 vectors produced by pass 3 Test12= 3.53D-13 1.00D-09 XBig12= 2.64D-03 2.93D-03. 483 vectors produced by pass 4 Test12= 3.53D-13 1.00D-09 XBig12= 3.88D-06 9.39D-05. 254 vectors produced by pass 5 Test12= 3.53D-13 1.00D-09 XBig12= 3.56D-09 2.81D-06. 11 vectors produced by pass 6 Test12= 3.53D-13 1.00D-09 XBig12= 2.83D-12 7.88D-08. 3 vectors produced by pass 7 Test12= 3.53D-13 1.00D-09 XBig12= 2.96D-15 3.66D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 2690 with 486 vectors. Isotropic polarizability for W= 0.000000 825.23 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 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2.19784 2.20020 2.20121 2.20823 2.21382 2.21640 2.21686 2.22222 2.22530 2.23003 2.23305 2.23748 2.23809 2.24138 2.24383 2.24525 2.24706 2.25140 2.25268 2.25506 2.25721 2.26012 2.26349 2.26862 2.27120 2.27216 2.27405 2.27622 2.28073 2.28677 2.29056 2.29292 2.29647 2.29760 2.30175 2.30487 2.30819 2.31351 2.31569 2.31685 2.32202 2.32950 2.33712 2.33811 2.34371 2.34495 2.34719 2.34904 2.35251 2.35621 2.35815 2.35952 2.36348 2.36712 2.37238 2.37543 2.37834 2.38126 2.38237 2.38712 2.39008 2.39424 2.39438 2.39670 2.40339 2.40489 2.40664 2.40894 2.41306 2.41417 2.41850 2.41891 2.42457 2.43015 2.43231 2.43363 2.43860 2.44207 2.44942 2.45196 2.45604 2.45839 2.46451 2.46668 2.46903 2.47348 2.47761 2.48070 2.48123 2.48955 2.49813 2.50273 2.51053 2.51383 2.51432 2.51631 2.51909 2.52101 2.52374 2.52864 2.53035 2.53271 2.53406 2.53767 2.54527 2.54885 2.55102 2.55583 2.56001 2.56164 2.56315 2.57002 2.57491 2.57711 2.58118 2.58384 2.58845 2.59164 2.59909 2.60198 2.60921 2.61118 2.61126 2.61348 2.61545 2.62001 2.62226 2.62402 2.62470 2.62774 2.63356 2.63553 2.63942 2.64422 2.64528 2.65079 2.65331 2.65796 2.65827 2.65891 2.66069 2.66294 2.66645 2.66729 2.66800 2.67080 2.67366 2.67795 2.68087 2.68311 2.68602 2.68686 2.69042 2.69394 2.69533 2.69787 2.70116 2.70236 2.70471 2.70532 2.70798 2.70971 2.71304 2.71438 2.71623 2.71980 2.72229 2.72279 2.72495 2.72546 2.72779 2.73029 2.73424 2.73551 2.73646 2.74110 2.74344 2.74913 2.75035 2.75159 2.75354 2.75846 2.75993 2.76270 2.76985 2.77132 2.77146 2.77414 2.77790 2.77846 2.77975 2.78629 2.78983 2.79253 2.79499 2.79961 2.80070 2.80646 2.80883 2.81807 2.81970 2.82248 2.82526 2.82731 2.83375 2.83524 2.83829 2.83978 2.84437 2.84604 2.84655 2.84860 2.85158 2.85341 2.85716 2.85929 2.86332 2.86486 2.86760 2.87073 2.87212 2.87543 2.87654 2.87990 2.88102 2.88169 2.88520 2.88817 2.89139 2.89253 2.89371 2.89455 2.89572 2.90165 2.90379 2.90559 2.90881 2.90985 2.91184 2.91582 2.91734 2.91964 2.92333 2.92582 2.92850 2.93238 2.93422 2.93510 2.93889 2.94625 2.95231 2.95472 2.95528 2.96110 2.96390 2.97062 2.97326 2.97533 2.97767 2.98198 2.98905 2.99198 2.99778 3.00552 3.01334 3.02146 3.02408 3.03357 3.03821 3.04360 3.04527 3.05345 3.05870 3.06371 3.06668 3.07169 3.08562 3.09592 3.10323 3.11501 3.11903 3.12005 3.12798 3.13111 3.13340 3.15093 3.15504 3.15760 3.16874 3.17231 3.17435 3.19033 3.19432 3.19513 3.20551 3.20773 3.21286 3.21389 3.22159 3.22357 3.22621 3.23048 3.24078 3.24405 3.24733 3.25732 3.26158 3.27872 3.29543 3.30326 3.30662 3.31256 3.31666 3.32991 3.33075 3.34129 3.34405 3.35071 3.35221 3.35395 3.35677 3.35920 3.37207 3.38931 3.39061 3.39540 3.39714 3.39897 3.40664 3.40996 3.41664 3.42077 3.42644 3.42684 3.42946 3.43286 3.43758 3.43960 3.43995 3.44233 3.44620 3.44897 3.45235 3.45360 3.45628 3.45892 3.46284 3.46550 3.46893 3.47104 3.47533 3.47785 3.48020 3.48106 3.48390 3.48476 3.48985 3.49278 3.49543 3.49840 3.50262 3.50658 3.51162 3.51244 3.51677 3.52508 3.52764 3.53203 3.53465 3.54051 3.54465 3.55655 3.56140 3.56338 3.56813 3.57108 3.57859 3.58307 3.58832 3.59689 3.61223 3.95008 3.96183 3.98413 3.99879 4.01297 4.05693 4.07353 4.07800 4.09779 4.11098 4.11721 4.14534 4.15714 4.17201 4.17580 4.17872 4.18796 4.23300 4.23617 4.24933 4.25449 4.28254 4.28549 4.31404 4.33003 4.34649 4.35847 4.38831 4.39425 4.40892 4.41574 4.44202 4.45236 4.45438 4.45964 4.48280 4.48876 4.49415 4.49634 4.51304 4.51627 4.52644 4.53892 4.54893 4.55926 4.56677 4.58088 4.58735 4.59235 4.59908 4.60824 4.62548 4.63618 4.65492 4.65829 4.68559 4.69425 4.70869 4.72762 4.72862 4.73642 4.76289 4.76752 4.79058 4.80010 4.82957 4.84871 4.85645 4.85842 4.91991 4.92827 4.94294 4.99310 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 O O O O 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 C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H -0.528677 -0.545475 -0.543871 -0.521891 -0.569073 -0.576613 -0.463933 -0.478209 -0.480371 -0.434570 -0.512836 -0.518292 -0.516674 -0.514400 -0.525666 -0.507755 -0.518551 -0.534797 -0.571114 -0.489229 0.370658 0.018177 0.116624 0.126574 0.449088 0.150010 0.163226 -0.095844 -0.116053 0.268726 0.428251 -0.279593 0.176224 0.123548 -0.194869 0.150548 -0.372780 -0.275243 -0.344400 -0.344548 -0.128900 -0.211500 -0.209969 -0.299030 -0.334370 -0.342868 0.302296 0.406915 0.637540 0.606859 0.155759 -0.242220 0.636143 -0.145846 -0.177104 0.143989 0.176173 -0.069190 0.392783 0.039336 0.137821 -0.202716 0.134275 -0.118089 -0.090358 -0.419916 0.143803 -0.316689 -0.342213 -0.334865 -0.321634 -0.365716 -0.079756 -0.082130 0.177101 0.156074 0.131572 0.082880 0.148440 0.115713 0.119297 0.120805 0.112019 0.140406 0.143540 0.129015 0.117422 0.125318 0.113700 0.143822 0.107431 0.139871 0.140469 0.135364 0.150001 0.121497 0.137329 0.122726 0.116734 0.117050 0.127209 0.117926 0.333567 0.185140 0.176798 0.178648 0.173859 0.177183 0.187189 0.177121 0.170044 0.120129 0.132831 0.121135 0.330436 0.117765 0.119837 0.112756 0.092566 0.128434 0.128096 0.142444 0.133661 0.117571 0.099879 0.109513 0.101666 0.104064 0.115998 0.121767 0.110325 0.121525 0.122092 0.106335 0.110349 0.113595 0.177278 0.176204 0.164357 0.108120 0.107393 0.107336 0.113127 0.100526 0.130515 0.108590 0.111335 0.121065 0.113712 0.113506 0.121805 0.108383 0.135771 0.121607 0.331761 0.109376 0.111578 0.125928 0.105651 0.116525 0.108559 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 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 O O O O 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 C C C C C C C C C C C -0.528677 -0.545475 -0.543871 -0.521891 -0.235506 -0.246177 -0.463933 -0.478209 -0.480371 -0.434570 -0.512836 -0.518292 -0.516674 -0.514400 -0.525666 -0.507755 -0.518551 -0.534797 -0.239353 -0.118571 0.195278 0.272699 0.258146 0.531968 0.298450 0.278939 0.023453 0.004753 0.268726 0.540270 0.004352 0.305239 0.240970 0.044148 0.294370 0.014992 0.010122 0.037151 0.016446 -0.010974 0.329086 0.328262 0.048135 0.039726 0.007489 0.394862 0.406915 0.637540 0.606859 0.284193 0.028321 0.636143 -0.012185 -0.059534 0.243868 0.285686 0.034874 0.494448 0.277101 0.248146 0.040901 0.240610 -0.007740 0.023237 0.097923 0.143803 0.006159 0.001956 0.014158 0.019356 0.000045 0.267126 0.248605 0.99999 903.185 24.138 785.667 32.175 16.517 786.851 969.262 10.494 829.084 34.410 6.550 865.230 -0.0046 -0.0022 -0.0009 0.6455 3.0467 4.2856 7.8208 8.6043 13.0383 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 7.5458 7.9722 13.0235 17.4679 18.2843 20.4662 23.3979 27.1952 31.6190 35.2597 36.2610 42.4825 44.7851 47.4452 48.5738 52.4102 54.3177 58.1124 59.3853 64.3906 68.7200 73.7797 76.9178 82.8898 83.7439 86.4301 87.6262 90.5210 93.7347 96.5151 101.9563 104.1980 109.5024 112.0728 115.2665 117.2578 125.7575 130.5542 134.0335 137.2333 139.5829 147.9111 152.1977 156.6976 157.5789 161.3935 169.9539 170.7619 171.8600 175.4210 179.2503 183.4236 187.0747 189.1687 189.5478 191.8347 202.8653 203.2846 213.2115 214.7916 216.8981 221.2538 223.0103 225.8379 231.5356 232.7999 234.6333 240.1318 242.3337 242.7670 245.0528 245.5419 259.9649 265.8053 268.4035 272.7844 274.7481 274.9515 280.3885 283.9879 285.6338 290.1814 294.1966 298.9459 300.4471 312.0175 317.1645 318.2684 319.1548 319.9656 323.9169 328.2488 331.0817 337.9415 344.0859 345.8231 351.0789 353.5947 361.3771 372.4215 379.0706 384.9156 397.7272 399.9975 403.1175 406.4457 408.6692 412.9765 418.7842 424.0710 430.4814 435.5867 449.7351 456.8933 460.6450 465.4867 467.6482 471.4731 478.5823 479.2457 482.2974 497.9576 499.9251 502.9253 505.8828 514.5112 521.0605 533.9538 536.5398 538.9303 540.9933 548.0167 555.3464 564.6047 570.9681 573.5426 585.7179 587.7639 599.2602 616.2425 618.4813 641.8251 649.1259 659.6732 662.9996 678.9448 683.6445 687.8997 696.3645 718.2246 724.7626 734.9335 747.0668 776.7291 781.6204 783.6962 795.1518 797.9500 812.2382 814.1868 820.3935 830.9712 840.1551 844.5414 851.9839 855.6842 864.5110 871.1235 873.3085 876.6883 877.0878 885.2400 887.3899 897.8475 899.2496 904.6123 905.9056 909.0825 914.8781 920.0897 922.8504 925.6896 930.0304 936.5904 937.3006 946.0536 949.4737 951.7896 965.5304 968.1739 968.4131 971.0349 971.4607 978.1173 979.0560 982.8150 985.5062 989.8145 996.4052 1002.1923 1005.9423 1008.1958 1015.4134 1017.0946 1021.9317 1026.0426 1026.3427 1029.8184 1034.8384 1038.1347 1042.4916 1049.1533 1054.1921 1056.8616 1061.5569 1061.8443 1064.8943 1066.3817 1066.9087 1069.3128 1073.9036 1076.3604 1078.9320 1085.4647 1088.0388 1094.1094 1104.3509 1105.8079 1110.2455 1110.8740 1111.5610 1115.5940 1118.9147 1120.0929 1122.4790 1128.5130 1134.6595 1136.6342 1138.7674 1144.0040 1146.5112 1147.2019 1148.7787 1152.9126 1158.5267 1165.7242 1169.5719 1172.0162 1179.0762 1181.0396 1181.3235 1181.8739 1184.6057 1190.7756 1194.6398 1197.7828 1200.6974 1204.1393 1209.7063 1218.6284 1222.8639 1228.2461 1233.0558 1233.2933 1253.9329 1262.6979 1267.4866 1268.6856 1272.6474 1277.8189 1283.2674 1286.7841 1291.2568 1295.8362 1303.3876 1307.5681 1309.2640 1312.0177 1313.6776 1315.9599 1318.5350 1321.2683 1324.5288 1326.1289 1329.4009 1332.7147 1338.2050 1340.3813 1344.9962 1348.7596 1350.9836 1358.3354 1359.3440 1361.1924 1364.5406 1368.1212 1368.7326 1372.4222 1374.0459 1376.3739 1379.7231 1383.8490 1384.0830 1387.3156 1388.1784 1390.9248 1392.1527 1392.8492 1394.7391 1399.0195 1404.5160 1406.7440 1408.7462 1409.8015 1410.8663 1412.0162 1412.6825 1413.0441 1416.1301 1417.4244 1420.2839 1420.7599 1421.1571 1424.1764 1424.2865 1425.0361 1427.0658 1428.3404 1429.0840 1430.5450 1432.9162 1436.6761 1438.5798 1441.6458 1442.2650 1444.2390 1454.8526 1465.2558 1467.2697 1470.0476 1472.8853 1473.4989 1474.1096 1474.9241 1478.2843 1481.1399 1483.8999 1484.6321 1485.5157 1485.8994 1486.3886 1487.7431 1488.6042 1491.5433 1493.6765 1494.1777 1497.5130 1497.5560 1497.7748 1498.9060 1500.1765 1500.7472 1502.2340 1503.0175 1504.7752 1506.2762 1508.5900 1508.9118 1509.4516 1509.6393 1510.1088 1511.0975 1512.2448 1514.0895 1515.1833 1516.1201 1519.7107 1521.1744 1521.6413 1524.5179 1526.0555 1544.4854 1630.7128 1668.8436 1735.3272 1740.8574 1752.4749 1782.4980 1799.0649 2911.0460 3006.2878 3016.7732 3023.6332 3023.8462 3031.0714 3033.7214 3033.7889 3037.1886 3037.8274 3038.6447 3043.8240 3046.2800 3048.1142 3048.6634 3048.9505 3051.1793 3051.6905 3053.9960 3055.9226 3057.8246 3059.4354 3061.8120 3065.2877 3066.6401 3067.1827 3067.7717 3070.1561 3072.3704 3072.5482 3074.1178 3075.2453 3077.5250 3079.9030 3084.9232 3087.6196 3092.6015 3094.8415 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