Gaussian 16 GINC-ART GMALLOCI NEW-compound opt6-31G** ES64L-G16RevA.03 2-Oct-2021 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 135 135 (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 768.4651000000005 2 1 AuxInfo=1/0/N:1;2;3;5;6;7;8;9;10;11;12;13;14;15;16;18;20;21;22;25;28;29;30;31;34;35;37;38;39;41;43;44;45;46;47;49;50;52;53;54;55;56;59;33;48;4;17;19;23;24;26;27;32;36;40;42;51;57;58;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/rA:135nC0C0C0O0C0C0C0C0C0C0C0C0C0C0C0C0O0C0O0C0C0C0O0O0C0O0O0C0C0C0C0O0N0C0C0O0C0C0C0O0C0O0C0C0C0C0C0N0C0C0O0C0C0C0C0C0O0O0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3757,14.8729,1.8683;1.046,15.7231,.7368;-.3126,15.3965,.0294;-.4564,13.9703,-.1483;-1.388,13.2198,-.8186;2.5675,14.8973,2.493;2.9139,13.8856,3.3265;4.0426,13.1863,3.1108;4.2565,11.8207,3.5877;3.324,10.822,2.7546;1.8554,10.67,3.3332;-1.3651,11.7453,-.6771;.0266,11.0406,-.797;.1939,9.7387,.0712;.545,11.0007,2.4851;-.0797,9.8018,1.6312;-.7154,8.7611,-.4946;-.2251,7.9202,-1.5618;-2.2787,13.7496,-1.5219;3.4874,11.0343,1.2176;-.5283,11.597,3.4813;-1.7127,12.2421,2.8774;-1.7428,13.4685,2.6267;.2734,8.5739,2.3284;-.3052,7.3008,1.9787;1.1338,11.9123,-.6081;-1.7153,7.4319,1.7127;-2.3202,6.2333,1.2046;-2.2699,5.0863,2.2627;-.8281,4.9335,2.8763;-.1406,6.3145,3.1632;1.2479,6.14,3.4437;-.8382,4.0177,4.0781;-1.3887,4.5432,5.3637;.382,3.1858,4.2935;-2.7167,3.9247,1.5235;-3.0406,2.675,2.1694;-3.754,6.6191,.772;-.4344,16.1896,-1.3003;5.7005,11.6032,3.54;6.2014,10.2609,3.4026;5.6538,9.378,4.4051;5.8243,7.9853,4.0649;7.344,7.6065,3.9024;8.171,8.7206,3.1654;7.7378,10.1714,3.5052;5.0966,7.1538,5.1476;7.533,6.228,3.3052;8.9109,5.6578,3.4057;6.8864,5.9597,1.9762;-3.3238,1.7191,1.1245;-4.5103,1.9964,.3419;-5.7731,1.9979,1.2565;-5.6009,2.9608,2.4776;-4.2273,2.7058,3.1751;-4.59,.9388,-.7844;-6.9296,2.3495,.4941;-5.6333,4.3122,2.0118;-6.771,2.8058,3.4926;.6683,14.1554,2.2841;.9471,16.7171,1.1732;1.8376,15.5212,.0151;-1.1706,15.6368,.6573;3.2484,15.7317,2.3248;2.2801,13.6326,4.1765;4.7941,13.7337,2.542;4.0246,11.7039,4.6463;3.6835,9.8002,2.8754;1.7707,9.6034,3.5416;1.8263,11.3892,4.1518;-1.7074,11.573,.3433;-1.9601,11.3906,-1.5187;.1321,10.7943,-1.8535;1.2375,9.4395,-.0264;.8435,11.7193,1.7219;-1.1668,9.8817,1.6391;-.9238,7.1004,-1.7287;-.131,8.5088,-2.4743;.7497,7.5167,-1.2877;2.7631,10.4169,.6864;3.3175,12.0834,.9756;4.4962,10.751,.917;-.9446,10.753,4.0312;-.0366,12.4082,4.0183;-2.6517,11.7691,2.5901;.1818,6.9957,1.0524;1.0978,12.2886,.2743;-1.7321,5.9027,.3485;-2.9459,5.2061,3.1093;-.1951,4.4217,2.1515;-.5509,6.7499,4.0743;1.4138,6.3316,4.3696;-2.2762,3.9732,5.6388;-.6374,4.4463,6.1474;-1.6544,5.5934,5.2429;.6086,3.1423,5.3588;.2054,2.1778,3.9182;1.2231,3.6296,3.7608;-2.1316,2.4173,2.7128;-4.3113,6.9758,1.6382;-3.707,7.4073,.0205;-4.2542,5.7463,.3523;-.8434,17.1793,-1.0969;.5511,16.2902,-1.755;-1.0965,15.6561,-1.9823;5.8173,9.9698,2.4249;5.3463,7.8449,3.0954;7.7727,7.5094,4.8998;9.1926,8.6284,3.5338;7.9613,8.5958,2.103;8.1451,10.8175,2.7276;7.996,10.3462,4.5497;5.0076,7.7437,6.0598;4.1026,6.8837,4.7912;5.6669,6.2483,5.3545;9.2457,5.6973,4.4423;8.9011,4.6221,3.0662;9.5906,6.2382,2.782;6.0895,5.2267,2.1012;6.4691,6.8862,1.5816;7.6312,5.5718,1.2814;-4.3934,2.9927,-.0845;-5.9876,.9883,1.607;-4.2854,1.7049,3.6027;-4.0513,3.5654,3.8218;-5.462,.3042,-.6258;-4.6759,1.4403,-1.7483;-3.6882,.3266,-.7724;-7.5918,2.7311,1.0748;-5.8505,4.897,2.7415;-7.4084,1.9757,3.1882;-6.3669,2.6085,4.4855;-7.3568,3.7248,3.5147;-1.5527,3.377,3.7634;6.981,5.6782,3.948; g16 Output=mol.log NProcShared=64 Mem=64Gb 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 1 1 1 2 2 2 3 3 3 4 5 5 6 6 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 17 18 18 18 20 20 20 21 21 21 22 22 24 25 25 25 26 27 28 28 28 29 29 29 30 30 30 31 31 32 33 33 33 34 34 34 35 35 35 36 37 37 37 38 38 38 39 39 39 40 41 41 41 42 43 43 43 44 44 44 45 45 45 46 46 47 47 47 48 48 48 49 49 49 50 50 50 51 52 52 52 53 53 53 54 54 54 55 55 56 56 56 57 58 59 59 59 2 6 60 3 61 62 4 39 63 5 12 19 7 64 8 65 9 66 10 40 67 11 20 68 15 69 70 13 71 72 14 26 73 16 17 74 16 21 75 24 76 18 77 78 79 80 81 82 22 83 84 23 85 25 27 31 86 87 28 29 38 88 30 36 89 31 33 90 32 91 92 34 35 134 93 94 95 96 97 98 37 51 55 99 100 101 102 103 104 105 41 42 46 106 43 44 47 107 45 48 108 46 109 110 111 112 113 114 115 49 50 135 116 117 118 119 120 121 52 53 56 122 54 57 123 55 58 59 124 125 126 127 128 129 130 131 132 133 1.4532 1.3458 1.09 1.5662 1.09 1.09 1.4444 1.5531 1.09 1.3713 1.4814 1.2525 1.3559 1.09 1.3452 1.09 1.4622 1.09 1.6003 1.4611 1.09 1.5858 1.5602 1.0899 1.5956 1.0901 1.09 1.5646 1.09 1.0901 1.5737 1.4217 1.09 1.5851 1.4501 1.09 1.599 1.5812 1.09 1.4555 1.09 1.4444 1.09 1.09 1.09 1.09 1.09 1.0901 1.4776 1.09 1.09 1.2522 1.09 1.4415 1.441 1.5501 1.0901 0.96 1.4355 1.5612 1.5465 1.09 1.5744 1.4475 1.09 1.5691 1.511 1.09 1.4273 1.09 0.96 1.494 1.4924 1.01 1.0901 1.09 1.09 1.09 1.09 1.09 1.4436 1.4442 1.5558 1.09 1.09 1.0901 1.09 1.09 1.0899 1.09 1.4393 1.4438 1.5424 1.09 1.4438 1.5746 1.547 1.09 1.571 1.5142 1.09 1.5518 1.0899 1.0901 1.0899 1.0901 1.0899 1.09 1.0899 1.4946 1.5021 1.01 1.09 1.09 1.0899 1.09 1.09 1.09 1.4481 1.5593 1.5471 1.09 1.5646 1.429 1.09 1.5615 1.4298 1.5567 1.09 1.09 1.09 1.0899 1.09 0.9599 0.96 1.09 1.09 1.09 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 6 1 1 1 3 3 61 2 2 2 4 4 39 3 4 4 12 1 1 7 6 6 8 7 7 9 8 8 8 10 10 40 9 9 9 11 11 20 10 10 10 15 15 69 5 5 5 13 13 71 12 12 12 14 14 26 13 13 13 16 16 17 11 11 11 16 16 21 14 14 14 15 15 24 14 17 17 17 77 77 78 10 10 10 80 80 81 15 15 15 22 22 83 21 21 23 16 24 24 24 27 27 31 13 25 27 27 27 29 29 38 28 28 28 30 30 36 29 29 29 31 31 33 25 25 25 30 30 32 31 30 30 30 34 34 35 33 33 33 93 93 94 33 33 33 96 96 97 29 36 36 36 51 51 55 28 28 28 100 100 101 3 3 3 103 103 104 9 40 40 40 42 42 46 41 42 42 42 44 44 47 43 43 43 45 45 48 44 44 44 46 46 109 41 41 41 45 45 111 43 43 43 113 113 114 44 44 44 49 49 50 48 48 48 116 116 117 48 48 48 119 119 120 37 51 51 51 53 53 56 52 52 52 54 54 57 53 53 53 55 55 58 37 37 37 54 54 124 52 52 52 126 126 127 53 54 54 54 54 131 131 132 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 18 18 18 18 18 18 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 24 25 25 25 25 25 25 26 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 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 35 35 35 36 37 37 37 37 37 37 38 38 38 38 38 38 39 39 39 39 39 39 40 41 41 41 41 41 41 42 43 43 43 43 43 43 44 44 44 44 44 44 45 45 45 45 45 45 46 46 46 46 46 46 47 47 47 47 47 47 48 48 48 48 48 48 49 49 49 49 49 49 50 50 50 50 50 50 51 52 52 52 52 52 52 53 53 53 53 53 53 54 54 54 54 54 54 55 55 55 55 55 55 56 56 56 56 56 56 57 58 59 59 59 59 59 59 6 60 60 3 61 62 61 62 62 4 39 63 39 63 63 5 12 19 19 7 64 64 8 65 65 9 66 66 10 40 67 40 67 67 11 20 68 20 68 68 15 69 70 69 70 70 13 71 72 71 72 72 14 26 73 26 73 73 16 17 74 17 74 74 16 21 75 21 75 75 15 24 76 24 76 76 18 77 78 79 78 79 79 80 81 82 81 82 82 22 83 84 83 84 84 23 85 85 25 27 31 86 31 86 86 87 28 29 38 88 38 88 88 30 36 89 36 89 89 31 33 90 33 90 90 30 32 91 32 91 91 92 34 35 134 35 134 134 93 94 95 94 95 95 96 97 98 97 98 98 37 51 55 99 55 99 99 100 101 102 101 102 102 103 104 105 104 105 105 41 42 46 106 46 106 106 43 44 47 107 47 107 107 45 48 108 48 108 108 46 109 110 109 110 110 45 111 112 111 112 112 113 114 115 114 115 115 49 50 135 50 135 135 116 117 118 117 118 118 119 120 121 120 121 121 52 53 56 122 56 122 122 54 57 123 57 123 123 55 58 59 58 59 59 54 124 125 124 125 125 126 127 128 127 128 128 129 130 131 132 133 132 133 133 123.4851 122.336 114.1789 115.2428 104.0286 104.0257 106.9938 106.99 119.9949 110.3601 110.3782 112.1266 113.0219 102.1328 108.5946 131.9307 119.1818 121.7386 119.0564 119.872 119.698 120.4299 120.2457 120.2666 119.4878 123.776 113.6479 122.5761 109.135 105.8391 112.6837 117.779 108.3479 103.0625 114.1744 111.5253 109.581 118.0019 100.0852 101.6698 123.1471 103.6211 103.6225 103.9192 103.9194 119.9938 117.0476 103.9971 103.9902 106.2526 106.2514 119.9934 115.1434 113.9796 105.197 110.5567 109.7224 101.069 119.451 106.0119 106.2277 107.6137 105.3254 112.356 116.7022 107.5023 106.4896 110.7366 103.1476 112.2348 119.207 113.329 100.4978 106.3749 109.3153 107.4795 117.8971 109.4726 109.4771 109.4716 109.4708 109.4717 109.4635 109.4725 109.4739 109.4659 109.4771 109.471 109.467 116.823 106.5592 106.5499 103.7735 103.7755 119.9992 121.9141 127.5028 110.5831 122.1034 110.9336 109.5105 105.9066 107.6272 107.8027 115.0715 109.4676 113.687 111.1009 106.3407 107.6892 113.7473 106.9835 110.8646 111.4013 103.5056 115.1922 113.8161 106.0134 107.066 112.7742 111.265 108.5578 113.0124 106.2852 104.3698 111.9482 109.3433 110.1561 110.7664 109.8496 104.5216 109.4667 118.2738 116.5657 98.1296 111.9081 103.3278 105.6514 109.4669 109.4748 109.4718 109.4678 109.472 109.474 109.4701 109.4733 109.4733 109.4685 109.4738 109.4683 122.3785 107.0583 116.311 103.9191 109.3421 111.575 108.5755 109.4733 109.471 109.4737 109.4652 109.4745 109.4696 109.4679 109.4708 109.4673 109.4742 109.4705 109.4766 119.067 111.8415 113.2267 102.2445 107.2268 109.021 113.2735 112.4248 111.7364 107.3347 106.3793 113.3876 107.4859 110.3084 112.7003 112.3445 107.8569 113.2587 106.5835 103.332 114.4133 105.9544 105.9527 105.469 105.4678 120.0025 108.5266 106.883 106.8797 107.0801 107.0745 120.0004 109.4723 109.4664 109.4672 109.4721 109.4791 109.4703 115.8419 117.2433 100.1602 112.8442 104.6806 103.3295 109.4689 109.4663 109.4702 109.474 109.4756 109.4724 109.4726 109.4682 109.4744 109.4678 109.4735 109.4707 115.1425 110.2903 107.7431 107.3791 112.7016 108.3842 110.2138 111.6666 110.043 110.3073 110.7394 109.9227 103.8935 110.1804 108.9606 111.3981 108.6525 110.7143 106.8248 112.6711 106.0283 106.0219 106.1548 106.1569 120.0021 109.4676 109.4715 109.4687 109.4772 109.4673 109.4749 109.4723 109.4714 109.4676 109.4683 109.4661 109.4744 109.4751 109.4758 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 6 6 6 60 60 60 2 2 60 60 1 1 1 61 61 61 62 62 62 2 39 63 2 2 2 4 4 4 63 63 63 3 3 4 4 4 19 19 19 1 1 64 64 6 6 65 65 7 7 7 66 66 66 8 8 8 40 40 40 67 67 67 8 10 67 9 9 9 20 20 20 68 68 68 9 9 9 11 11 11 68 68 68 10 10 10 69 69 69 70 70 70 5 5 5 71 71 71 72 72 72 12 12 12 26 26 26 73 73 73 12 14 73 13 13 13 17 17 17 74 74 74 13 16 74 11 11 11 21 21 21 75 75 75 11 11 11 16 16 16 75 75 75 14 15 76 14 14 14 15 15 83 83 84 84 16 16 16 24 31 86 24 24 24 27 27 27 86 86 86 25 25 25 27 27 27 38 38 38 88 88 88 27 27 27 29 29 29 88 88 88 28 28 28 36 36 36 89 89 89 28 30 89 29 29 29 33 33 33 90 90 90 29 29 29 31 31 31 90 90 90 25 30 91 30 30 30 35 35 35 134 134 134 30 30 30 34 34 34 134 134 134 29 29 29 36 55 99 36 36 36 51 51 51 99 99 99 9 9 9 40 46 106 40 40 40 42 42 42 106 106 106 41 41 41 42 42 42 47 47 47 107 107 107 42 42 42 44 44 44 107 107 107 43 43 43 48 48 48 108 108 108 43 43 43 45 45 45 108 108 108 44 44 44 109 109 109 110 110 110 44 44 44 50 50 50 135 135 135 44 44 44 49 49 49 135 135 135 37 37 37 51 51 51 56 56 56 122 122 122 51 51 51 53 53 53 122 122 122 52 52 52 57 57 57 123 123 123 52 54 123 53 53 53 58 58 58 59 59 59 53 55 59 53 53 53 55 55 55 58 58 58 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 16 16 16 17 17 17 21 21 21 21 21 21 24 24 24 25 25 25 25 25 25 25 25 25 25 25 25 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 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 31 31 31 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 36 36 36 37 37 37 37 37 37 37 37 37 37 37 37 40 40 40 41 41 41 41 41 41 41 41 41 41 41 41 42 42 42 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 45 45 45 45 45 45 45 45 45 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 51 51 51 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 53 53 53 53 53 53 53 53 53 53 53 53 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 2 2 2 2 2 2 6 6 6 6 3 3 3 3 3 3 3 3 3 4 4 4 39 39 39 39 39 39 39 39 39 5 5 12 12 12 12 12 12 7 7 7 7 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 40 40 40 11 11 11 11 11 11 11 11 11 20 20 20 20 20 20 20 20 20 15 15 15 15 15 15 15 15 15 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 26 26 26 16 16 16 16 16 16 16 16 16 17 17 17 16 16 16 16 16 16 16 16 16 21 21 21 21 21 21 21 21 21 24 24 24 18 18 18 22 22 22 22 22 22 25 25 25 27 27 27 31 31 31 31 31 31 31 31 31 28 28 28 29 29 29 29 29 29 29 29 29 38 38 38 38 38 38 38 38 38 30 30 30 30 30 30 30 30 30 36 36 36 31 31 31 31 31 31 31 31 31 33 33 33 33 33 33 33 33 33 32 32 32 34 34 34 34 34 34 34 34 34 35 35 35 35 35 35 35 35 35 37 37 37 51 51 51 55 55 55 55 55 55 55 55 55 41 41 41 42 42 42 46 46 46 46 46 46 46 46 46 43 43 43 44 44 44 44 44 44 44 44 44 47 47 47 47 47 47 47 47 47 45 45 45 45 45 45 45 45 45 48 48 48 48 48 48 48 48 48 46 46 46 46 46 46 46 46 46 49 49 49 49 49 49 49 49 49 50 50 50 50 50 50 50 50 50 52 52 52 53 53 53 53 53 53 53 53 53 56 56 56 56 56 56 56 56 56 54 54 54 54 54 54 54 54 54 57 57 57 55 55 55 55 55 55 55 55 55 58 58 58 59 59 59 59 59 59 59 59 59 3 61 62 3 61 62 7 64 7 64 4 39 63 4 39 63 4 39 63 5 5 5 103 104 105 103 104 105 103 104 105 12 19 13 71 72 13 71 72 8 65 8 65 9 66 9 66 10 40 67 10 40 67 11 20 68 11 20 68 11 20 68 41 41 41 15 69 70 15 69 70 15 69 70 80 81 82 80 81 82 80 81 82 16 21 75 16 21 75 16 21 75 14 26 73 14 26 73 14 26 73 16 17 74 16 17 74 16 17 74 87 87 87 15 24 76 15 24 76 15 24 76 18 18 18 14 24 76 14 24 76 14 24 76 22 83 84 22 83 84 22 83 84 25 25 25 77 78 79 23 85 23 85 23 85 27 31 86 28 28 28 30 32 91 30 32 91 30 32 91 29 38 88 30 36 89 30 36 89 30 36 89 100 101 102 100 101 102 100 101 102 31 33 90 31 33 90 31 33 90 37 37 37 25 32 91 25 32 91 25 32 91 34 35 134 34 35 134 34 35 134 92 92 92 93 94 95 93 94 95 93 94 95 96 97 98 96 97 98 96 97 98 51 55 99 52 52 52 54 124 125 54 124 125 54 124 125 42 46 106 43 43 43 45 111 112 45 111 112 45 111 112 44 47 107 45 48 108 45 48 108 45 48 108 113 114 115 113 114 115 113 114 115 46 109 110 46 109 110 46 109 110 49 50 135 49 50 135 49 50 135 41 111 112 41 111 112 41 111 112 116 117 118 116 117 118 116 117 118 119 120 121 119 120 121 119 120 121 53 56 122 54 57 123 54 57 123 54 57 123 126 127 128 126 127 128 126 127 128 55 58 59 55 58 59 55 58 59 129 129 129 37 124 125 37 124 125 37 124 125 130 130 130 131 132 133 131 132 133 131 132 133 171.6214 -71.5797 54.8291 -8.3822 108.4167 -125.1746 -164.9427 15.0524 15.0607 -164.9442 -44.2284 -169.8794 68.9065 -159.3362 75.0128 -46.2013 70.8733 -54.7777 -175.9918 -172.654 -48.5114 67.9586 -85.8305 34.1708 154.1747 150.0368 -89.9619 30.0421 37.4612 157.4625 -82.5335 -172.2861 5.9441 -45.8068 71.0094 -162.6167 135.915 -107.2688 19.1051 123.0339 -56.9714 -56.9611 123.0336 -155.7533 24.2472 24.252 -155.7476 70.407 -161.9149 -50.0009 -109.5935 18.0846 129.9986 -85.9281 50.9803 162.7628 153.4545 -69.6371 42.1454 37.1054 174.0139 -74.2037 -154.3775 -32.063 87.1109 121.7617 -121.2461 4.768 -12.2018 104.7904 -129.1954 -121.3046 -4.3124 121.7018 -173.9313 -53.9217 66.0715 -38.8329 81.1767 -158.8301 69.3677 -170.6227 -50.6295 89.4732 -145.4834 -25.0102 -27.3751 97.6682 -141.8585 -153.6765 -28.6331 91.8402 148.1048 18.8109 -90.9786 32.5279 -96.7661 153.4444 -96.3277 134.3784 24.5888 -54.6766 66.8951 -173.3919 76.2807 -162.1476 -42.4346 -173.0935 -51.5218 68.1912 61.1402 -70.4234 173.434 -46.4073 -172.7659 72.8666 -167.179 66.4624 -47.9051 72.7689 -53.5897 -167.9572 88.7237 -142.3888 -26.8953 -101.3806 28.1982 143.966 135.225 -95.1961 20.5717 14.964 144.5429 -99.6894 167.2963 -77.32 51.9165 -64.1541 51.2296 -179.534 50.5244 165.9081 -64.8555 -57.7509 169.3585 52.3597 167.2807 -72.7153 47.279 -91.5941 88.4059 151.4842 -28.5157 25.3175 -154.6824 -41.508 -160.1616 75.197 172.9852 -67.2299 57.4519 176.5798 -60.2864 54.0402 55.8955 179.0293 -66.6441 -64.2914 58.8424 173.169 64.4803 -171.2593 -52.3724 -48.6237 -171.3192 72.1598 -168.5733 68.7313 -47.7897 68.6601 -54.0354 -170.5564 -61.415 58.5787 178.5782 61.1911 -178.8151 -58.8157 -178.1982 -58.2045 61.7949 40.8056 169.0015 -76.6948 157.368 -74.436 39.8676 -85.2179 42.978 157.2817 -169.3054 69.6157 -47.1877 -45.3095 -167.635 77.4044 -172.5868 65.0878 -49.8728 73.5228 -48.8026 -163.7632 -75.317 146.7288 34.6354 52.7508 -85.2034 162.7032 167.795 29.8408 -82.2526 125.609 -110.5585 7.6932 116.096 -123.9086 -3.9026 -104.1178 15.8776 135.8835 9.0923 129.0877 -110.9063 140.536 -99.4668 20.5322 0.0103 120.0076 -119.9934 -111.7489 8.2483 128.2473 -174.7985 62.6394 -56.6134 -66.2635 60.5407 -179.3371 67.6402 -176.6553 -48.0629 -53.7182 61.9862 -169.4213 -175.6628 -59.9583 68.6341 -53.0908 -174.3698 63.4143 163.1813 -72.1312 50.8565 -172.9278 -57.7506 71.9032 63.2284 178.4056 -51.9407 -57.0905 58.0867 -172.2595 59.8004 -175.3023 -57.2219 -40.2315 -169.6317 77.1428 -161.691 68.9087 -44.3168 76.1206 -53.2797 -166.5052 -23.0348 96.9639 -143.0426 100.8605 -139.1408 -19.1473 -138.5345 -18.5357 101.4577 36.3701 152.1175 -79.3747 165.2985 -78.9541 49.5537 -81.7544 33.9931 162.5009 -166.3436 56.3869 -54.4507 64.546 -72.7236 176.4388 -50.3594 172.3711 61.5335 -47.4959 -162.5448 67.5462 -163.5247 81.4265 -48.4826 68.5299 -46.5189 -176.428 52.6378 172.6367 -67.3656 -168.2535 -48.2546 71.7432 -56.6007 63.3983 -176.604 -112.6814 7.3134 127.3129 108.8226 -131.1826 -11.183 -3.6615 116.3333 -123.6671 -60.8548 175.7568 57.0532 53.1987 176.6026 -69.3469 173.654 -62.9421 51.1084 -64.0889 59.315 173.3656 113.896 -126.0987 -6.0955 -8.0101 111.9952 -128.0016 -129.2315 -9.2262 110.777 -48.5008 70.6142 -171.7832 -171.5092 -52.3942 65.2084 74.2645 -166.6204 -49.0178 -154.5485 -30.6047 87.3651 49.2214 -66.4071 164.8434 -70.0814 174.2901 45.5407 172.9018 57.2733 -71.4761 159.4455 -80.4909 38.9868 6.2271 126.2269 -113.7724 -116.7503 3.2495 123.2502 125.1134 -114.8868 5.1139 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 135 1.00e+00 60 T Berny optimization. local minimum Step number 96 out of a maximum of 804 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00082 0.00136 0.00202 0.00216 0.00231 0.00232 0.00238 0.00247 0.00255 0.00288 0.00334 0.00338 0.00371 0.00406 0.00430 0.00436 0.00452 0.00482 0.00510 0.00539 0.00591 0.00610 0.00629 0.00653 0.00679 0.00705 0.00790 0.00918 0.00948 0.00998 0.01033 0.01052 0.01164 0.01192 0.01253 0.01311 0.01318 0.01375 0.01416 0.01567 0.01691 0.01782 0.01923 0.02033 0.02206 0.02366 0.02437 0.02483 0.02543 0.02609 0.02761 0.02779 0.02831 0.02921 0.02942 0.03113 0.03181 0.03246 0.03404 0.03473 0.03576 0.03723 0.03744 0.03909 0.03921 0.04010 0.04029 0.04070 0.04100 0.04108 0.04190 0.04222 0.04338 0.04354 0.04419 0.04461 0.04504 0.04530 0.04595 0.04643 0.04729 0.04754 0.04772 0.04822 0.04849 0.04869 0.04915 0.04956 0.05019 0.05046 0.05085 0.05123 0.05137 0.05199 0.05202 0.05228 0.05272 0.05297 0.05319 0.05360 0.05387 0.05406 0.05444 0.05489 0.05492 0.05516 0.05524 0.05558 0.05566 0.05605 0.05616 0.05641 0.05658 0.05665 0.05681 0.05809 0.05824 0.05879 0.05890 0.05914 0.05953 0.06015 0.06020 0.06071 0.06099 0.06150 0.06190 0.06298 0.06299 0.06390 0.06525 0.06765 0.06939 0.07013 0.07139 0.07208 0.07353 0.07391 0.07624 0.07754 0.07811 0.07856 0.07880 0.07926 0.08147 0.08263 0.08371 0.08402 0.08641 0.08684 0.08776 0.09038 0.09117 0.09483 0.09574 0.09621 0.09769 0.09858 0.10030 0.10323 0.10412 0.10467 0.10653 0.10777 0.11300 0.11697 0.12288 0.12992 0.13049 0.13346 0.13423 0.13858 0.14131 0.14161 0.14585 0.14650 0.15067 0.15440 0.15502 0.15626 0.15754 0.15820 0.15829 0.15863 0.15889 0.15907 0.15925 0.15936 0.15942 0.15952 0.15960 0.15973 0.15988 0.15991 0.15996 0.15997 0.16000 0.16001 0.16003 0.16005 0.16011 0.16015 0.16026 0.16035 0.16038 0.16044 0.16049 0.16062 0.16079 0.16114 0.16137 0.16190 0.16227 0.16272 0.16316 0.16351 0.16422 0.16463 0.16621 0.16932 0.17184 0.17462 0.17547 0.17722 0.17879 0.18147 0.18163 0.18436 0.18549 0.18585 0.18800 0.18881 0.19201 0.19322 0.19555 0.19743 0.19794 0.20097 0.20230 0.20352 0.20690 0.20906 0.21089 0.21500 0.21670 0.21880 0.22178 0.22438 0.22793 0.23007 0.23214 0.23306 0.23983 0.24165 0.24511 0.24675 0.24908 0.25031 0.25284 0.25386 0.25573 0.25939 0.26140 0.26215 0.26357 0.26535 0.26704 0.26767 0.26870 0.26996 0.27190 0.27289 0.27549 0.27691 0.27833 0.27906 0.28002 0.28407 0.28693 0.28940 0.29256 0.29870 0.31549 0.31668 0.32043 0.32436 0.32999 0.33197 0.33581 0.33797 0.33935 0.34123 0.34300 0.34474 0.34530 0.34575 0.34636 0.34665 0.34712 0.34726 0.34742 0.34754 0.34765 0.34768 0.34775 0.34782 0.34788 0.34791 0.34798 0.34799 0.34801 0.34805 0.34806 0.34807 0.34807 0.34809 0.34809 0.34810 0.34811 0.34811 0.34811 0.34812 0.34813 0.34813 0.34813 0.34815 0.34816 0.34817 0.34818 0.34818 0.34819 0.34823 0.34823 0.34825 0.34826 0.34828 0.34828 0.34830 0.34835 0.34841 0.34844 0.34849 0.34855 0.34862 0.34870 0.34879 0.34891 0.34911 0.34921 0.34933 0.34966 0.34973 0.35015 0.35029 0.35059 0.35074 0.35136 0.35138 0.35306 0.35495 0.35684 0.35903 0.36215 0.36682 0.37201 0.37274 0.37365 0.37554 0.37653 0.38007 0.38131 0.38335 0.38552 0.38640 0.38914 0.39068 0.39577 0.40249 0.40510 0.41276 0.41962 0.42430 0.43010 0.43806 0.44527 0.45805 0.45909 0.48359 0.49606 0.51923 0.55176 0.55480 0.55524 0.55567 0.56122 0.56297 0.72840 0.82134 0.82953 -2.78373173e-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 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 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 2.84120 2.53912 2.06047 2.91356 2.07543 2.07140 2.77451 2.87397 2.06617 2.56116 2.86210 2.29512 2.75227 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1.94220 1.89812 1.92251 1.93974 1.88021 1.96341 1.91559 1.87686 1.91320 1.96532 1.87574 1.91707 1.91421 1.86694 1.88752 1.94233 1.92531 1.92584 1.93555 1.94699 1.88040 1.96473 1.90401 1.82669 1.89642 1.94790 1.84650 1.90913 1.92339 1.93943 1.85267 2.00295 1.95740 1.85007 1.92340 1.86509 1.85485 1.88081 1.89754 1.91930 1.92351 1.91145 1.93054 1.88615 1.89776 1.89329 1.92334 1.93622 1.92596 2.05565 1.93120 1.93389 1.90684 1.96059 1.81899 1.90840 1.93044 1.91397 1.92635 1.89545 1.90147 1.89551 1.91621 1.92998 1.93081 1.89027 1.89320 1.90250 2.01121 1.87859 1.90460 1.94807 1.91525 1.88283 1.93348 1.98750 1.85618 1.86425 1.90759 2.00241 1.91247 1.91775 1.93292 1.95752 1.86592 1.96685 1.91820 1.81599 1.91093 1.94280 1.92079 1.90882 1.90416 1.87572 1.93069 1.91697 1.88136 1.91895 1.93109 1.88385 1.93634 1.90002 1.96202 1.89192 1.90339 1.86768 1.96143 2.01214 1.83945 1.93254 1.84558 1.85919 1.89746 1.88684 1.90446 1.92335 1.93109 1.91985 1.88274 1.91345 1.90263 1.91709 1.91874 1.92854 2.02920 1.93755 1.86192 1.89360 1.95204 1.88240 1.93609 1.94454 1.91094 1.90155 1.92906 1.90428 1.87182 1.90529 1.80473 1.94702 1.94887 1.93460 1.91984 2.01099 1.86387 1.90035 1.89060 1.92529 1.86652 1.92613 1.90513 1.95062 1.89764 1.89288 1.89041 1.83164 1.89625 1.94079 1.92632 1.91990 1.88280 1.89457 1.89840 2.01986 -2.17409 -0.10811 -1.01220 1.07704 -3.14016 -2.92617 0.08838 0.10337 3.11792 -0.74548 -2.86552 1.25491 -2.88572 1.27743 -0.88533 1.38466 -0.73539 -2.89814 2.57281 -1.55782 0.52547 -1.01609 1.06868 -3.10502 -3.09792 -1.01316 1.09633 1.14582 -3.05259 -0.94310 -2.75384 0.28070 -0.69324 1.42423 -2.86334 2.55664 -1.60907 0.38654 2.87729 -0.13806 -0.14034 3.12749 -2.94623 0.12263 0.06517 3.13403 1.96479 -2.25716 -0.22308 -1.10632 0.95492 2.98900 -1.63041 0.65343 2.65382 2.61603 -1.38332 0.61707 0.55314 2.83698 -1.44581 2.50329 -1.64499 0.44546 0.71308 2.88934 -1.44516 -1.57450 0.60176 2.55045 2.70534 -1.40158 0.54710 2.92458 -1.26946 0.85018 -1.02922 1.05992 -3.10363 0.95278 3.04193 -1.12162 2.38852 -1.77504 0.31960 0.23958 2.35921 -1.82934 -1.73124 0.38839 2.48303 -3.10318 1.04926 -1.08168 1.11118 -1.01956 3.13268 -0.94557 -3.07631 1.07593 -0.88221 1.20344 -3.01011 1.30983 -2.88770 -0.81807 -2.92768 -0.84203 1.22759 -0.68125 -2.84969 1.43327 -1.11718 3.05581 1.02374 3.06605 0.95586 -1.07622 0.99765 -1.11254 3.13857 1.60356 -2.48778 -0.43495 -1.36319 0.75921 2.78442 2.80230 -1.35848 0.66672 0.74089 2.86329 -1.39469 2.83064 -1.30317 0.70836 -1.30018 0.84919 2.86072 0.72964 2.87902 -1.39264 -1.71465 2.36479 0.32505 -3.11552 -1.03745 1.09144 -0.02364 3.13572 -2.20291 0.95645 2.15172 -0.97211 -1.37274 2.86652 0.75410 3.10642 -1.16197 0.96776 3.10504 -1.07155 1.04006 1.05508 -3.12150 -1.00990 -1.06414 1.04246 -3.12912 1.10286 -3.03695 -0.95348 -0.94044 -3.04900 1.15991 -3.03060 1.14403 -0.93024 1.13906 -0.96950 -3.04377 -1.05497 1.03508 3.12266 1.05747 -3.13566 -1.04809 -3.13596 -1.04591 1.04167 0.89622 3.10128 -1.18637 2.95853 -1.11960 0.87593 -1.18100 1.02406 3.01959 -2.44547 1.74714 -0.39622 -0.94953 -3.07989 1.06620 3.13847 1.00811 -1.12898 1.11883 -1.01153 3.13456 -1.46702 2.60390 0.58693 0.72195 -1.49031 2.77590 2.78758 0.57532 -1.44165 0.94252 3.04168 -1.11402 2.96026 -1.23824 0.87777 -1.09334 0.99135 3.10736 0.91484 2.99953 -1.16764 -3.08471 -0.99704 1.09791 0.94401 3.03167 -1.15656 -1.07064 1.01703 3.11198 -1.61164 2.48498 0.38128 -1.29282 0.87859 2.94267 1.34725 -2.83561 -0.82593 -0.82267 1.27765 -2.99585 -2.83317 -0.73285 1.27683 -1.30746 2.89825 0.75543 3.10043 -1.11210 0.99595 3.00689 -1.15486 0.89349 0.95237 3.07381 -1.16103 -1.12478 0.99666 3.04501 1.12966 -3.00741 -0.93349 -1.03697 3.03230 1.05245 -3.09368 0.97558 -1.00426 1.02296 -1.19096 3.11238 -1.12955 0.95094 3.01709 0.92259 3.00308 -1.21395 3.08633 -1.11637 0.94978 0.95475 3.06733 -1.13814 -3.11969 -1.00710 1.07062 -1.10304 1.00955 3.08727 -2.87102 1.17537 -0.86928 1.21663 -1.02016 -3.06481 -0.86056 -3.09736 1.14118 -0.90350 -3.02377 1.18016 -3.03654 1.12638 -0.95288 1.19955 -0.92072 -2.99998 0.90803 2.99592 -1.19958 -3.09711 -1.00921 1.07847 -1.08998 0.99792 3.08560 -2.99672 -0.90961 1.20353 1.03536 3.12247 -1.04758 -0.96323 1.12388 -3.04617 -0.96271 -3.09351 1.10283 0.96418 3.10343 -1.13764 3.04162 -1.10232 0.93979 -1.10812 1.03113 3.07324 1.00515 3.08967 -1.10279 -1.11649 0.96804 3.05876 3.06427 -1.13439 0.95633 -0.90388 1.17277 -3.04789 -3.03267 -0.95603 1.10650 1.19635 -3.01019 -0.94767 -1.42021 0.72823 2.80223 0.84365 -1.24197 3.00373 -1.14096 3.05661 1.01913 2.99506 0.90944 -1.12804 2.96542 -1.27148 0.88406 1.10935 -3.08495 -0.99005 -1.01782 1.07106 -3.11723 3.10151 -1.09279 1.00211 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000043 0.000009 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -3.448344e-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 1 1 1 2 2 2 3 3 3 4 5 5 6 6 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 17 18 18 18 20 20 20 21 21 21 22 22 24 25 25 25 26 27 28 28 28 29 29 29 30 30 30 31 31 32 33 33 33 34 34 34 35 35 35 36 37 37 37 38 38 38 39 39 39 40 41 41 41 42 43 43 43 44 44 44 45 45 45 46 46 47 47 47 48 48 48 49 49 49 50 50 50 51 52 52 52 53 53 53 54 54 54 55 55 56 56 56 57 58 59 59 59 2 6 60 3 61 62 4 39 63 5 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1.0944 1.0927 1.0913 1.0945 1.0943 1.092 1.3863 1.4403 1.5221 1.1048 1.4254 1.5503 1.5235 1.1012 1.532 1.5331 1.0941 1.538 1.0927 1.0956 1.0934 1.0952 1.0941 1.0923 1.0946 1.506 1.505 1.0238 1.0889 1.0891 1.088 1.0891 1.0877 1.0876 1.4603 1.5408 1.5192 1.0966 1.5412 1.4212 1.0961 1.5355 1.4393 1.5313 1.0952 1.0943 1.0945 1.0917 1.0928 0.972 0.967 1.094 1.0956 1.0921 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 6 1 1 1 3 3 61 2 2 2 4 4 39 3 4 4 12 1 1 7 6 6 8 7 7 9 8 8 8 10 10 40 9 9 9 11 11 20 10 10 10 15 15 69 5 5 5 13 13 71 12 12 12 14 14 26 13 13 13 16 16 17 11 11 11 16 16 21 14 14 14 15 15 24 14 17 17 17 77 77 78 10 10 10 80 80 81 15 15 15 22 22 83 21 21 23 16 24 24 24 27 27 31 13 25 27 27 27 29 29 38 28 28 28 30 30 36 29 29 29 31 31 33 25 25 25 30 30 32 31 30 30 30 34 34 35 33 33 33 93 93 94 33 33 33 96 96 97 29 36 36 36 51 51 55 28 28 28 100 100 101 3 3 3 103 103 104 9 40 40 40 42 42 46 41 42 42 42 44 44 47 43 43 43 45 45 48 44 44 44 46 46 109 41 41 41 45 45 111 43 43 43 113 113 114 44 44 44 49 49 50 48 48 48 116 116 117 48 48 48 119 119 120 37 51 51 51 53 53 56 52 52 52 54 54 57 53 53 53 55 55 58 37 37 37 54 54 124 52 52 52 126 126 127 53 54 54 54 54 131 131 132 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 18 18 18 18 18 18 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 24 25 25 25 25 25 25 26 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 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 35 35 35 36 37 37 37 37 37 37 38 38 38 38 38 38 39 39 39 39 39 39 40 41 41 41 41 41 41 42 43 43 43 43 43 43 44 44 44 44 44 44 45 45 45 45 45 45 46 46 46 46 46 46 47 47 47 47 47 47 48 48 48 48 48 48 49 49 49 49 49 49 50 50 50 50 50 50 51 52 52 52 52 52 52 53 53 53 53 53 53 54 54 54 54 54 54 55 55 55 55 55 55 56 56 56 56 56 56 57 58 59 59 59 59 59 59 6 60 60 3 61 62 61 62 62 4 39 63 39 63 63 5 12 19 19 7 64 64 8 65 65 9 66 66 10 40 67 40 67 67 11 20 68 20 68 68 15 69 70 69 70 70 13 71 72 71 72 72 14 26 73 26 73 73 16 17 74 17 74 74 16 21 75 21 75 75 15 24 76 24 76 76 18 77 78 79 78 79 79 80 81 82 81 82 82 22 83 84 83 84 84 23 85 85 25 27 31 86 31 86 86 87 28 29 38 88 38 88 88 30 36 89 36 89 89 31 33 90 33 90 90 30 32 91 32 91 91 92 34 35 134 35 134 134 93 94 95 94 95 95 96 97 98 97 98 98 37 51 55 99 55 99 99 100 101 102 101 102 102 103 104 105 104 105 105 41 42 46 106 46 106 106 43 44 47 107 47 107 107 45 48 108 48 108 108 46 109 110 109 110 110 45 111 112 111 112 112 113 114 115 114 115 115 49 50 135 50 135 135 116 117 118 117 118 118 119 120 121 120 121 121 52 53 56 122 56 122 122 54 57 123 57 123 123 55 58 59 58 59 59 54 124 125 124 125 125 126 127 128 127 128 128 129 130 131 132 133 132 133 133 122.9409 117.1845 119.5794 112.651 111.5909 109.5495 106.4696 109.3295 107.0524 106.4856 113.2924 110.1117 110.339 106.1082 110.1995 118.1658 112.1778 123.2663 124.2481 125.7046 118.3366 115.5923 121.4318 117.5027 120.6634 127.1573 118.1726 114.553 114.1998 105.3586 110.2318 107.8006 110.7003 108.2249 116.9171 112.15 103.8536 111.6873 104.5398 106.515 120.2278 106.137 108.0433 109.4181 107.4212 104.5311 118.7121 103.7592 107.5922 109.1828 109.0492 108.0423 111.5924 113.8473 108.0074 107.633 105.7493 109.7041 116.3366 107.9613 107.2852 106.4383 108.7014 110.054 112.4294 109.1161 109.9932 109.3103 106.5327 109.401 116.1756 108.5634 108.2145 107.2491 108.7978 107.5348 114.8113 106.863 112.1877 111.4693 108.7191 108.9685 108.5489 109.7959 111.5454 111.1942 108.0125 107.5127 108.6421 117.6993 110.3886 111.2819 106.9713 105.2815 104.25 126.1612 114.1404 119.6907 116.9406 109.2709 106.1317 111.2796 108.754 110.1516 111.139 107.7279 112.4953 109.7555 107.5362 109.618 112.6048 107.472 109.8403 109.6762 106.968 108.1467 111.2872 110.3121 110.3424 110.8989 111.5545 107.739 112.571 109.092 104.6615 108.657 111.6064 105.7964 109.3853 110.2022 111.121 106.15 114.7606 112.1505 106.0012 110.2028 106.8619 106.2751 107.7626 108.7211 109.9676 110.2092 109.5177 110.6118 108.0687 108.7335 108.4778 110.1995 110.9374 110.3494 117.78 110.6496 110.8035 109.2537 112.3333 104.2203 109.3436 110.6062 109.6624 110.3718 108.6015 108.9459 108.6048 109.7908 110.5796 110.6272 108.3044 108.4726 109.0053 115.2337 107.6353 109.1257 111.6161 109.7359 107.8785 110.78 113.8757 106.3515 106.8137 109.2969 114.7296 109.5763 109.8791 110.7483 112.1575 106.9094 112.692 109.9048 104.0483 109.488 111.3141 110.0533 109.3671 109.1004 107.471 110.6204 109.8345 107.7938 109.9479 110.6431 107.9368 110.9442 108.863 112.4155 108.3991 109.0562 107.0104 112.3817 115.2874 105.3925 110.7264 105.7438 106.5237 108.7164 108.1081 109.1173 110.1997 110.6433 109.9992 107.8733 109.6324 109.0128 109.8414 109.9358 110.4971 116.2644 111.0134 106.6801 108.4952 111.8436 107.8535 110.9295 111.4138 109.4886 108.951 110.527 109.1074 107.2471 109.165 103.4034 111.5562 111.662 110.8444 109.9986 115.2212 106.7918 108.8818 108.3236 110.3108 106.9437 110.3593 109.1561 111.7622 108.7267 108.4539 108.3123 104.9455 108.6474 111.1993 110.3701 110.0021 107.8764 108.5508 108.7704 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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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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 6 6 6 60 60 60 2 2 60 60 1 1 1 61 61 61 62 62 62 2 39 63 2 2 2 4 4 4 63 63 63 3 3 4 4 4 19 19 19 1 1 64 64 6 6 65 65 7 7 7 66 66 66 8 8 8 40 40 40 67 67 67 8 10 67 9 9 9 20 20 20 68 68 68 9 9 9 11 11 11 68 68 68 10 10 10 69 69 69 70 70 70 5 5 5 71 71 71 72 72 72 12 12 12 26 26 26 73 73 73 12 14 73 13 13 13 17 17 17 74 74 74 13 16 74 11 11 11 21 21 21 75 75 75 11 11 11 16 16 16 75 75 75 14 15 76 14 14 14 15 15 83 83 84 84 16 16 16 24 31 86 24 24 24 27 27 27 86 86 86 25 25 25 27 27 27 38 38 38 88 88 88 27 27 27 29 29 29 88 88 88 28 28 28 36 36 36 89 89 89 28 30 89 29 29 29 33 33 33 90 90 90 29 29 29 31 31 31 90 90 90 25 30 91 30 30 30 35 35 35 134 134 134 30 30 30 34 34 34 134 134 134 29 29 29 36 55 99 36 36 36 51 51 51 99 99 99 9 9 9 40 46 106 40 40 40 42 42 42 106 106 106 41 41 41 42 42 42 47 47 47 107 107 107 42 42 42 44 44 44 107 107 107 43 43 43 48 48 48 108 108 108 43 43 43 45 45 45 108 108 108 44 44 44 109 109 109 110 110 110 44 44 44 50 50 50 135 135 135 44 44 44 49 49 49 135 135 135 37 37 37 51 51 51 56 56 56 122 122 122 51 51 51 53 53 53 122 122 122 52 52 52 57 57 57 123 123 123 52 54 123 53 53 53 58 58 58 59 59 59 53 55 59 53 53 53 55 55 55 58 58 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 16 16 16 17 17 17 21 21 21 21 21 21 24 24 24 25 25 25 25 25 25 25 25 25 25 25 25 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 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 31 31 31 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 36 36 36 37 37 37 37 37 37 37 37 37 37 37 37 40 40 40 41 41 41 41 41 41 41 41 41 41 41 41 42 42 42 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 45 45 45 45 45 45 45 45 45 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 51 51 51 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 53 53 53 53 53 53 53 53 53 53 53 53 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 2 2 2 2 2 2 6 6 6 6 3 3 3 3 3 3 3 3 3 4 4 4 39 39 39 39 39 39 39 39 39 5 5 12 12 12 12 12 12 7 7 7 7 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 40 40 40 11 11 11 11 11 11 11 11 11 20 20 20 20 20 20 20 20 20 15 15 15 15 15 15 15 15 15 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 26 26 26 16 16 16 16 16 16 16 16 16 17 17 17 16 16 16 16 16 16 16 16 16 21 21 21 21 21 21 21 21 21 24 24 24 18 18 18 22 22 22 22 22 22 25 25 25 27 27 27 31 31 31 31 31 31 31 31 31 28 28 28 29 29 29 29 29 29 29 29 29 38 38 38 38 38 38 38 38 38 30 30 30 30 30 30 30 30 30 36 36 36 31 31 31 31 31 31 31 31 31 33 33 33 33 33 33 33 33 33 32 32 32 34 34 34 34 34 34 34 34 34 35 35 35 35 35 35 35 35 35 37 37 37 51 51 51 55 55 55 55 55 55 55 55 55 41 41 41 42 42 42 46 46 46 46 46 46 46 46 46 43 43 43 44 44 44 44 44 44 44 44 44 47 47 47 47 47 47 47 47 47 45 45 45 45 45 45 45 45 45 48 48 48 48 48 48 48 48 48 46 46 46 46 46 46 46 46 46 49 49 49 49 49 49 49 49 49 50 50 50 50 50 50 50 50 50 52 52 52 53 53 53 53 53 53 53 53 53 56 56 56 56 56 56 56 56 56 54 54 54 54 54 54 54 54 54 57 57 57 55 55 55 55 55 55 55 55 55 58 58 58 59 59 59 59 59 59 59 59 3 61 62 3 61 62 7 64 7 64 4 39 63 4 39 63 4 39 63 5 5 5 103 104 105 103 104 105 103 104 105 12 19 13 71 72 13 71 72 8 65 8 65 9 66 9 66 10 40 67 10 40 67 11 20 68 11 20 68 11 20 68 41 41 41 15 69 70 15 69 70 15 69 70 80 81 82 80 81 82 80 81 82 16 21 75 16 21 75 16 21 75 14 26 73 14 26 73 14 26 73 16 17 74 16 17 74 16 17 74 87 87 87 15 24 76 15 24 76 15 24 76 18 18 18 14 24 76 14 24 76 14 24 76 22 83 84 22 83 84 22 83 84 25 25 25 77 78 79 23 85 23 85 23 85 27 31 86 28 28 28 30 32 91 30 32 91 30 32 91 29 38 88 30 36 89 30 36 89 30 36 89 100 101 102 100 101 102 100 101 102 31 33 90 31 33 90 31 33 90 37 37 37 25 32 91 25 32 91 25 32 91 34 35 134 34 35 134 34 35 134 92 92 92 93 94 95 93 94 95 93 94 95 96 97 98 96 97 98 96 97 98 51 55 99 52 52 52 54 124 125 54 124 125 54 124 125 42 46 106 43 43 43 45 111 112 45 111 112 45 111 112 44 47 107 45 48 108 45 48 108 45 48 108 113 114 115 113 114 115 113 114 115 46 109 110 46 109 110 46 109 110 49 50 135 49 50 135 49 50 135 41 111 112 41 111 112 41 111 112 116 117 118 116 117 118 116 117 118 119 120 121 119 120 121 119 120 121 53 56 122 54 57 123 54 57 123 54 57 123 126 127 128 126 127 128 126 127 128 55 58 59 55 58 59 55 58 59 129 129 129 37 124 125 37 124 125 37 124 125 130 130 130 131 132 133 131 132 133 131 132 115.7293 -124.5661 -6.1942 -57.9946 61.7099 -179.9181 -167.6574 5.0637 5.9226 178.6437 -42.713 -164.1824 71.901 -165.3396 73.1911 -50.7255 79.3349 -42.1345 -166.0511 147.4112 -89.2563 30.1072 -58.2178 61.2306 -177.9045 -177.498 -58.0495 62.8153 65.6508 -174.9007 -54.0359 -157.7836 16.0829 -39.7196 81.6024 -164.0574 146.4848 -92.1932 22.147 164.8566 -7.9104 -8.0408 179.1922 -168.8065 7.0263 3.7337 179.5666 112.5745 -129.3256 -12.7814 -63.3871 54.7128 171.257 -93.4156 37.4386 152.0527 149.8874 -79.2585 35.3556 31.6928 162.5469 -82.839 143.4279 -94.2509 25.523 40.8563 165.5468 -82.8018 -90.2124 34.4782 146.1295 155.0044 -80.3051 31.3462 167.5663 -72.7344 48.7117 -58.9699 60.7294 -177.8245 54.5905 174.2898 -64.264 136.8522 -101.7021 18.3121 13.7271 135.1729 -104.813 -99.1926 22.2531 142.2673 -177.7992 60.1184 -61.9756 63.6659 -58.4165 179.4894 -54.1771 -176.2595 61.6464 -50.5468 68.9522 -172.4669 75.048 -165.4531 -46.8721 -167.7439 -48.2449 70.336 -39.0328 -163.2749 82.1202 -64.0098 175.0853 58.656 175.6716 54.7667 -61.6626 57.1611 -63.7439 179.8268 91.8769 -142.5394 -24.9211 -78.1053 43.4994 159.5353 160.5599 -77.8354 38.2005 42.4498 164.0545 -79.9096 162.1839 -74.6661 40.5858 -74.4951 48.655 163.9069 41.8054 164.9555 -79.7927 -98.2423 135.4927 18.6238 -178.506 -59.4417 62.5346 -1.3539 179.6638 -126.2168 54.8009 123.285 -55.6973 -78.6522 164.2395 43.2065 177.985 -66.5759 55.4487 177.9056 -61.3951 59.5909 60.4519 -178.8488 -57.8628 -60.9709 59.7284 -179.2856 63.1893 -174.0043 -54.6303 -53.8834 -174.6945 66.4582 -173.6405 65.5484 -53.299 65.2632 -55.548 -174.3953 -60.4454 59.306 178.9152 60.5885 -179.6601 -60.0509 -179.6774 -59.926 59.6832 51.3499 177.6902 -67.9739 169.511 -64.1486 50.1872 -67.6662 58.6741 173.0099 -140.1155 100.1034 -22.702 -54.4043 -176.4649 61.0885 179.8212 57.7606 -64.686 64.104 -57.9566 179.5968 -84.0542 149.1924 33.6285 41.3646 -85.3888 159.0473 159.7167 32.9633 -82.6006 54.0026 174.2754 -63.8288 169.6106 -70.9457 50.2929 -62.6437 56.8 178.0386 52.4167 171.8604 -66.901 -176.7409 -57.1266 62.9054 54.0872 173.7016 -66.2664 -61.3434 58.271 178.3029 -92.3401 142.3789 21.846 -74.0729 50.3396 168.6024 77.1917 -162.4688 -47.3223 -47.1356 73.204 -171.6496 -162.329 -41.9894 73.157 -74.9117 166.0574 43.2833 177.6417 -63.7185 57.0636 172.2822 -66.1684 51.1931 54.5668 176.1162 -66.5222 -64.4449 57.1046 174.4661 64.7248 -172.312 -53.4848 -59.4138 173.738 60.3012 -177.255 55.8968 -57.54 58.6113 -68.2368 178.3264 -64.7187 54.4848 172.8665 52.8605 172.064 -69.5543 176.8335 -63.963 54.4187 54.7029 175.7453 -65.2104 -178.7449 -57.7025 61.3418 -63.1993 57.8431 176.8874 -164.4972 67.3438 -49.8059 69.7079 -58.451 -175.6007 -49.3065 -177.4655 65.3848 -51.7665 -173.249 67.6183 -173.9809 64.5365 -54.5962 68.729 -52.7535 -171.8863 52.0261 171.6537 -68.7307 -177.4513 -57.8238 61.7918 -62.4512 57.1763 176.7919 -171.6992 -52.1167 68.9571 59.3219 178.9044 -60.0218 -55.189 64.3935 -174.5327 -55.1589 -177.2448 63.1877 55.2436 177.8135 -65.1824 174.2718 -63.1583 53.8458 -63.4904 59.0795 176.0837 57.5908 177.0253 -63.1853 -63.97 55.4645 175.2539 175.5698 -64.9957 54.7937 -51.7882 67.1949 -174.6311 -173.7593 -54.7762 63.3978 68.5457 -172.4711 -54.2971 -81.3722 41.7244 160.5556 48.3374 -71.1599 172.1011 -65.372 175.1308 58.3917 171.6046 52.1073 -64.6318 169.9057 -72.8507 50.6528 63.5608 -176.7548 -56.726 -58.3171 61.3673 -178.604 177.7032 -62.6124 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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-ART GMALLOCI 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 0 768.4651000000005 AuxInfo=1/0/N:1;2;3;5;6;7;8;9;10;11;12;13;14;15;16;18;20;21;22;25;28;29;30;31;34;35;37;38;39;41;43;44;45;46;47;49;50;52;53;54;55;56;59;33;48;4;17;19;23;24;26;27;32;36;40;42;51;57;58;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/rA:135nC0C0C0O0C0C0C0C0C0C0C0C0C0C0C0C0O0C0O0C0C0C0O0O0C0O0O0C0C0C0C0O0N0C0C0O0C0C0C0O0C0O0C0C0C0C0C0N0C0C0O0C0C0C0C0C0O0O0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.7301,14.5928,1.8916;1.2428,15.7042,1.004;-.1365,15.4065,.3828;-.106,14.0028,-.0465;-1.2587,13.2921,.0073;2.8286,13.8686,1.6193;3.2167,12.6311,2.282;4.151,11.8204,1.7598;4.4843,10.4243,2.1945;4.1253,9.3235,1.1446;2.7313,8.6428,1.2851;-1.008,11.7997,.0675;.1219,11.2039,-.7928;.1978,9.6604,-.6468;1.4742,9.494,1.6467;.2348,9.1084,.7989;-.9641,9.1017,-1.2635;-.8042,8.7546,-2.6329;-2.3538,13.8061,.115;4.3873,9.79,-.2974;1.1486,9.3037,3.1415;.2543,10.3181,3.7961;-.228,11.3024,3.2628;.1868,7.6602,.7414;-1.0521,7.0631,.9399;1.4069,11.7277,-.495;-1.3448,7.0404,2.3323;-2.6303,6.4793,2.6122;-2.6629,4.9957,2.1647;-2.2365,4.8894,.6823;-.9138,5.6189,.4414;-.5953,5.5715,-.9373;-2.1988,3.4325,.2105;-.9243,2.7018,.5254;-2.5254,3.3011,-1.2545;-3.9976,4.5337,2.3534;-4.1777,3.2191,2.8608;-2.8886,6.6464,4.1;-.4749,16.3113,-.792;5.9343,10.4116,2.3772;6.39,9.6378,3.4334;6.1045,10.3509,4.6518;6.4737,9.6447,5.8336;8.0176,9.5094,5.7969;8.4663,8.7506,4.544;7.8927,9.4393,3.2941;5.9318,10.444,7.012;8.5756,8.9007,7.0885;10.0617,9.1042,7.2231;8.2112,7.4606,7.3303;-4.3059,2.2806,1.7929;-5.575,2.2928,1.0706;-6.7617,2.106,2.0354;-6.7446,3.1605,3.1592;-5.3602,3.1671,3.8233;-5.5019,1.1775,.0417;-7.9801,2.1735,1.307;-7.0063,4.3932,2.4639;-7.8437,2.8989,4.1929;1.0957,14.3127,2.733;1.138,16.647,1.5575;1.9708,15.8805,.2037;-.9155,15.4731,1.1472;3.4366,14.1534,.7591;2.6389,12.3243,3.153;4.6994,12.1648,.885;4.0157,10.2062,3.1594;4.8459,8.5207,1.3486;2.5544,8.1148,.3433;2.8158,7.8477,2.0345;-.7905,11.6141,1.1273;-1.9457,11.2974,-.1782;-.12,11.3926,-1.8507;1.1019,9.3267,-1.1746;1.6689,10.5487,1.4499;-.6662,9.4476,1.3174;-1.7666,8.3702,-2.9767;-.5294,9.6194,-3.2504;-.0414,7.9755,-2.7636;4.3381,8.9342,-.9787;3.6452,10.5245,-.6229;5.3842,10.2324,-.3954;.6935,8.317,3.3119;2.064,9.2884,3.7506;.0541,10.121,4.8705;-1.8433,7.596,.3954;1.3062,12.6778,-.323;-3.4009,7.0153,2.0365;-1.9697,4.4307,2.8023;-3.0179,5.3563,.0765;-.1159,5.1682,1.0479;.1952,6.1214,-1.0505;-1.0859,1.6458,.3142;-.1309,3.0948,-.1074;-.6736,2.8282,1.5773;-2.537,2.2407,-1.5043;-3.5054,3.7408,-1.4352;-1.7645,3.8263,-1.8255;-3.2685,2.9069,3.3858;-2.1259,6.1228,4.6846;-2.8608,7.707,4.3612;-3.8706,6.2489,4.3621;-.4516,17.3578,-.4724;.2527,16.1821,-1.5991;-1.4732,16.0883,-1.1741;5.8688,8.6648,3.4797;6.0151,8.6437,5.8176;8.4258,10.5244,5.7837;9.5559,8.7149,4.4702;8.1051,7.717,4.5813;8.1069,8.8387,2.4058;8.3488,10.425,3.1528;6.4174,11.4222,7.0774;4.86,10.5999,6.8699;6.0555,9.9191,7.9645;10.2832,10.1616,7.0873;10.3584,8.7829,8.2206;10.5728,8.5056,6.472;8.5375,7.1974,8.3354;7.1336,7.3375,7.2479;8.7225,6.8382,6.5994;-5.6884,3.2686,.5831;-6.7043,1.106,2.4808;-5.2535,2.246,4.4061;-5.2807,4.0011,4.5274;-5.3103,.2183,.5328;-6.4545,1.1158,-.4881;-4.7117,1.3543,-.6921;-8.1546,3.1235,1.1979;-7.1708,5.0875,3.1166;-7.6858,1.9453,4.7055;-7.8511,3.6905,4.9503;-8.8191,2.8725,3.7026;-2.964,2.943,.7261;8.1514,9.4398,7.8484; NEW-compound opt 6-31G** Redundant internal coordinates found in file. (old form). Charge = 2 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 1 1 1 2 2 2 3 3 3 4 5 5 6 6 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 17 18 18 18 20 20 20 21 21 21 22 22 24 25 25 25 26 27 28 28 28 29 29 29 30 30 30 31 31 32 33 33 33 34 34 34 35 35 35 36 37 37 37 38 38 38 39 39 39 40 41 41 41 42 43 43 43 44 44 44 45 45 45 46 46 47 47 47 48 48 48 49 49 49 50 50 50 51 52 52 52 53 53 53 54 54 54 55 55 56 56 56 57 58 59 59 59 2 6 60 3 61 62 4 39 63 5 12 19 7 64 8 65 9 66 10 40 67 11 20 68 15 69 70 13 71 72 14 26 73 16 17 74 16 21 75 24 76 18 77 78 79 80 81 82 22 83 84 23 85 25 27 31 86 87 28 29 38 88 30 36 89 31 33 90 32 91 92 34 35 134 93 94 95 96 97 98 37 51 55 99 100 101 102 103 104 105 41 42 46 106 43 44 47 107 45 48 108 46 109 110 111 112 113 114 115 49 50 135 116 117 118 119 120 121 52 53 56 122 54 57 123 55 58 59 124 125 126 127 128 129 130 131 132 133 1.5035 1.3436 1.0904 1.5418 1.0983 1.0961 1.4682 1.5208 1.0934 1.3553 1.5146 1.2145 1.4564 1.0911 1.3427 1.0893 1.4997 1.0884 1.563 1.4615 1.0947 1.5577 1.538 1.0979 1.5606 1.0941 1.0959 1.54 1.0976 1.0917 1.5523 1.4192 1.1015 1.5479 1.4292 1.0988 1.5504 1.5416 1.0904 1.4501 1.0935 1.4217 1.0919 1.0976 1.0982 1.095 1.0937 1.0951 1.5025 1.0999 1.0996 1.219 1.1105 1.3895 1.4231 1.534 1.0985 0.9707 1.4302 1.55 1.5193 1.1012 1.5463 1.4249 1.0983 1.5296 1.5319 1.0934 1.4158 1.0989 0.9695 1.5024 1.5067 1.0445 1.089 1.0883 1.0887 1.0895 1.0891 1.0867 1.4206 1.4275 1.5256 1.0953 1.0944 1.0927 1.0913 1.0945 1.0943 1.092 1.3863 1.4403 1.5221 1.1048 1.4254 1.5503 1.5235 1.1012 1.532 1.5331 1.0941 1.538 1.0927 1.0956 1.0934 1.0952 1.0941 1.0923 1.0946 1.506 1.505 1.0238 1.0889 1.0891 1.088 1.0891 1.0877 1.0876 1.4603 1.5408 1.5192 1.0966 1.5412 1.4212 1.0961 1.5355 1.4393 1.5313 1.0952 1.0943 1.0945 1.0917 1.0928 0.972 0.967 1.094 1.0956 1.0921 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 A219 A220 A221 A222 A223 A224 A225 A226 A227 A228 A229 A230 A231 A232 A233 A234 A235 A236 A237 A238 A239 A240 A241 A242 A243 A244 A245 A246 A247 A248 A249 A250 A251 A252 A253 A254 A255 A256 A257 A258 A259 A260 A261 A262 A263 A264 2 2 6 1 1 1 3 3 61 2 2 2 4 4 39 3 4 4 12 1 1 7 6 6 8 7 7 9 8 8 8 10 10 40 9 9 9 11 11 20 10 10 10 15 15 69 5 5 5 13 13 71 12 12 12 14 14 26 13 13 13 16 16 17 11 11 11 16 16 21 14 14 14 15 15 24 14 17 17 17 77 77 78 10 10 10 80 80 81 15 15 15 22 22 83 21 21 23 16 24 24 24 27 27 31 13 25 27 27 27 29 29 38 28 28 28 30 30 36 29 29 29 31 31 33 25 25 25 30 30 32 31 30 30 30 34 34 35 33 33 33 93 93 94 33 33 33 96 96 97 29 36 36 36 51 51 55 28 28 28 100 100 101 3 3 3 103 103 104 9 40 40 40 42 42 46 41 42 42 42 44 44 47 43 43 43 45 45 48 44 44 44 46 46 109 41 41 41 45 45 111 43 43 43 113 113 114 44 44 44 49 49 50 48 48 48 116 116 117 48 48 48 119 119 120 37 51 51 51 53 53 56 52 52 52 54 54 57 53 53 53 55 55 58 37 37 37 54 54 124 52 52 52 126 126 127 53 54 54 54 54 131 131 132 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 18 18 18 18 18 18 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 24 25 25 25 25 25 25 26 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 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 35 35 35 36 37 37 37 37 37 37 38 38 38 38 38 38 39 39 39 39 39 39 40 41 41 41 41 41 41 42 43 43 43 43 43 43 44 44 44 44 44 44 45 45 45 45 45 45 46 46 46 46 46 46 47 47 47 47 47 47 48 48 48 48 48 48 49 49 49 49 49 49 50 50 50 50 50 50 51 52 52 52 52 52 52 53 53 53 53 53 53 54 54 54 54 54 54 55 55 55 55 55 55 56 56 56 56 56 56 57 58 59 59 59 59 59 59 6 60 60 3 61 62 61 62 62 4 39 63 39 63 63 5 12 19 19 7 64 64 8 65 65 9 66 66 10 40 67 40 67 67 11 20 68 20 68 68 15 69 70 69 70 70 13 71 72 71 72 72 14 26 73 26 73 73 16 17 74 17 74 74 16 21 75 21 75 75 15 24 76 24 76 76 18 77 78 79 78 79 79 80 81 82 81 82 82 22 83 84 83 84 84 23 85 85 25 27 31 86 31 86 86 87 28 29 38 88 38 88 88 30 36 89 36 89 89 31 33 90 33 90 90 30 32 91 32 91 91 92 34 35 134 35 134 134 93 94 95 94 95 95 96 97 98 97 98 98 37 51 55 99 55 99 99 100 101 102 101 102 102 103 104 105 104 105 105 41 42 46 106 46 106 106 43 44 47 107 47 107 107 45 48 108 48 108 108 46 109 110 109 110 110 45 111 112 111 112 112 113 114 115 114 115 115 49 50 135 50 135 135 116 117 118 117 118 118 119 120 121 120 121 121 52 53 56 122 56 122 122 54 57 123 57 123 123 55 58 59 58 59 59 54 124 125 124 125 125 126 127 128 127 128 128 129 130 131 132 133 132 133 133 122.9409 117.1845 119.5794 112.651 111.5909 109.5495 106.4696 109.3295 107.0524 106.4856 113.2924 110.1117 110.339 106.1082 110.1995 118.1658 112.1778 123.2663 124.2481 125.7046 118.3366 115.5923 121.4318 117.5027 120.6634 127.1573 118.1726 114.553 114.1998 105.3586 110.2318 107.8006 110.7003 108.2249 116.9171 112.15 103.8536 111.6873 104.5398 106.515 120.2278 106.137 108.0433 109.4181 107.4212 104.5311 118.7121 103.7592 107.5922 109.1828 109.0492 108.0423 111.5924 113.8473 108.0074 107.633 105.7493 109.7041 116.3366 107.9613 107.2852 106.4383 108.7014 110.054 112.4294 109.1161 109.9932 109.3103 106.5327 109.401 116.1756 108.5634 108.2145 107.2491 108.7978 107.5348 114.8113 106.863 112.1877 111.4693 108.7191 108.9685 108.5489 109.7959 111.5454 111.1942 108.0125 107.5127 108.6421 117.6993 110.3886 111.2819 106.9713 105.2815 104.25 126.1612 114.1404 119.6907 116.9406 109.2709 106.1317 111.2796 108.754 110.1516 111.139 107.7279 112.4953 109.7555 107.5362 109.618 112.6048 107.472 109.8403 109.6762 106.968 108.1467 111.2872 110.3121 110.3424 110.8989 111.5545 107.739 112.571 109.092 104.6615 108.657 111.6064 105.7964 109.3853 110.2022 111.121 106.15 114.7606 112.1505 106.0012 110.2028 106.8619 106.2751 107.7626 108.7211 109.9676 110.2092 109.5177 110.6118 108.0687 108.7335 108.4778 110.1995 110.9374 110.3494 117.78 110.6496 110.8035 109.2537 112.3333 104.2203 109.3436 110.6062 109.6624 110.3718 108.6015 108.9459 108.6048 109.7908 110.5796 110.6272 108.3044 108.4726 109.0053 115.2337 107.6353 109.1257 111.6161 109.7359 107.8785 110.78 113.8757 106.3515 106.8137 109.2969 114.7296 109.5763 109.8791 110.7483 112.1575 106.9094 112.692 109.9048 104.0483 109.488 111.3141 110.0533 109.3671 109.1004 107.471 110.6204 109.8345 107.7938 109.9479 110.6431 107.9368 110.9442 108.863 112.4155 108.3991 109.0562 107.0104 112.3817 115.2874 105.3925 110.7264 105.7438 106.5237 108.7164 108.1081 109.1173 110.1997 110.6433 109.9992 107.8733 109.6324 109.0128 109.8414 109.9358 110.4971 116.2644 111.0134 106.6801 108.4952 111.8436 107.8535 110.9295 111.4138 109.4886 108.951 110.527 109.1074 107.2471 109.165 103.4034 111.5562 111.662 110.8444 109.9986 115.2212 106.7918 108.8818 108.3236 110.3108 106.9437 110.3593 109.1561 111.7622 108.7267 108.4539 108.3123 104.9455 108.6474 111.1993 110.3701 110.0021 107.8764 108.5508 108.7704 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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 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 6 6 6 60 60 60 2 2 60 60 1 1 1 61 61 61 62 62 62 2 39 63 2 2 2 4 4 4 63 63 63 3 3 4 4 4 19 19 19 1 1 64 64 6 6 65 65 7 7 7 66 66 66 8 8 8 40 40 40 67 67 67 8 10 67 9 9 9 20 20 20 68 68 68 9 9 9 11 11 11 68 68 68 10 10 10 69 69 69 70 70 70 5 5 5 71 71 71 72 72 72 12 12 12 26 26 26 73 73 73 12 14 73 13 13 13 17 17 17 74 74 74 13 16 74 11 11 11 21 21 21 75 75 75 11 11 11 16 16 16 75 75 75 14 15 76 14 14 14 15 15 83 83 84 84 16 16 16 24 31 86 24 24 24 27 27 27 86 86 86 25 25 25 27 27 27 38 38 38 88 88 88 27 27 27 29 29 29 88 88 88 28 28 28 36 36 36 89 89 89 28 30 89 29 29 29 33 33 33 90 90 90 29 29 29 31 31 31 90 90 90 25 30 91 30 30 30 35 35 35 134 134 134 30 30 30 34 34 34 134 134 134 29 29 29 36 55 99 36 36 36 51 51 51 99 99 99 9 9 9 40 46 106 40 40 40 42 42 42 106 106 106 41 41 41 42 42 42 47 47 47 107 107 107 42 42 42 44 44 44 107 107 107 43 43 43 48 48 48 108 108 108 43 43 43 45 45 45 108 108 108 44 44 44 109 109 109 110 110 110 44 44 44 50 50 50 135 135 135 44 44 44 49 49 49 135 135 135 37 37 37 51 51 51 56 56 56 122 122 122 51 51 51 53 53 53 122 122 122 52 52 52 57 57 57 123 123 123 52 54 123 53 53 53 58 58 58 59 59 59 53 55 59 53 53 53 55 55 55 58 58 58 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 16 16 16 17 17 17 21 21 21 21 21 21 24 24 24 25 25 25 25 25 25 25 25 25 25 25 25 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 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 31 31 31 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 36 36 36 37 37 37 37 37 37 37 37 37 37 37 37 40 40 40 41 41 41 41 41 41 41 41 41 41 41 41 42 42 42 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 45 45 45 45 45 45 45 45 45 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 51 51 51 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 53 53 53 53 53 53 53 53 53 53 53 53 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 2 2 2 2 2 2 6 6 6 6 3 3 3 3 3 3 3 3 3 4 4 4 39 39 39 39 39 39 39 39 39 5 5 12 12 12 12 12 12 7 7 7 7 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 40 40 40 11 11 11 11 11 11 11 11 11 20 20 20 20 20 20 20 20 20 15 15 15 15 15 15 15 15 15 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 26 26 26 16 16 16 16 16 16 16 16 16 17 17 17 16 16 16 16 16 16 16 16 16 21 21 21 21 21 21 21 21 21 24 24 24 18 18 18 22 22 22 22 22 22 25 25 25 27 27 27 31 31 31 31 31 31 31 31 31 28 28 28 29 29 29 29 29 29 29 29 29 38 38 38 38 38 38 38 38 38 30 30 30 30 30 30 30 30 30 36 36 36 31 31 31 31 31 31 31 31 31 33 33 33 33 33 33 33 33 33 32 32 32 34 34 34 34 34 34 34 34 34 35 35 35 35 35 35 35 35 35 37 37 37 51 51 51 55 55 55 55 55 55 55 55 55 41 41 41 42 42 42 46 46 46 46 46 46 46 46 46 43 43 43 44 44 44 44 44 44 44 44 44 47 47 47 47 47 47 47 47 47 45 45 45 45 45 45 45 45 45 48 48 48 48 48 48 48 48 48 46 46 46 46 46 46 46 46 46 49 49 49 49 49 49 49 49 49 50 50 50 50 50 50 50 50 50 52 52 52 53 53 53 53 53 53 53 53 53 56 56 56 56 56 56 56 56 56 54 54 54 54 54 54 54 54 54 57 57 57 55 55 55 55 55 55 55 55 55 58 58 58 59 59 59 59 59 59 59 59 59 3 61 62 3 61 62 7 64 7 64 4 39 63 4 39 63 4 39 63 5 5 5 103 104 105 103 104 105 103 104 105 12 19 13 71 72 13 71 72 8 65 8 65 9 66 9 66 10 40 67 10 40 67 11 20 68 11 20 68 11 20 68 41 41 41 15 69 70 15 69 70 15 69 70 80 81 82 80 81 82 80 81 82 16 21 75 16 21 75 16 21 75 14 26 73 14 26 73 14 26 73 16 17 74 16 17 74 16 17 74 87 87 87 15 24 76 15 24 76 15 24 76 18 18 18 14 24 76 14 24 76 14 24 76 22 83 84 22 83 84 22 83 84 25 25 25 77 78 79 23 85 23 85 23 85 27 31 86 28 28 28 30 32 91 30 32 91 30 32 91 29 38 88 30 36 89 30 36 89 30 36 89 100 101 102 100 101 102 100 101 102 31 33 90 31 33 90 31 33 90 37 37 37 25 32 91 25 32 91 25 32 91 34 35 134 34 35 134 34 35 134 92 92 92 93 94 95 93 94 95 93 94 95 96 97 98 96 97 98 96 97 98 51 55 99 52 52 52 54 124 125 54 124 125 54 124 125 42 46 106 43 43 43 45 111 112 45 111 112 45 111 112 44 47 107 45 48 108 45 48 108 45 48 108 113 114 115 113 114 115 113 114 115 46 109 110 46 109 110 46 109 110 49 50 135 49 50 135 49 50 135 41 111 112 41 111 112 41 111 112 116 117 118 116 117 118 116 117 118 119 120 121 119 120 121 119 120 121 53 56 122 54 57 123 54 57 123 54 57 123 126 127 128 126 127 128 126 127 128 55 58 59 55 58 59 55 58 59 129 129 129 37 124 125 37 124 125 37 124 125 130 130 130 131 132 133 131 132 133 131 132 133 115.7293 -124.5661 -6.1942 -57.9946 61.7099 -179.9181 -167.6574 5.0637 5.9226 178.6437 -42.713 -164.1824 71.901 -165.3396 73.1911 -50.7255 79.3349 -42.1345 -166.0511 147.4112 -89.2563 30.1072 -58.2178 61.2306 -177.9045 -177.498 -58.0495 62.8153 65.6508 -174.9007 -54.0359 -157.7836 16.0829 -39.7196 81.6024 -164.0574 146.4848 -92.1932 22.147 164.8566 -7.9104 -8.0408 179.1922 -168.8065 7.0263 3.7337 179.5666 112.5745 -129.3256 -12.7814 -63.3871 54.7128 171.257 -93.4156 37.4386 152.0527 149.8874 -79.2585 35.3556 31.6928 162.5469 -82.839 143.4279 -94.2509 25.523 40.8563 165.5468 -82.8018 -90.2124 34.4782 146.1295 155.0044 -80.3051 31.3462 167.5663 -72.7344 48.7117 -58.9699 60.7294 -177.8245 54.5905 174.2898 -64.264 136.8522 -101.7021 18.3121 13.7271 135.1729 -104.813 -99.1926 22.2531 142.2673 -177.7992 60.1184 -61.9756 63.6659 -58.4165 179.4894 -54.1771 -176.2595 61.6464 -50.5468 68.9522 -172.4669 75.048 -165.4531 -46.8721 -167.7439 -48.2449 70.336 -39.0328 -163.2749 82.1202 -64.0098 175.0853 58.656 175.6716 54.7667 -61.6626 57.1611 -63.7439 179.8268 91.8769 -142.5394 -24.9211 -78.1053 43.4994 159.5353 160.5599 -77.8354 38.2005 42.4498 164.0545 -79.9096 162.1839 -74.6661 40.5858 -74.4951 48.655 163.9069 41.8054 164.9555 -79.7927 -98.2423 135.4927 18.6238 -178.506 -59.4417 62.5346 -1.3539 179.6638 -126.2168 54.8009 123.285 -55.6973 -78.6522 164.2395 43.2065 177.985 -66.5759 55.4487 177.9056 -61.3951 59.5909 60.4519 -178.8488 -57.8628 -60.9709 59.7284 -179.2856 63.1893 -174.0043 -54.6303 -53.8834 -174.6945 66.4582 -173.6405 65.5484 -53.299 65.2632 -55.548 -174.3953 -60.4454 59.306 178.9152 60.5885 -179.6601 -60.0509 -179.6774 -59.926 59.6832 51.3499 177.6902 -67.9739 169.511 -64.1486 50.1872 -67.6662 58.6741 173.0099 -140.1155 100.1034 -22.702 -54.4043 -176.4649 61.0885 179.8212 57.7606 -64.686 64.104 -57.9566 179.5968 -84.0542 149.1924 33.6285 41.3646 -85.3888 159.0473 159.7167 32.9633 -82.6006 54.0026 174.2754 -63.8288 169.6106 -70.9457 50.2929 -62.6437 56.8 178.0386 52.4167 171.8604 -66.901 -176.7409 -57.1266 62.9054 54.0872 173.7016 -66.2664 -61.3434 58.271 178.3029 -92.3401 142.3789 21.846 -74.0729 50.3396 168.6024 77.1917 -162.4688 -47.3223 -47.1356 73.204 -171.6496 -162.329 -41.9894 73.157 -74.9117 166.0574 43.2833 177.6417 -63.7185 57.0636 172.2822 -66.1684 51.1931 54.5668 176.1162 -66.5222 -64.4449 57.1046 174.4661 64.7248 -172.312 -53.4848 -59.4138 173.738 60.3012 -177.255 55.8968 -57.54 58.6113 -68.2368 178.3264 -64.7187 54.4848 172.8665 52.8605 172.064 -69.5543 176.8335 -63.963 54.4187 54.7029 175.7453 -65.2104 -178.7449 -57.7025 61.3418 -63.1993 57.8431 176.8874 -164.4972 67.3438 -49.8059 69.7079 -58.451 -175.6007 -49.3065 -177.4655 65.3848 -51.7665 -173.249 67.6183 -173.9809 64.5365 -54.5962 68.729 -52.7535 -171.8863 52.0261 171.6537 -68.7307 -177.4513 -57.8238 61.7918 -62.4512 57.1763 176.7919 -171.6992 -52.1167 68.9571 59.3219 178.9044 -60.0218 -55.189 64.3935 -174.5327 -55.1589 -177.2448 63.1877 55.2436 177.8135 -65.1824 174.2718 -63.1583 53.8458 -63.4904 59.0795 176.0837 57.5908 177.0253 -63.1853 -63.97 55.4645 175.2539 175.5698 -64.9957 54.7937 -51.7882 67.1949 -174.6311 -173.7593 -54.7762 63.3978 68.5457 -172.4711 -54.2971 -81.3722 41.7244 160.5556 48.3374 -71.1599 172.1011 -65.372 175.1308 58.3917 171.6046 52.1073 -64.6318 169.9057 -72.8507 50.6528 63.5608 -176.7548 -56.726 -58.3171 61.3673 -178.604 177.7032 -62.6124 57.4164 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 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. 0.00076 0.00112 0.00173 0.00203 0.00205 0.00222 0.00224 0.00232 0.00233 0.00261 0.00268 0.00280 0.00309 0.00313 0.00353 0.00367 0.00376 0.00383 0.00401 0.00453 0.00475 0.00483 0.00488 0.00507 0.00530 0.00556 0.00580 0.00593 0.00624 0.00678 0.00719 0.00738 0.00786 0.00851 0.00926 0.00961 0.00975 0.01031 0.01075 0.01088 0.01201 0.01409 0.01747 0.01813 0.01901 0.02072 0.02214 0.02270 0.02363 0.02419 0.02461 0.02520 0.02677 0.02799 0.02862 0.02965 0.03025 0.03298 0.03319 0.03576 0.03664 0.03680 0.03735 0.03743 0.03775 0.03883 0.03902 0.03940 0.03946 0.03962 0.03979 0.04025 0.04048 0.04053 0.04128 0.04267 0.04290 0.04318 0.04362 0.04393 0.04406 0.04410 0.04432 0.04462 0.04472 0.04475 0.04515 0.04536 0.04555 0.04576 0.04584 0.04595 0.04602 0.04620 0.04622 0.04646 0.04700 0.04730 0.04773 0.04851 0.04853 0.04864 0.04876 0.04899 0.04924 0.04933 0.04954 0.05007 0.05017 0.05023 0.05066 0.05069 0.05102 0.05118 0.05134 0.05230 0.05260 0.05336 0.05502 0.05570 0.05629 0.05705 0.05776 0.05802 0.06060 0.06263 0.06350 0.06353 0.06392 0.06497 0.06560 0.06590 0.06654 0.06723 0.06746 0.06763 0.06852 0.07046 0.07119 0.07131 0.07192 0.07241 0.07356 0.07374 0.07472 0.07493 0.07590 0.07804 0.07892 0.08029 0.08081 0.08248 0.08309 0.08639 0.08661 0.08725 0.08813 0.08831 0.08843 0.08850 0.09480 0.10011 0.10314 0.10511 0.10535 0.10780 0.11102 0.11482 0.11640 0.11753 0.11878 0.11942 0.12219 0.12226 0.12256 0.12276 0.12322 0.12410 0.12516 0.12553 0.12588 0.12636 0.12658 0.12667 0.12893 0.12929 0.13147 0.13194 0.13304 0.13382 0.13504 0.13538 0.13612 0.14033 0.14087 0.14211 0.14624 0.14713 0.14834 0.14923 0.15011 0.15210 0.15386 0.15404 0.15484 0.15694 0.15846 0.15994 0.16386 0.16487 0.16572 0.16646 0.16912 0.17097 0.17129 0.17213 0.17316 0.17512 0.17656 0.17708 0.17797 0.17887 0.17988 0.18046 0.18103 0.18192 0.18295 0.18377 0.18420 0.18764 0.18833 0.18934 0.19060 0.19316 0.19341 0.19508 0.19770 0.19849 0.19893 0.20064 0.20156 0.20300 0.20458 0.20809 0.20930 0.20969 0.20999 0.21088 0.21233 0.21426 0.21479 0.21728 0.21960 0.22063 0.22532 0.22957 0.23334 0.23393 0.23600 0.23831 0.24210 0.24247 0.24796 0.24972 0.25229 0.25570 0.25671 0.25801 0.25962 0.26402 0.26807 0.26919 0.27135 0.27561 0.27742 0.27907 0.28205 0.28209 0.28502 0.28769 0.28794 0.28898 0.28984 0.29040 0.29206 0.29273 0.29637 0.29875 0.29920 0.29950 0.30327 0.30503 0.30619 0.30863 0.31005 0.31078 0.31124 0.31201 0.31282 0.31406 0.31583 0.31783 0.31861 0.31958 0.32113 0.32204 0.32272 0.32344 0.32570 0.32609 0.32709 0.32817 0.32945 0.33035 0.33054 0.33088 0.33144 0.33398 0.33483 0.33568 0.33609 0.33621 0.33667 0.33705 0.33712 0.33759 0.33787 0.33865 0.33914 0.33933 0.33971 0.33979 0.33995 0.34032 0.34072 0.34119 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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 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 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 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Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000041 0.000008 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -2.526081e-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 1 1 1 2 2 2 3 3 3 4 5 5 6 6 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 17 18 18 18 20 20 20 21 21 21 22 22 24 25 25 25 26 27 28 28 28 29 29 29 30 30 30 31 31 32 33 33 33 34 34 34 35 35 35 36 37 37 37 38 38 38 39 39 39 40 41 41 41 42 43 43 43 44 44 44 45 45 45 46 46 47 47 47 48 48 48 49 49 49 50 50 50 51 52 52 52 53 53 53 54 54 54 55 55 56 56 56 57 58 59 59 59 2 6 60 3 61 62 4 39 63 5 12 19 7 64 8 65 9 66 10 40 67 11 20 68 15 69 70 13 71 72 14 26 73 16 17 74 16 21 75 24 76 18 77 78 79 80 81 82 22 83 84 23 85 25 27 31 86 87 28 29 38 88 30 36 89 31 33 90 32 91 92 34 35 134 93 94 95 96 97 98 37 51 55 99 100 101 102 103 104 105 41 42 46 106 43 44 47 107 45 48 108 46 109 110 111 112 113 114 115 49 50 135 116 117 118 119 120 121 52 53 56 122 54 57 123 55 58 59 124 125 126 127 128 129 130 131 132 133 1.5035 1.3436 1.0904 1.5418 1.0983 1.0961 1.4682 1.5208 1.0934 1.3553 1.5146 1.2145 1.4564 1.0911 1.3427 1.0893 1.4997 1.0884 1.563 1.4615 1.0947 1.5577 1.538 1.0979 1.5606 1.0941 1.0959 1.54 1.0976 1.0917 1.5523 1.4192 1.1015 1.5479 1.4292 1.0988 1.5504 1.5416 1.0904 1.4501 1.0935 1.4217 1.0919 1.0976 1.0982 1.095 1.0937 1.0951 1.5025 1.0999 1.0996 1.219 1.1105 1.3895 1.4231 1.534 1.0985 0.9707 1.4302 1.55 1.5193 1.1012 1.5463 1.4249 1.0983 1.5296 1.5319 1.0934 1.4158 1.0989 0.9695 1.5024 1.5067 1.0445 1.089 1.0883 1.0887 1.0895 1.0891 1.0867 1.4206 1.4275 1.5256 1.0953 1.0944 1.0927 1.0913 1.0945 1.0943 1.092 1.3863 1.4403 1.5221 1.1048 1.4254 1.5503 1.5235 1.1012 1.532 1.5331 1.0941 1.538 1.0927 1.0956 1.0934 1.0952 1.0941 1.0923 1.0946 1.506 1.505 1.0238 1.0889 1.0891 1.088 1.0891 1.0877 1.0876 1.4603 1.5408 1.5192 1.0966 1.5412 1.4212 1.0961 1.5355 1.4393 1.5313 1.0952 1.0943 1.0945 1.0917 1.0928 0.972 0.967 1.094 1.0956 1.0921 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 6 1 1 1 3 3 61 2 2 2 4 4 39 3 4 4 12 1 1 7 6 6 8 7 7 9 8 8 8 10 10 40 9 9 9 11 11 20 10 10 10 15 15 69 5 5 5 13 13 71 12 12 12 14 14 26 13 13 13 16 16 17 11 11 11 16 16 21 14 14 14 15 15 24 14 17 17 17 77 77 78 10 10 10 80 80 81 15 15 15 22 22 83 21 21 23 16 24 24 24 27 27 31 13 25 27 27 27 29 29 38 28 28 28 30 30 36 29 29 29 31 31 33 25 25 25 30 30 32 31 30 30 30 34 34 35 33 33 33 93 93 94 33 33 33 96 96 97 29 36 36 36 51 51 55 28 28 28 100 100 101 3 3 3 103 103 104 9 40 40 40 42 42 46 41 42 42 42 44 44 47 43 43 43 45 45 48 44 44 44 46 46 109 41 41 41 45 45 111 43 43 43 113 113 114 44 44 44 49 49 50 48 48 48 116 116 117 48 48 48 119 119 120 37 51 51 51 53 53 56 52 52 52 54 54 57 53 53 53 55 55 58 37 37 37 54 54 124 52 52 52 126 126 127 53 54 54 54 54 131 131 132 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 18 18 18 18 18 18 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 24 25 25 25 25 25 25 26 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 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 35 35 35 36 37 37 37 37 37 37 38 38 38 38 38 38 39 39 39 39 39 39 40 41 41 41 41 41 41 42 43 43 43 43 43 43 44 44 44 44 44 44 45 45 45 45 45 45 46 46 46 46 46 46 47 47 47 47 47 47 48 48 48 48 48 48 49 49 49 49 49 49 50 50 50 50 50 50 51 52 52 52 52 52 52 53 53 53 53 53 53 54 54 54 54 54 54 55 55 55 55 55 55 56 56 56 56 56 56 57 58 59 59 59 59 59 59 6 60 60 3 61 62 61 62 62 4 39 63 39 63 63 5 12 19 19 7 64 64 8 65 65 9 66 66 10 40 67 40 67 67 11 20 68 20 68 68 15 69 70 69 70 70 13 71 72 71 72 72 14 26 73 26 73 73 16 17 74 17 74 74 16 21 75 21 75 75 15 24 76 24 76 76 18 77 78 79 78 79 79 80 81 82 81 82 82 22 83 84 83 84 84 23 85 85 25 27 31 86 31 86 86 87 28 29 38 88 38 88 88 30 36 89 36 89 89 31 33 90 33 90 90 30 32 91 32 91 91 92 34 35 134 35 134 134 93 94 95 94 95 95 96 97 98 97 98 98 37 51 55 99 55 99 99 100 101 102 101 102 102 103 104 105 104 105 105 41 42 46 106 46 106 106 43 44 47 107 47 107 107 45 48 108 48 108 108 46 109 110 109 110 110 45 111 112 111 112 112 113 114 115 114 115 115 49 50 135 50 135 135 116 117 118 117 118 118 119 120 121 120 121 121 52 53 56 122 56 122 122 54 57 123 57 123 123 55 58 59 58 59 59 54 124 125 124 125 125 126 127 128 127 128 128 129 130 131 132 133 132 133 133 122.9409 117.1845 119.5794 112.651 111.5909 109.5495 106.4696 109.3295 107.0524 106.4856 113.2924 110.1117 110.339 106.1082 110.1995 118.1658 112.1778 123.2663 124.2481 125.7046 118.3366 115.5923 121.4318 117.5027 120.6634 127.1573 118.1726 114.553 114.1998 105.3586 110.2318 107.8006 110.7003 108.2249 116.9171 112.15 103.8536 111.6873 104.5398 106.515 120.2278 106.137 108.0433 109.4181 107.4212 104.5311 118.7121 103.7592 107.5922 109.1828 109.0492 108.0423 111.5924 113.8473 108.0074 107.633 105.7493 109.7041 116.3366 107.9613 107.2852 106.4383 108.7014 110.054 112.4294 109.1161 109.9932 109.3103 106.5327 109.401 116.1756 108.5634 108.2145 107.2491 108.7978 107.5348 114.8113 106.863 112.1877 111.4693 108.7191 108.9685 108.5489 109.7959 111.5454 111.1942 108.0125 107.5127 108.6421 117.6993 110.3886 111.2819 106.9713 105.2815 104.25 126.1612 114.1404 119.6907 116.9406 109.2709 106.1317 111.2796 108.754 110.1516 111.139 107.7279 112.4953 109.7555 107.5362 109.618 112.6048 107.472 109.8403 109.6762 106.968 108.1467 111.2872 110.3121 110.3424 110.8989 111.5545 107.739 112.571 109.092 104.6615 108.657 111.6064 105.7964 109.3853 110.2022 111.121 106.15 114.7606 112.1505 106.0012 110.2028 106.8619 106.2751 107.7626 108.7211 109.9676 110.2092 109.5177 110.6118 108.0687 108.7335 108.4778 110.1995 110.9374 110.3494 117.78 110.6496 110.8035 109.2537 112.3333 104.2203 109.3436 110.6062 109.6624 110.3718 108.6015 108.9459 108.6048 109.7908 110.5796 110.6272 108.3044 108.4726 109.0053 115.2337 107.6353 109.1257 111.6161 109.7359 107.8785 110.78 113.8757 106.3515 106.8137 109.2969 114.7296 109.5763 109.8791 110.7483 112.1575 106.9094 112.692 109.9048 104.0483 109.488 111.3141 110.0533 109.3671 109.1004 107.471 110.6204 109.8345 107.7938 109.9479 110.6431 107.9368 110.9442 108.863 112.4155 108.3991 109.0562 107.0104 112.3817 115.2874 105.3925 110.7264 105.7438 106.5237 108.7164 108.1081 109.1173 110.1997 110.6433 109.9992 107.8733 109.6324 109.0128 109.8414 109.9358 110.4971 116.2644 111.0134 106.6801 108.4952 111.8436 107.8535 110.9295 111.4138 109.4886 108.951 110.527 109.1074 107.2471 109.165 103.4034 111.5562 111.662 110.8444 109.9986 115.2212 106.7918 108.8818 108.3236 110.3108 106.9437 110.3593 109.1561 111.7622 108.7267 108.4539 108.3123 104.9455 108.6474 111.1993 110.3701 110.0021 107.8764 108.5508 108.7704 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6 6 6 60 60 60 2 2 60 60 1 1 1 61 61 61 62 62 62 2 39 63 2 2 2 4 4 4 63 63 63 3 3 4 4 4 19 19 19 1 1 64 64 6 6 65 65 7 7 7 66 66 66 8 8 8 40 40 40 67 67 67 8 10 67 9 9 9 20 20 20 68 68 68 9 9 9 11 11 11 68 68 68 10 10 10 69 69 69 70 70 70 5 5 5 71 71 71 72 72 72 12 12 12 26 26 26 73 73 73 12 14 73 13 13 13 17 17 17 74 74 74 13 16 74 11 11 11 21 21 21 75 75 75 11 11 11 16 16 16 75 75 75 14 15 76 14 14 14 15 15 83 83 84 84 16 16 16 24 31 86 24 24 24 27 27 27 86 86 86 25 25 25 27 27 27 38 38 38 88 88 88 27 27 27 29 29 29 88 88 88 28 28 28 36 36 36 89 89 89 28 30 89 29 29 29 33 33 33 90 90 90 29 29 29 31 31 31 90 90 90 25 30 91 30 30 30 35 35 35 134 134 134 30 30 30 34 34 34 134 134 134 29 29 29 36 55 99 36 36 36 51 51 51 99 99 99 9 9 9 40 46 106 40 40 40 42 42 42 106 106 106 41 41 41 42 42 42 47 47 47 107 107 107 42 42 42 44 44 44 107 107 107 43 43 43 48 48 48 108 108 108 43 43 43 45 45 45 108 108 108 44 44 44 109 109 109 110 110 110 44 44 44 50 50 50 135 135 135 44 44 44 49 49 49 135 135 135 37 37 37 51 51 51 56 56 56 122 122 122 51 51 51 53 53 53 122 122 122 52 52 52 57 57 57 123 123 123 52 54 123 53 53 53 58 58 58 59 59 59 53 55 59 53 53 53 55 55 55 58 58 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 16 16 16 17 17 17 21 21 21 21 21 21 24 24 24 25 25 25 25 25 25 25 25 25 25 25 25 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 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 31 31 31 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 36 36 36 37 37 37 37 37 37 37 37 37 37 37 37 40 40 40 41 41 41 41 41 41 41 41 41 41 41 41 42 42 42 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 44 45 45 45 45 45 45 45 45 45 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 51 51 51 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 53 53 53 53 53 53 53 53 53 53 53 53 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 2 2 2 2 2 2 6 6 6 6 3 3 3 3 3 3 3 3 3 4 4 4 39 39 39 39 39 39 39 39 39 5 5 12 12 12 12 12 12 7 7 7 7 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 40 40 40 11 11 11 11 11 11 11 11 11 20 20 20 20 20 20 20 20 20 15 15 15 15 15 15 15 15 15 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 26 26 26 16 16 16 16 16 16 16 16 16 17 17 17 16 16 16 16 16 16 16 16 16 21 21 21 21 21 21 21 21 21 24 24 24 18 18 18 22 22 22 22 22 22 25 25 25 27 27 27 31 31 31 31 31 31 31 31 31 28 28 28 29 29 29 29 29 29 29 29 29 38 38 38 38 38 38 38 38 38 30 30 30 30 30 30 30 30 30 36 36 36 31 31 31 31 31 31 31 31 31 33 33 33 33 33 33 33 33 33 32 32 32 34 34 34 34 34 34 34 34 34 35 35 35 35 35 35 35 35 35 37 37 37 51 51 51 55 55 55 55 55 55 55 55 55 41 41 41 42 42 42 46 46 46 46 46 46 46 46 46 43 43 43 44 44 44 44 44 44 44 44 44 47 47 47 47 47 47 47 47 47 45 45 45 45 45 45 45 45 45 48 48 48 48 48 48 48 48 48 46 46 46 46 46 46 46 46 46 49 49 49 49 49 49 49 49 49 50 50 50 50 50 50 50 50 50 52 52 52 53 53 53 53 53 53 53 53 53 56 56 56 56 56 56 56 56 56 54 54 54 54 54 54 54 54 54 57 57 57 55 55 55 55 55 55 55 55 55 58 58 58 59 59 59 59 59 59 59 59 3 61 62 3 61 62 7 64 7 64 4 39 63 4 39 63 4 39 63 5 5 5 103 104 105 103 104 105 103 104 105 12 19 13 71 72 13 71 72 8 65 8 65 9 66 9 66 10 40 67 10 40 67 11 20 68 11 20 68 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59 55 58 59 129 129 129 37 124 125 37 124 125 37 124 125 130 130 130 131 132 133 131 132 133 131 132 115.7293 -124.5661 -6.1942 -57.9946 61.7099 -179.9181 -167.6574 5.0637 5.9226 178.6437 -42.713 -164.1824 71.901 -165.3396 73.1911 -50.7255 79.3349 -42.1345 -166.0511 147.4112 -89.2563 30.1072 -58.2178 61.2306 -177.9045 -177.498 -58.0495 62.8153 65.6508 -174.9007 -54.0359 -157.7836 16.0829 -39.7196 81.6024 -164.0574 146.4848 -92.1932 22.147 164.8566 -7.9104 -8.0408 179.1922 -168.8065 7.0263 3.7337 179.5666 112.5745 -129.3256 -12.7814 -63.3871 54.7128 171.257 -93.4156 37.4386 152.0527 149.8874 -79.2585 35.3556 31.6928 162.5469 -82.839 143.4279 -94.2509 25.523 40.8563 165.5468 -82.8018 -90.2124 34.4782 146.1295 155.0044 -80.3051 31.3462 167.5663 -72.7344 48.7117 -58.9699 60.7294 -177.8245 54.5905 174.2898 -64.264 136.8522 -101.7021 18.3121 13.7271 135.1729 -104.813 -99.1926 22.2531 142.2673 -177.7992 60.1184 -61.9756 63.6659 -58.4165 179.4894 -54.1771 -176.2595 61.6464 -50.5468 68.9522 -172.4669 75.048 -165.4531 -46.8721 -167.7439 -48.2449 70.336 -39.0328 -163.2749 82.1202 -64.0098 175.0853 58.656 175.6716 54.7667 -61.6626 57.1611 -63.7439 179.8268 91.8769 -142.5394 -24.9211 -78.1053 43.4994 159.5353 160.5599 -77.8354 38.2005 42.4498 164.0545 -79.9096 162.1839 -74.6661 40.5858 -74.4951 48.655 163.9069 41.8054 164.9555 -79.7927 -98.2423 135.4927 18.6238 -178.506 -59.4417 62.5346 -1.3539 179.6638 -126.2168 54.8009 123.285 -55.6973 -78.6522 164.2395 43.2065 177.985 -66.5759 55.4487 177.9056 -61.3951 59.5909 60.4519 -178.8488 -57.8628 -60.9709 59.7284 -179.2856 63.1893 -174.0043 -54.6303 -53.8834 -174.6945 66.4582 -173.6405 65.5484 -53.299 65.2632 -55.548 -174.3953 -60.4454 59.306 178.9152 60.5885 -179.6601 -60.0509 -179.6774 -59.926 59.6832 51.3499 177.6902 -67.9739 169.511 -64.1486 50.1872 -67.6662 58.6741 173.0099 -140.1155 100.1034 -22.702 -54.4043 -176.4649 61.0885 179.8212 57.7606 -64.686 64.104 -57.9566 179.5968 -84.0542 149.1924 33.6285 41.3646 -85.3888 159.0473 159.7167 32.9633 -82.6006 54.0026 174.2754 -63.8288 169.6106 -70.9457 50.2929 -62.6437 56.8 178.0386 52.4167 171.8604 -66.901 -176.7409 -57.1266 62.9054 54.0872 173.7016 -66.2664 -61.3434 58.271 178.3029 -92.3401 142.3789 21.846 -74.0729 50.3396 168.6024 77.1917 -162.4688 -47.3223 -47.1356 73.204 -171.6496 -162.329 -41.9894 73.157 -74.9117 166.0574 43.2833 177.6417 -63.7185 57.0636 172.2822 -66.1684 51.1931 54.5668 176.1162 -66.5222 -64.4449 57.1046 174.4661 64.7248 -172.312 -53.4848 -59.4138 173.738 60.3012 -177.255 55.8968 -57.54 58.6113 -68.2368 178.3264 -64.7187 54.4848 172.8665 52.8605 172.064 -69.5543 176.8335 -63.963 54.4187 54.7029 175.7453 -65.2104 -178.7449 -57.7025 61.3418 -63.1993 57.8431 176.8874 -164.4972 67.3438 -49.8059 69.7079 -58.451 -175.6007 -49.3065 -177.4655 65.3848 -51.7665 -173.249 67.6183 -173.9809 64.5365 -54.5962 68.729 -52.7535 -171.8863 52.0261 171.6537 -68.7307 -177.4513 -57.8238 61.7918 -62.4512 57.1763 176.7919 -171.6992 -52.1167 68.9571 59.3219 178.9044 -60.0218 -55.189 64.3935 -174.5327 -55.1589 -177.2448 63.1877 55.2436 177.8135 -65.1824 174.2718 -63.1583 53.8458 -63.4904 59.0795 176.0837 57.5908 177.0253 -63.1853 -63.97 55.4645 175.2539 175.5698 -64.9957 54.7937 -51.7882 67.1949 -174.6311 -173.7593 -54.7762 63.3978 68.5457 -172.4711 -54.2971 -81.3722 41.7244 160.5556 48.3374 -71.1599 172.1011 -65.372 175.1308 58.3917 171.6046 52.1073 -64.6318 169.9057 -72.8507 50.6528 63.5608 -176.7548 -56.726 -58.3171 61.3673 -178.604 177.7032 -62.6124 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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 1 6-31G(d,p) (6D, 7F) 135 135 135 1.00e+00 60 T 0.0466748 0.0191410 0.0155344 3 -2846.72466331 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=11111111111111111111111111111111111 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 408 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 408 vectors produced by pass 0 Test12= 2.37D-13 1.00D-09 XBig12= 3.69D+02 8.20D+00. AX will form 69 AO Fock derivatives at one time. 408 vectors produced by pass 1 Test12= 2.37D-13 1.00D-09 XBig12= 5.18D+01 1.14D+00. 406 vectors produced by pass 2 Test12= 2.37D-13 1.00D-09 XBig12= 4.94D-01 4.73D-02. 405 vectors produced by pass 3 Test12= 2.37D-13 1.00D-09 XBig12= 1.64D-03 3.72D-03. 405 vectors produced by pass 4 Test12= 2.37D-13 1.00D-09 XBig12= 2.00D-06 9.67D-05. 202 vectors produced by pass 5 Test12= 2.37D-13 1.00D-09 XBig12= 1.53D-09 1.98D-06. 11 vectors produced by pass 6 Test12= 2.37D-13 1.00D-09 XBig12= 1.27D-12 5.87D-08. 3 vectors produced by pass 7 Test12= 2.37D-13 1.00D-09 XBig12= 1.23D-15 2.39D-09. 1 vectors produced by pass 8 Test12= 2.37D-13 1.00D-09 XBig12= 5.31D-16 1.06D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 2249 with 408 vectors. Isotropic polarizability for W= 0.000000 667.53 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 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2.05548 2.05774 2.06018 2.06137 2.06374 2.06462 2.06775 2.06931 2.07079 2.07433 2.07653 2.07860 2.08041 2.08146 2.08350 2.08640 2.08891 2.09331 2.09378 2.09649 2.09861 2.10306 2.10614 2.10998 2.11066 2.11159 2.11411 2.11933 2.12203 2.12585 2.12785 2.12932 2.13212 2.13586 2.14163 2.14545 2.14708 2.14963 2.15107 2.15722 2.16204 2.16349 2.16970 2.17145 2.17614 2.18240 2.18434 2.19021 2.19746 2.19920 2.19982 2.20332 2.20576 2.21649 2.22018 2.22242 2.22630 2.23088 2.23282 2.24138 2.24266 2.24656 2.24766 2.24968 2.25946 2.26158 2.26336 2.26964 2.27287 2.27650 2.28009 2.28107 2.29075 2.29279 2.29548 2.29800 2.30916 2.31116 2.32078 2.32658 2.32831 2.33294 2.33777 2.34445 2.34711 2.35149 2.35200 2.35540 2.35799 2.35903 2.36331 2.36589 2.36779 2.37009 2.37436 2.37537 2.37990 2.38398 2.39038 2.39373 2.40122 2.40712 2.41271 2.41832 2.42005 2.42628 2.42991 2.43748 2.44020 2.44718 2.44969 2.45089 2.45635 2.45841 2.46393 2.46753 2.47467 2.47729 2.48238 2.48408 2.48762 2.49048 2.49720 2.49958 2.50131 2.50364 2.51248 2.51471 2.52014 2.52836 2.53973 2.54132 2.54243 2.54951 2.55087 2.55863 2.56106 2.56643 2.56943 2.57195 2.57785 2.58290 2.58608 2.59008 2.59320 2.59785 2.60060 2.60414 2.60873 2.61090 2.61359 2.61719 2.62111 2.62347 2.62403 2.62523 2.63041 2.63285 2.63832 2.63990 2.64277 2.64477 2.65163 2.65195 2.65573 2.65728 2.66007 2.66741 2.66839 2.67064 2.67436 2.67851 2.68138 2.68464 2.68580 2.69044 2.69369 2.69532 2.69725 2.70245 2.70643 2.70943 2.71199 2.71597 2.72038 2.72161 2.72651 2.72924 2.73370 2.73437 2.73568 2.73983 2.74073 2.74667 2.75084 2.75350 2.75612 2.76024 2.76120 2.76257 2.76542 2.76801 2.77076 2.77608 2.77882 2.77924 2.78106 2.79110 2.79570 2.80135 2.80357 2.80716 2.80892 2.81048 2.81413 2.82046 2.82621 2.82921 2.83463 2.83588 2.83860 2.84099 2.84745 2.85195 2.85488 2.85522 2.86063 2.86286 2.86610 2.86849 2.87109 2.87385 2.88036 2.88132 2.88224 2.88535 2.88695 2.89128 2.89397 2.89509 2.89572 2.89708 2.89806 2.90056 2.90180 2.90409 2.91043 2.91335 2.91428 2.91862 2.92655 2.92895 2.93392 2.93515 2.93756 2.94244 2.95019 2.95124 2.95652 2.95667 2.95972 2.97317 2.97529 2.98209 2.98596 2.99478 3.00081 3.01025 3.01117 3.01447 3.01889 3.02532 3.02805 3.03474 3.04021 3.04690 3.05376 3.06181 3.07237 3.07914 3.08563 3.08987 3.09355 3.10346 3.11584 3.13763 3.14089 3.14972 3.16980 3.17384 3.18989 3.19360 3.20476 3.21219 3.21509 3.21730 3.21867 3.22156 3.23468 3.23693 3.23890 3.26073 3.26618 3.27608 3.27764 3.29697 3.30208 3.30443 3.32150 3.32158 3.33072 3.33432 3.33865 3.34924 3.35042 3.36308 3.37477 3.37759 3.37932 3.38198 3.38537 3.39458 3.40086 3.40436 3.41200 3.41661 3.41763 3.42314 3.42572 3.42625 3.43053 3.43306 3.43575 3.44155 3.44312 3.44967 3.45175 3.45370 3.45706 3.46152 3.46599 3.46772 3.46845 3.47613 3.47679 3.48261 3.48750 3.48903 3.50419 3.50775 3.50929 3.51080 3.51344 3.51745 3.51899 3.52453 3.53497 3.53665 3.54010 3.54205 3.54692 3.57764 3.58857 3.59878 3.61087 3.63120 3.94730 3.96303 3.96617 4.01539 4.06122 4.07339 4.07669 4.10464 4.12053 4.16775 4.19102 4.20824 4.22962 4.24106 4.27233 4.29721 4.31295 4.32304 4.33411 4.34799 4.35368 4.36267 4.37770 4.38697 4.42108 4.42898 4.44292 4.44511 4.45314 4.46418 4.46767 4.48174 4.49724 4.50313 4.51681 4.52065 4.52639 4.54288 4.54958 4.56786 4.58602 4.61302 4.62851 4.64317 4.66028 4.68943 4.70499 4.71027 4.72814 4.75508 4.76564 4.76758 4.79345 4.80778 4.82319 4.83339 4.84041 4.85788 4.90150 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 C C C O C C C C C C C C C C C C O C O C C C O O C O O C C C C O N C C O C C C O C O C C C C C N C C O C C C C C O O 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 -0.082912 -0.240834 0.161412 -0.499156 0.621692 -0.091969 -0.075631 -0.066654 0.101632 -0.048979 -0.198050 -0.308779 0.169211 0.166361 -0.065557 0.129178 -0.513672 -0.079092 -0.512950 -0.352774 -0.291890 0.305102 -0.432180 -0.558553 0.428361 -0.570511 -0.522700 0.155238 0.152143 0.004675 0.156714 -0.568857 -0.480646 -0.214391 -0.212671 -0.514863 0.376777 -0.338900 -0.330194 -0.538936 0.426284 -0.524394 0.162798 0.027210 -0.226864 -0.212863 -0.358300 -0.453654 -0.202089 -0.210911 -0.548317 0.154273 0.184535 0.208859 -0.199077 -0.336689 -0.579291 -0.581956 -0.325426 0.099523 0.129211 0.116090 0.126824 0.092814 0.094491 0.099963 0.103345 0.100767 0.105200 0.100508 0.181546 0.136117 0.096859 0.103979 0.142707 0.115894 0.126447 0.110987 0.106921 0.099590 0.134227 0.102752 0.153633 0.141264 0.095222 0.113867 0.341040 0.116882 0.130066 0.169082 0.126996 0.343983 0.178002 0.186491 0.175873 0.171655 0.175225 0.194431 0.128645 0.123455 0.128250 0.133313 0.124193 0.121953 0.126243 0.090396 0.118138 0.167130 0.144234 0.140751 0.130764 0.128969 0.138383 0.143799 0.126168 0.183898 0.182831 0.187070 0.185850 0.182090 0.189636 0.115679 0.110605 0.132330 0.130573 0.121430 0.132743 0.111218 0.328695 0.333675 0.118898 0.114371 0.120470 0.374998 0.367357 2.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 C C C O C C C C C C C C C C C C O C O C C C O O C O O C C C C O N C C O C C C O C O C C C C C N C C O C C C C C O O C 0.016611 0.004467 0.288235 -0.499156 0.621692 0.000845 0.018860 0.033309 0.204977 0.051788 0.007658 0.008883 0.266069 0.270341 0.077151 0.245072 -0.513672 0.265263 -0.512950 -0.016205 0.003007 0.400324 -0.432180 -0.558553 0.542228 -0.229471 -0.522700 0.272120 0.282209 0.173757 0.283710 -0.224874 -0.105648 0.325975 0.328640 -0.514863 0.505422 0.046118 0.042195 -0.538936 0.516680 -0.524394 0.280936 0.194340 0.058120 0.046870 0.050050 -0.086297 0.351711 0.346664 -0.548317 0.269952 0.295140 0.208859 0.063825 0.028702 -0.250595 -0.248281 0.028313 1.99998 680.362 -38.651 693.815 3.385 -6.505 628.402 733.148 -58.014 735.357 -7.332 -4.955 665.296 -0.0037 -0.0019 0.0008 2.6246 3.8090 4.3069 10.1731 12.7902 15.6299 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 9.6385 12.7509 15.5826 16.3083 17.8889 24.8530 30.4174 35.2193 40.4307 42.6807 45.9561 48.3953 54.0314 59.5525 62.6813 68.5732 69.8515 77.3649 80.2049 81.5235 82.3509 89.2193 94.5090 104.7923 106.9397 113.0621 119.5891 123.8878 125.5902 130.3479 134.4534 145.7000 148.7383 159.2684 165.0346 170.0831 174.5814 178.0181 184.3288 189.7925 194.1828 199.6265 202.6736 210.3715 216.8332 219.9307 222.2455 227.9291 231.0360 232.0918 235.5134 239.1105 240.0105 241.0696 242.2727 247.9199 252.2410 260.4440 262.1348 266.7388 272.3529 276.3399 277.4986 285.0301 286.0783 288.5746 294.8955 297.8506 301.8128 311.1643 320.0402 324.6193 332.8943 342.3852 345.2413 352.4142 355.7435 358.2445 364.4641 368.7682 374.2963 384.3084 385.9784 404.7623 408.5683 414.1566 426.9479 430.2034 438.6610 440.6424 443.9571 448.4772 448.7662 451.0899 455.9566 459.2059 469.1651 483.0876 492.2281 494.8501 497.6814 505.2631 512.3828 517.6486 526.0099 539.7680 540.6530 553.7123 554.6876 562.9422 572.3347 573.9219 592.8559 593.7699 605.9711 612.1829 633.0659 644.2768 648.5359 665.1429 673.1695 706.8568 725.3865 765.1883 789.8138 807.5680 808.1858 811.4353 820.1267 827.6928 834.7416 835.2114 836.0493 849.2855 853.1213 873.8692 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