Gaussian 16 GINC-CN043 20CY91R06 hf2c60 EM64L-G16RevB.01 14-Jun-2022 Gaussian 16 20-Dec-2017 EM64L-G16RevB.01 64 64 190 190 878 (5D, 7F) def2SVP 186 186 C1[X(C60H2F2)] C1[X(C60H2F2)] RPBEPBE def2SVP FOpt #p opt pbepbe def2svp scf=xqc 758.6388064000002 0 1 AuxInfo=1/0/N:1,2,7,6,9,8,3,19,5,17,4,18,10,20,15,16,11,22,12,24,59,21,57,56,14,26,29,23,13,25,42,54,43,55,28,27,58,52,39,50,41,53,44,45,38,49,40,51,32,47,33,46,37,36,31,48,34,30,35,60;61;63/E:(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);;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.3,39.3,40.3,41.3,42.3,43.3,44.3,45.3,46.3,47.3,48.3,49.3,50.3,51.3,52.3,53.3,54.3,55.3,56.3,57.3,58.3,59.3,60.3;;/rA:64C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3FHFH/rB:s1;s2;s3;s4;s1s5;s1;s7;s2s8;s9;s3;s4;s12;s13;s5s14;s15;s6s16;s17;s7s18;s8;s20;s19s21;s22;s18s23;s24;s16s25;s26;s14s27;s11s12;;s30;s31;s32;s33;;s35;s30s36;s28s37;s13s38;s31s39;s32;s41;s42;s33s43;s44;s34s45;s46;s35s47;s27s36;s25s49;s48s50;s23s51;s47s52;s21s53;s45s54;s20s55;s10s43s56;s29s40s41;s10s11s42;s30s34s35;;s61;;s63;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 Output=HF2@C60_ANTI_OPT_PBEPBE_def2svp.log mem=130GB nprocshared=40 chk=C2v_pbepbe_def2svp.chk #p opt pbepbe def2svp scf=xqc 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=43,7=101,11=2,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,8=3,13=1,38=5/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=43,7=101,11=2,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,38=5/2,8 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 hf2c60 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 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 19 1 19 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 18.9984033 1.0078250 18.9984033 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /home/apps/g16/l101.exe) 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 1 1 1 2 2 3 3 4 4 5 5 6 7 7 8 8 9 10 10 11 11 12 12 13 13 14 14 15 16 16 17 18 18 19 20 20 21 21 22 23 23 24 25 25 26 27 27 28 29 30 30 30 31 31 32 32 33 33 34 34 35 35 35 36 36 37 38 39 40 41 41 42 42 43 43 43 44 44 45 45 45 46 47 47 48 49 50 51 52 53 54 55 55 56 56 61 61 62 62 63 2 6 7 3 9 4 11 5 12 6 15 17 8 19 9 20 10 57 59 29 59 13 29 14 39 15 28 16 17 26 18 19 24 22 21 56 22 54 23 24 52 25 26 50 27 28 49 38 58 31 37 60 32 40 33 41 34 44 46 60 36 48 60 37 49 38 39 40 58 42 58 43 59 44 57 61 45 61 46 55 61 47 48 53 51 50 51 52 53 54 55 56 61 57 61 62 64 63 64 64 1.4538 1.4043 1.4533 1.3963 1.4579 1.458 1.4538 1.4021 1.4521 1.4544 1.4611 1.4553 1.4587 1.3975 1.452 1.4021 1.4021 1.4611 1.4544 1.4533 1.4043 1.4022 1.4587 1.461 1.4553 1.4056 1.4618 1.4616 1.4612 1.4068 1.4016 1.4582 1.4529 1.4538 1.4553 1.461 1.4054 1.4553 1.4538 1.4582 1.3975 1.4016 1.4612 1.4553 1.4616 1.4056 1.4611 1.461 1.3975 1.3975 1.4587 1.4533 1.4582 1.4538 1.4016 1.4529 1.4553 1.4612 1.4544 1.4043 1.4579 1.3963 1.4538 1.4521 1.4021 1.4021 1.4553 1.4054 1.4538 1.4016 1.4582 1.4612 1.4553 1.4068 1.4616 2.5892 1.4616 2.5892 1.4611 1.4056 2.6325 1.4021 1.458 1.4521 1.4538 1.4544 1.4043 1.4533 1.4587 1.4021 1.461 1.4618 2.6721 1.4055 2.6723 0.9469 1.7524 1.7463 1.7424 0.9469 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 1 1 8 7 7 9 2 2 8 9 9 57 3 3 29 4 4 13 12 12 14 13 13 15 5 5 14 15 15 17 6 6 16 17 17 19 7 7 18 8 8 21 20 20 22 19 19 21 22 22 24 18 18 23 24 24 26 16 16 25 26 26 28 14 14 27 11 11 12 31 31 37 30 30 32 31 31 33 32 32 34 33 33 46 36 36 48 35 35 37 30 30 36 28 28 37 13 13 38 31 31 39 32 32 42 41 41 43 42 42 42 44 57 33 33 33 43 44 44 46 46 34 34 45 46 46 48 35 35 47 27 27 36 25 25 49 48 48 50 23 23 51 47 47 52 21 21 53 45 45 54 54 20 20 20 55 57 10 10 43 29 29 40 10 10 11 30 30 34 43 43 43 43 43 44 44 44 44 45 45 45 55 55 56 56 61 61 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 35 35 35 36 36 36 37 37 37 38 38 38 39 39 39 40 40 40 41 41 41 42 42 42 43 43 43 43 43 44 44 44 44 45 45 45 45 46 46 46 47 47 47 48 48 48 49 49 49 50 50 50 51 51 51 52 52 52 53 53 53 54 54 54 55 55 55 55 56 56 56 56 56 57 57 57 58 58 58 59 59 59 60 60 60 61 61 61 61 61 61 61 61 61 61 61 61 61 61 61 61 62 64 6 7 7 3 9 9 4 11 11 5 12 12 6 15 15 5 17 17 8 19 19 9 20 20 8 10 10 57 59 59 29 59 59 13 29 29 14 39 39 15 28 28 14 16 16 17 26 26 16 18 18 19 24 24 18 22 22 21 56 56 22 54 54 21 23 23 24 52 52 23 25 25 26 50 50 25 27 27 28 49 49 27 38 38 12 58 58 37 60 60 32 40 40 33 41 41 34 44 44 46 60 60 48 60 60 37 49 49 36 38 38 37 39 39 38 40 40 39 58 58 42 58 58 43 59 59 44 57 61 57 61 43 45 61 45 46 55 55 61 45 47 47 48 53 53 47 51 51 36 50 50 49 51 51 50 52 52 51 53 53 52 54 54 53 55 55 54 56 56 61 55 57 61 57 61 43 56 56 40 41 41 11 42 42 34 35 35 45 55 56 62 64 55 56 62 64 56 62 64 62 64 62 64 63 63 120.518 107.4432 120.3095 119.4473 108.5337 120.1018 120.0986 119.4451 108.5345 120.6643 107.7264 119.801 119.1118 120.6644 108.3239 120.1583 120.3401 107.8418 108.4286 119.4561 120.2449 107.8657 120.5896 119.7986 107.7287 120.6609 119.8032 120.6633 119.116 108.3227 107.4448 120.5169 120.3038 119.8019 107.8666 120.5878 120.6728 119.0562 108.3294 119.5211 107.7437 120.0488 119.5351 107.791 119.9329 107.6723 120.0174 119.5914 108.3702 119.1787 120.5148 120.407 119.8908 107.823 120.3071 119.3716 108.4033 119.0546 120.6754 108.3284 120.3012 107.8473 120.2995 120.4354 107.5471 120.4349 108.4023 119.3754 120.307 107.8241 119.8936 120.4028 120.5133 119.1821 108.3696 119.5917 120.0235 107.6711 119.9347 107.793 119.5349 120.0427 107.75 119.5202 108.4277 119.4582 120.2436 120.2457 119.4548 108.4289 120.31 119.3705 108.402 120.4049 107.8235 119.8902 119.178 120.5181 108.3714 107.8398 120.3427 120.1586 120.1011 108.535 119.4458 107.7276 120.6627 119.8033 107.8655 120.5909 119.7988 120.675 108.3263 119.0524 107.8503 120.2991 120.3009 120.4368 107.5485 120.4364 119.8921 107.8253 120.4008 120.5155 119.1812 108.3709 119.5919 107.6682 85.082 120.0235 75.3838 119.5879 107.6713 85.0743 120.0164 107.7908 119.9324 119.5324 86.1874 108.3258 119.1123 120.6664 120.6632 119.8004 107.727 120.1001 119.4456 108.5338 120.6641 108.3232 119.1139 107.8422 120.3417 120.1582 120.5169 107.4449 120.3051 119.4597 120.2427 108.4272 107.867 119.8012 120.5865 119.0585 108.332 120.6733 119.5226 120.0499 107.7425 87.8726 107.7495 119.5191 87.8805 120.0427 73.0797 107.7966 119.5367 119.9352 119.3741 120.31 108.4005 120.1576 107.8408 120.3444 120.3082 107.4429 120.5183 56.8156 66.0094 56.2757 149.9252 130.5914 56.2778 66.0111 149.1742 130.8778 55.8359 116.8407 143.7429 94.5285 160.8742 94.9141 160.2138 106.3558 105.9178 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 6 6 7 7 2 2 7 7 2 2 6 6 1 1 9 9 1 1 3 3 2 2 11 11 2 2 4 4 3 3 12 12 3 3 5 5 4 4 15 15 4 4 6 6 1 1 5 5 1 1 19 19 1 1 8 8 7 7 20 20 7 7 9 9 2 2 8 8 9 9 59 59 9 9 57 57 3 3 59 59 3 3 29 29 4 4 29 29 4 4 13 13 12 12 39 39 12 12 14 14 13 13 28 28 13 13 15 15 5 5 14 14 15 15 26 26 15 15 17 17 6 6 16 16 17 17 24 24 17 17 19 19 7 7 18 18 8 8 56 56 8 8 8 21 21 21 20 20 54 54 20 20 22 22 19 19 21 21 22 22 52 52 22 22 24 24 18 18 23 23 24 24 50 50 24 24 26 26 16 16 25 25 26 26 49 49 26 26 28 28 14 14 27 27 11 11 12 12 37 37 60 60 31 31 60 60 31 31 37 37 30 30 40 40 30 30 32 32 31 31 41 41 31 31 33 33 32 32 44 44 32 32 32 34 34 34 33 33 60 60 33 33 46 46 48 48 60 60 36 36 60 60 36 36 48 48 35 35 49 49 35 35 37 37 30 30 36 36 28 28 37 37 13 13 38 38 31 31 39 39 32 32 58 58 32 32 42 42 41 41 41 59 59 59 41 41 43 43 42 42 57 57 42 42 44 44 61 61 42 42 42 42 42 57 57 57 57 57 33 33 43 43 33 33 33 33 44 44 55 55 61 61 44 44 46 46 46 46 46 46 34 34 45 45 46 46 53 53 46 46 48 48 35 35 47 47 27 27 36 36 25 25 49 49 48 48 50 50 23 23 51 51 47 47 52 52 21 21 21 53 53 53 45 45 54 54 54 54 54 54 20 20 55 55 61 61 20 20 20 20 20 57 57 57 57 57 43 44 45 55 56 43 44 45 55 56 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 22 22 22 22 23 23 23 23 23 23 23 23 24 24 24 24 25 25 25 25 25 25 25 25 26 26 26 26 27 27 27 27 27 27 27 27 28 28 28 28 29 29 29 29 30 30 30 30 30 30 30 30 30 30 30 30 31 31 31 31 31 31 31 31 32 32 32 32 32 32 32 32 33 33 33 33 33 33 33 33 33 33 34 34 34 34 34 34 34 34 35 35 35 35 35 35 35 35 35 35 35 35 36 36 36 36 36 36 36 36 37 37 37 37 38 38 38 38 39 39 39 39 40 40 40 40 41 41 41 41 41 41 41 41 42 42 42 42 42 42 42 42 42 42 43 43 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 45 45 45 45 45 45 45 45 45 45 45 45 45 45 46 46 46 46 47 47 47 47 47 47 47 47 48 48 48 48 49 49 49 49 50 50 50 50 51 51 51 51 52 52 52 52 53 53 53 53 54 54 54 54 54 54 55 55 55 55 55 55 55 55 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 61 61 61 61 61 61 61 61 61 61 2 2 2 2 6 6 6 6 7 7 7 7 3 3 3 3 9 9 9 9 4 4 4 4 11 11 11 11 5 5 5 5 12 12 12 12 6 6 6 6 15 15 15 15 17 17 17 17 8 8 8 8 19 19 19 19 9 9 9 9 20 20 20 20 10 10 10 10 57 57 57 57 59 59 59 59 29 29 29 29 59 59 59 59 13 13 13 13 29 29 29 29 14 14 14 14 39 39 39 39 15 15 15 15 28 28 28 28 16 16 16 16 17 17 17 17 26 26 26 26 18 18 18 18 19 19 19 19 24 24 24 24 22 22 22 22 21 21 21 21 56 56 56 56 56 56 22 22 22 22 54 54 54 54 23 23 23 23 24 24 24 24 52 52 52 52 25 25 25 25 26 26 26 26 50 50 50 50 27 27 27 27 28 28 28 28 49 49 49 49 38 38 38 38 58 58 58 58 31 31 31 31 37 37 37 37 60 60 60 60 32 32 32 32 40 40 40 40 33 33 33 33 41 41 41 41 34 34 34 34 44 44 44 44 44 44 46 46 46 46 60 60 60 60 36 36 36 36 48 48 48 48 60 60 60 60 37 37 37 37 49 49 49 49 38 38 38 38 39 39 39 39 40 40 40 40 58 58 58 58 42 42 42 42 58 58 58 58 43 43 43 43 43 43 59 59 59 59 44 44 44 44 57 57 57 57 57 57 61 61 61 61 61 61 61 61 61 61 45 45 45 45 61 61 61 61 46 46 46 46 46 46 55 55 55 55 61 61 61 61 47 47 47 47 48 48 48 48 53 53 53 53 51 51 51 51 50 50 50 50 51 51 51 51 52 52 52 52 53 53 53 53 54 54 54 54 55 55 55 55 55 55 56 56 56 56 61 61 61 61 57 57 57 57 57 57 61 61 61 61 61 61 61 61 61 61 62 62 62 62 62 64 64 64 64 64 3 9 3 9 5 17 5 17 8 19 8 19 4 11 4 11 8 10 8 10 5 12 5 12 29 59 29 59 6 15 6 15 13 29 13 29 1 17 1 17 14 16 14 16 16 18 16 18 9 20 9 20 18 22 18 22 2 10 2 10 21 56 21 56 57 59 57 59 43 56 43 56 11 42 11 42 12 58 12 58 10 42 10 42 14 39 14 39 11 58 11 58 15 28 15 28 38 40 38 40 5 16 5 16 27 38 27 38 17 26 17 26 6 18 6 18 25 27 25 27 19 24 19 24 7 22 7 22 23 25 23 25 21 23 21 23 22 54 22 54 55 57 61 55 57 61 19 23 19 23 53 55 53 55 24 52 24 52 18 25 18 25 51 53 51 53 26 50 26 50 16 27 16 27 49 51 49 51 28 49 28 49 14 38 14 38 36 50 36 50 37 39 37 39 40 41 40 41 32 40 32 40 36 38 36 38 34 35 34 35 33 41 33 41 39 58 39 58 34 44 34 44 42 58 42 58 46 60 46 60 43 45 61 43 45 61 45 47 45 47 30 35 30 35 37 49 37 49 47 51 47 51 30 34 30 34 30 38 30 38 27 50 27 50 28 39 28 39 13 40 13 40 31 58 31 58 29 41 29 41 43 59 43 59 29 40 29 40 44 57 61 44 57 61 10 11 10 11 33 45 33 45 10 56 10 56 10 56 45 55 56 62 64 45 55 56 62 64 46 55 46 55 55 56 62 64 34 47 34 47 34 47 54 56 54 56 43 56 62 64 48 53 48 53 35 51 35 51 52 54 52 54 50 52 50 52 25 51 25 51 48 52 48 52 23 53 23 53 47 54 47 54 21 55 21 55 45 56 61 45 56 61 20 57 20 57 43 44 62 64 10 43 10 43 10 43 43 44 45 62 64 43 44 45 62 64 63 63 63 63 63 63 63 63 63 63 -0.1595 -142.9774 142.902 0.084 -0.1123 138.5359 -138.4992 0.149 -0.0882 -143.0208 143.0651 0.1325 0.1239 -138.3914 138.646 0.1307 -0.0479 142.7144 -142.5803 0.182 0.1894 -142.5702 142.7148 -0.0448 142.8917 -0.1606 0.0812 -142.971 -0.4573 -138.9196 137.916 -0.5462 143.1925 -0.0091 0.0531 -143.1486 0.4201 -142.7813 143.4888 0.2874 0.5471 142.187 -141.8425 -0.2026 -143.3847 -0.4246 -0.2627 142.6974 0.0591 -142.7937 142.6477 -0.2051 -0.1395 138.3295 -138.691 -0.222 -0.0069 -143.1465 143.1924 0.0528 0.5629 138.9631 -137.9602 0.44 -138.9198 -0.4551 -0.5439 137.9209 142.1949 0.5417 -0.199 -141.8522 0.4236 -142.783 143.4942 0.2876 -0.0868 -143.0188 143.0594 0.1274 -0.1164 138.5354 -138.4959 0.1559 0.439 -137.9617 138.966 0.5653 0.0597 142.6491 -142.7977 -0.2084 -0.4355 -142.1912 141.8753 0.1196 142.8273 -0.5031 -0.1916 -143.522 -0.0552 -137.0647 137.0143 0.0048 141.514 -0.0019 -0.0026 -141.5186 0.0399 -141.4621 141.4994 -0.0025 0.1376 -142.2378 141.8329 -0.5424 136.9989 -0.0021 0.0049 -136.996 0.4178 -137.8858 138.8442 0.5406 -0.1403 -142.6274 142.5753 0.0882 142.9426 0.0018 -0.0004 -142.9411 0.2807 -143.0377 143.1766 -0.1418 -0.5031 142.8233 -143.523 -0.1966 -142.19 -0.4395 -69.6068 0.1199 141.8705 72.7032 0.0817 138.7362 -138.7357 -0.0813 -142.8279 0.1983 0.4992 143.5254 0.1415 143.0409 -143.1771 -0.2777 -0.0876 142.6289 -142.5798 0.1367 -138.332 0.219 0.1407 138.6917 -0.5409 137.8874 -138.8444 -0.4161 0.5358 142.2402 -141.8428 -0.1384 -142.6972 0.4273 0.264 143.3885 0.0043 141.4685 -141.504 -0.0399 -0.002 137.0691 -137.0175 0.0535 -142.1883 0.2034 -0.5429 141.8488 142.1862 -0.1165 0.4335 -141.8692 138.3305 -0.1414 -0.2206 -138.6925 138.6923 0.2232 0.141 -138.328 -142.6462 0.2084 -0.0585 142.7962 -0.1311 143.0206 -143.0639 0.0878 0.1363 -142.5761 142.6233 -0.0891 -0.2841 143.0408 -143.1817 0.1431 -0.4143 -138.847 137.886 -0.5466 142.9374 0.0005 -0.0017 -142.9387 -142.6992 0.4239 0.2674 143.3905 0.5506 142.2386 69.2957 -141.8296 -0.1416 -73.0845 -0.2909 142.7843 -143.4945 -0.4193 -0.1508 -138.5355 138.498 0.1133 142.5789 -0.1845 0.0483 -142.7151 -138.6462 -0.1292 -0.1251 138.3919 -0.084 142.9751 -142.9004 0.1587 0.0062 -143.1954 143.1477 -0.0539 138.9202 0.4569 0.5433 -137.9201 -138.9607 -0.5684 -0.4357 137.9566 0.1904 143.52 -142.8232 0.5064 138.7417 0.08 -0.0807 -138.7423 -143.0433 -0.1428 0.2817 143.1822 0.5445 -137.888 138.8449 0.4124 142.5798 0.0884 -0.1331 -142.6245 -0.5372 -142.2379 -69.2889 141.8444 0.1437 73.0927 142.6988 -0.4262 -0.2667 -143.3916 -0.0094 -136.9948 136.9863 0.0009 0.0339 141.5064 -141.4708 0.0017 -79.8263 61.6461 153.1842 -173.2539 -138.5437 -119.8413 18.0748 -97.1062 -63.5443 -28.8341 -10.1317 127.7844 -0.038 -141.4922 141.4553 0.0012 138.5516 173.2613 117.5077 -19.0584 0.2036 -142.192 141.8392 -0.5565 70.0521 -72.3436 137.0654 -0.0057 0.0609 -137.0102 -139.7245 151.246 74.3905 -24.7083 0.4545 -137.9174 138.924 0.5521 -0.1864 -142.7136 142.5715 0.0443 143.1474 -0.0517 0.0098 -143.1893 0.1608 -142.8939 142.9735 -0.0811 -0.2887 -143.4933 142.781 -0.4236 -138.5358 -0.1542 0.1154 138.4971 143.0188 0.0871 -0.1292 -143.0609 -142.6504 0.2047 -0.0602 142.7949 137.9657 -0.4441 -0.5591 -138.9688 -141.8821 -0.1242 -72.7167 0.437 142.1948 69.6023 141.5216 0.0083 0.0026 -141.5107 173.2931 -152.2641 17.0992 -33.7896 -0.0492 -137.0746 137.0192 -0.0062 77.4371 -59.5883 152.2577 -173.3008 -137.7583 -18.461 35.1614 30.4804 64.9219 100.4644 -140.2383 -86.6159 147.9697 -147.2151 -142.5326 -164.6486 163.4957 -159.5026 158.4803 113.3897 53.7104 -56.6799 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate 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D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 940 A 878 A 1564 940 9404.2744714957 64 1.00e+00 60 T IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Berny optimization. local minimum Step number 11 out of a maximum of 384 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00283 0.00872 0.01435 0.01776 0.02339 0.02507 0.02586 0.02609 0.02618 0.02623 0.02627 0.02631 0.02638 0.02650 0.02660 0.02663 0.02674 0.02680 0.02684 0.02702 0.02726 0.02742 0.02757 0.02761 0.02771 0.02791 0.02809 0.02831 0.02877 0.02888 0.02902 0.02924 0.02990 0.03152 0.03172 0.03335 0.03363 0.03395 0.03457 0.03533 0.03697 0.03759 0.03810 0.03878 0.03912 0.03934 0.04115 0.04279 0.04385 0.04741 0.05243 0.05352 0.05516 0.05607 0.05762 0.06014 0.06113 0.06695 0.06961 0.07789 0.08555 0.09923 0.10420 0.10936 0.11734 0.11943 0.12198 0.12252 0.12350 0.12430 0.12485 0.12576 0.12710 0.12746 0.12762 0.12833 0.12904 0.12926 0.12961 0.13019 0.13115 0.13205 0.13270 0.13410 0.13722 0.14021 0.14386 0.14697 0.14760 0.14808 0.14934 0.15356 0.17391 0.18682 0.19015 0.19739 0.20123 0.20427 0.21002 0.21407 0.21787 0.21951 0.22353 0.22467 0.22597 0.22840 0.22971 0.23228 0.23602 0.23757 0.24254 0.24722 0.25156 0.25364 0.25415 0.26071 0.26375 0.26537 0.26705 0.27042 0.28606 0.29199 0.31162 0.31261 0.31710 0.31753 0.33097 0.33232 0.33454 0.34060 0.34314 0.34618 0.34651 0.35117 0.35414 0.35446 0.35614 0.35654 0.35748 0.35846 0.36036 0.36054 0.36195 0.36348 0.36385 0.36501 0.36577 0.36644 0.36894 0.37150 0.37240 0.37341 0.37432 0.37478 0.37601 0.37813 0.38531 0.40036 0.40190 0.40362 0.40392 0.40453 0.40474 0.40498 0.40610 0.40690 0.40782 0.41273 0.41358 0.41614 0.41709 0.42391 0.42655 0.42879 0.43244 0.43410 0.43474 0.43578 0.43617 0.43870 0.44002 0.44607 0.45856 0.47856 0.51564 0.63951 -1.38313370e-06 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 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 D416 2.75260 2.66616 2.75154 2.65180 2.75930 2.75947 2.75263 2.66235 2.74906 2.75348 2.76521 2.75501 2.76082 2.65411 2.74893 2.66180 2.66225 2.76501 2.75345 2.75146 2.66620 2.66195 2.76094 2.76540 2.75511 2.66927 2.76632 2.76704 2.76598 2.67115 2.66196 2.76050 2.75083 2.75286 2.75493 2.76550 2.66867 2.75505 2.75279 2.76067 2.65414 2.66185 2.76596 2.75504 2.76699 2.66910 2.76502 2.76540 2.65415 2.65410 2.76081 2.75153 2.76051 2.75286 2.66195 2.75080 2.75495 2.76607 2.75341 2.66615 2.75931 2.65179 2.75258 2.74895 2.66227 2.66181 2.75498 2.66866 2.75280 2.66181 2.76068 2.76607 2.75500 2.67111 2.76688 4.91144 2.76695 4.91081 2.76529 2.66921 4.99359 2.66229 2.75947 2.74901 2.75262 2.75349 2.66620 2.75148 2.76095 2.66193 2.76550 2.76631 5.07157 2.66903 5.07261 1.79103 3.27439 3.27753 3.23237 1.79105 2.10348 1.87494 2.09995 2.08475 1.89447 2.09584 2.09572 2.08467 1.89460 2.10648 1.87987 2.09118 2.07877 2.10620 1.89069 2.09714 2.10075 1.88214 1.89233 2.08471 2.09872 1.88295 2.10534 2.09039 1.88009 2.10649 2.09125 2.10615 2.07870 1.89076 1.87493 2.10340 2.09977 2.09058 1.88307 2.10526 2.10606 2.07733 1.89150 2.08667 1.88030 2.09513 2.08562 1.88138 2.09367 1.87927 2.09433 2.08698 1.89127 2.07940 2.10413 2.10206 2.09201 1.88164 2.09946 2.08294 1.89273 2.07740 2.10633 1.89148 2.10004 1.88100 2.10008 2.10189 1.87606 2.10199 1.89264 2.08284 2.09953 1.88170 2.09196 2.10184 2.10417 2.07955 1.89132 2.08703 2.09457 1.87925 2.09373 1.88139 2.08570 2.09493 1.88048 2.08657 1.89230 2.08479 2.09883 2.09872 2.08469 1.89233 2.09946 2.08296 1.89272 2.10208 1.88165 2.09198 2.07936 2.10424 1.89130 1.88209 2.10080 2.09716 2.09584 1.89447 2.08473 1.88008 2.10650 2.09129 1.88295 2.10532 2.09042 2.10619 1.89143 2.07742 1.88104 2.10006 2.10001 2.10190 1.87606 2.10198 2.09191 1.88171 2.10185 2.10429 2.07953 1.89139 2.08697 1.87911 1.48345 2.09451 1.31674 2.08691 1.87930 1.48310 2.09437 1.88130 2.09367 2.08555 1.50277 1.89079 2.07879 2.10636 2.10645 2.09109 1.87989 2.09574 2.08468 1.89460 2.10614 1.89079 2.07867 1.88202 2.10083 2.09726 2.10339 1.87492 2.09977 2.08482 2.09882 1.89231 1.88305 2.09053 2.10529 2.07731 1.89158 2.10620 2.08657 2.09512 1.88026 1.53412 1.88045 2.08634 1.53436 2.09490 1.27443 1.88151 2.08585 2.09379 2.08287 2.09954 1.89263 2.09724 1.88199 2.10086 2.09994 1.87495 2.10346 0.99091 1.15110 0.98140 2.62611 2.28559 0.98160 1.15115 2.60791 2.29376 0.97339 2.04402 2.51642 1.65747 2.80743 1.66678 2.78890 1.87185 1.87397 -0.00228 -2.49461 2.49452 0.00219 -0.00225 2.41815 -2.41728 0.00312 -0.00226 -2.49660 2.49610 0.00176 0.00152 -2.41599 2.41905 0.00154 -0.00129 2.49143 -2.48878 0.00394 0.00390 -2.48838 2.49130 -0.00097 2.49414 -0.00224 0.00191 -2.49446 -0.00836 -2.42526 2.40725 -0.00965 2.50018 -0.00035 0.00118 -2.49935 0.00755 -2.49243 2.50489 0.00490 0.00990 2.48202 -2.47545 -0.00332 -2.50303 -0.00766 -0.00462 2.49075 0.00147 -2.49225 2.48970 -0.00402 -0.00211 2.41485 -2.41988 -0.00292 -0.00011 -2.49953 2.50014 0.00072 0.00972 2.42624 -2.40885 0.00767 -2.42539 -0.00853 -0.00923 2.40763 2.48211 0.00933 -0.00314 -2.47593 0.00780 -2.49227 2.50506 0.00498 -0.00213 -2.49672 2.49584 0.00125 -0.00243 2.41798 -2.41705 0.00336 0.00704 -2.40902 2.42601 0.00995 0.00154 2.49001 -2.49257 -0.00410 -0.00675 -2.48121 2.47703 0.00257 2.49211 -0.00888 -0.00424 -2.50523 -0.00167 -2.39277 2.39107 -0.00003 2.47053 0.00008 -0.00009 -2.47054 0.00046 -2.46832 2.46894 0.00016 0.00257 -2.48198 2.47469 -0.00985 2.39033 -0.00017 0.00022 -2.39028 0.00731 -2.40625 2.42316 0.00960 -0.00251 -2.48917 2.48794 0.00128 2.49486 0.00034 -0.00002 -2.49454 0.00394 -2.49592 2.49782 -0.00203 -0.00867 2.49235 -2.50554 -0.00452 -2.48137 -0.00752 -1.21374 0.00284 2.47669 1.27048 0.00185 2.41975 -2.41979 -0.00189 -2.49217 0.00448 0.00883 2.50549 0.00202 2.49576 -2.49779 -0.00405 -0.00124 2.48892 -2.48769 0.00247 -2.41499 0.00305 0.00174 2.41979 -0.01001 2.40622 -2.42327 -0.00705 0.00970 2.48227 -2.47522 -0.00265 -2.49098 0.00757 0.00472 2.50327 0.00005 2.46872 -2.46909 -0.00042 0.00008 2.39272 -2.39121 0.00142 -2.48189 0.00334 -0.00958 2.47566 2.48128 -0.00271 0.00705 -2.47694 2.41500 -0.00177 -0.00300 -2.41978 2.41986 0.00289 0.00213 -2.41484 -2.48966 0.00409 -0.00147 2.49228 -0.00175 2.49659 -2.49605 0.00228 0.00247 -2.48797 2.48915 -0.00128 -0.00394 2.49591 -2.49784 0.00201 -0.00729 -2.42328 2.40627 -0.00973 2.49451 0.00005 -0.00037 -2.49484 -2.49076 0.00767 0.00478 2.50321 0.00994 2.48207 1.20870 -2.47471 -0.00257 -1.27595 -0.00515 2.49261 -2.50517 -0.00741 -0.00315 -2.41817 2.41724 0.00222 2.48880 -0.00400 0.00133 -2.49147 -2.41904 -0.00150 -0.00152 2.41601 -0.00223 2.49455 -2.49455 0.00224 0.00009 -2.50018 2.49957 -0.00070 2.42545 0.00859 0.00922 -2.40764 -2.42604 -0.00981 -0.00745 2.40879 0.00430 2.50531 -2.49228 0.00873 2.41979 0.00189 -0.00186 -2.41976 -2.49576 -0.00198 0.00405 2.49783 0.01023 -2.40628 2.42343 0.00692 2.48769 0.00120 -0.00239 -2.48888 -0.00996 -2.48217 -1.20839 2.47518 0.00298 1.27676 2.49105 -0.00744 -0.00492 -2.50342 -0.00011 -2.39022 2.38995 -0.00016 0.00010 2.46928 -2.46868 0.00051 -1.39247 1.07671 2.67357 -3.02294 -2.41882 -2.08970 0.30615 -1.69461 -1.10793 -0.50381 -0.17469 2.22115 -0.00061 -2.46885 2.46814 -0.00010 2.41931 3.02344 2.03355 -0.33410 0.00357 -2.48215 2.47549 -0.01023 1.22241 -1.26331 2.39250 0.00002 0.00167 -2.39082 -2.44030 2.63827 1.28738 -0.42354 0.00815 -2.40734 2.42551 0.01002 -0.00377 -2.49119 2.48836 0.00094 2.49925 -0.00125 0.00037 -2.50014 0.00222 -2.49413 2.49447 -0.00187 -0.00497 -2.50508 2.49227 -0.00784 -2.41802 -0.00344 0.00245 2.41703 2.49673 0.00210 -0.00121 -2.49584 -2.49005 0.00400 -0.00153 2.49252 2.40907 -0.00730 -0.00985 -2.42622 -2.47698 -0.00273 -1.27108 0.00704 2.48129 1.21294 2.47031 0.00033 -0.00006 -2.47004 3.02355 -2.65739 0.29087 -0.56166 -0.00094 -2.39279 2.39125 -0.00059 1.35130 -1.04054 2.65691 -3.02408 -2.40484 -0.32392 0.60131 0.53110 1.13329 1.75254 -2.44973 -1.52450 2.57556 -2.56022 -2.48911 -2.87962 2.84887 -2.78445 2.75934 1.96514 0.90282 -0.98451 -0.00003 -0.00002 -0.00002 0.00000 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-1.27567 -0.00479 2.49260 -2.50503 -0.00764 -0.00317 -2.41847 2.41755 0.00224 2.48884 -0.00411 0.00158 -2.49137 -2.41886 -0.00151 -0.00162 2.41574 -0.00254 2.49447 -2.49463 0.00238 -0.00000 -2.50037 2.49960 -0.00076 2.42564 0.00875 0.00923 -2.40766 -2.42614 -0.00989 -0.00748 2.40878 0.00437 2.50534 -2.49214 0.00883 2.41973 0.00178 -0.00185 -2.41979 -2.49578 -0.00200 0.00408 2.49786 0.01011 -2.40625 2.42322 0.00686 2.48775 0.00124 -0.00222 -2.48873 -0.00989 -2.48239 -1.20848 2.47520 0.00269 1.27660 2.49114 -0.00747 -0.00473 -2.50334 -0.00018 -2.39042 2.39024 -0.00001 0.00038 2.46947 -2.46871 0.00038 -1.39266 1.07643 2.67349 -3.02295 -2.41877 -2.08954 0.30667 -1.69473 -1.10798 -0.50380 -0.17458 2.22164 -0.00054 -2.46898 2.46827 -0.00017 2.41939 3.02360 2.03417 -0.33362 0.00330 -2.48209 2.47536 -0.01003 1.22229 -1.26310 2.39258 -0.00002 0.00159 -2.39101 -2.44011 2.63841 1.28783 -0.42341 0.00844 -2.40721 2.42541 0.00976 -0.00389 -2.49119 2.48840 0.00110 2.49932 -0.00104 0.00031 -2.50006 0.00229 -2.49419 2.49439 -0.00208 -0.00494 -2.50517 2.49230 -0.00793 -2.41818 -0.00340 0.00243 2.41720 2.49672 0.00227 -0.00134 -2.49579 -2.48994 0.00399 -0.00160 2.49233 2.40901 -0.00740 -0.00979 -2.42619 -2.47703 -0.00271 -1.27113 0.00707 2.48140 1.21298 2.47041 0.00039 -0.00005 -2.47006 3.02358 -2.65737 0.29114 -0.56267 -0.00101 -2.39273 2.39115 -0.00057 1.35140 -1.04032 2.65692 -3.02408 -2.40475 -0.32379 0.60119 0.53107 1.13325 1.75258 -2.44965 -1.52466 2.57589 -2.56005 -2.48859 -2.87906 2.84931 -2.78466 2.75926 1.96527 0.90390 -0.98422 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000168 0.000018 0.001797 0.000175 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -6.409415e-07 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 1 1 1 2 2 3 3 4 4 5 5 6 7 7 8 8 9 10 10 11 11 12 12 13 13 14 14 15 16 16 17 18 18 19 20 20 21 21 22 23 23 24 25 25 26 27 27 28 29 30 30 30 31 31 32 32 33 33 34 34 35 35 35 36 36 37 38 39 40 41 41 42 42 43 43 43 44 44 45 45 45 46 47 47 48 49 50 51 52 53 54 55 55 56 56 61 61 62 62 63 2 6 7 3 9 4 11 5 12 6 15 17 8 19 9 20 10 57 59 29 59 13 29 14 39 15 28 16 17 26 18 19 24 22 21 56 22 54 23 24 52 25 26 50 27 28 49 38 58 31 37 60 32 40 33 41 34 44 46 60 36 48 60 37 49 38 39 40 58 42 58 43 59 44 57 61 45 61 46 55 61 47 48 53 51 50 51 52 53 54 55 56 61 57 61 62 64 63 64 64 1.4566 1.4109 1.4561 1.4033 1.4602 1.4603 1.4566 1.4089 1.4547 1.4571 1.4633 1.4579 1.461 1.4045 1.4547 1.4086 1.4088 1.4632 1.4571 1.456 1.4109 1.4086 1.461 1.4634 1.4579 1.4125 1.4639 1.4643 1.4637 1.4135 1.4087 1.4608 1.4557 1.4567 1.4578 1.4634 1.4122 1.4579 1.4567 1.4609 1.4045 1.4086 1.4637 1.4579 1.4642 1.4124 1.4632 1.4634 1.4045 1.4045 1.461 1.456 1.4608 1.4568 1.4086 1.4557 1.4579 1.4637 1.457 1.4109 1.4602 1.4033 1.4566 1.4547 1.4088 1.4086 1.4579 1.4122 1.4567 1.4086 1.4609 1.4637 1.4579 1.4135 1.4642 2.599 1.4642 2.5987 1.4633 1.4125 2.6425 1.4088 1.4603 1.4547 1.4566 1.4571 1.4109 1.456 1.461 1.4086 1.4634 1.4639 2.6838 1.4124 2.6843 0.9478 1.7327 1.7344 1.7105 0.9478 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0002|-DE/DX = 0.0|-DE/DX = 0.0001 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 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 1 1 8 7 7 9 2 2 8 9 9 57 3 3 29 4 4 13 12 12 14 13 13 15 5 5 14 15 15 17 6 6 16 17 17 19 7 7 18 8 8 21 20 20 22 19 19 21 22 22 24 18 18 23 24 24 26 16 16 25 26 26 28 14 14 27 11 11 12 31 31 37 30 30 32 31 31 33 32 32 34 33 33 46 36 36 48 35 35 37 30 30 36 28 28 37 13 13 38 31 31 39 32 32 42 41 41 43 42 42 42 44 57 33 33 33 43 44 44 46 46 34 34 45 46 46 48 35 35 47 27 27 36 25 25 49 48 48 50 23 23 51 47 47 52 21 21 53 45 45 54 54 20 20 20 55 57 10 10 43 29 29 40 10 10 11 30 30 34 43 43 43 43 43 44 44 44 44 45 45 45 55 55 56 56 61 61 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 35 35 35 36 36 36 37 37 37 38 38 38 39 39 39 40 40 40 41 41 41 42 42 42 43 43 43 43 43 44 44 44 44 45 45 45 45 46 46 46 47 47 47 48 48 48 49 49 49 50 50 50 51 51 51 52 52 52 53 53 53 54 54 54 55 55 55 55 56 56 56 56 56 57 57 57 58 58 58 59 59 59 60 60 60 61 61 61 61 61 61 61 61 61 61 61 61 61 61 61 61 62 64 6 7 7 3 9 9 4 11 11 5 12 12 6 15 15 5 17 17 8 19 19 9 20 20 8 10 10 57 59 59 29 59 59 13 29 29 14 39 39 15 28 28 14 16 16 17 26 26 16 18 18 19 24 24 18 22 22 21 56 56 22 54 54 21 23 23 24 52 52 23 25 25 26 50 50 25 27 27 28 49 49 27 38 38 12 58 58 37 60 60 32 40 40 33 41 41 34 44 44 46 60 60 48 60 60 37 49 49 36 38 38 37 39 39 38 40 40 39 58 58 42 58 58 43 59 59 44 57 61 57 61 43 45 61 45 46 55 55 61 45 47 47 48 53 53 47 51 51 36 50 50 49 51 51 50 52 52 51 53 53 52 54 54 53 55 55 54 56 56 61 55 57 61 57 61 43 56 56 40 41 41 11 42 42 34 35 35 45 55 56 62 64 55 56 62 64 56 62 64 62 64 62 64 63 63 120.5206 107.4259 120.3184 119.4473 108.5451 120.0825 120.076 119.4431 108.5528 120.6922 107.7084 119.8157 119.1048 120.6763 108.3288 120.1574 120.3644 107.839 108.4227 119.4451 120.2478 107.8849 120.6269 119.7705 107.7213 120.6929 119.8197 120.6732 119.101 108.3328 107.4259 120.5157 120.3081 119.7812 107.8918 120.6224 120.6686 119.0223 108.3752 119.5573 107.7335 120.0423 119.4974 107.7953 119.9586 107.6743 119.9965 119.5749 108.3619 119.141 120.5578 120.4392 119.8636 107.8103 120.2904 119.344 108.4453 119.026 120.684 108.3739 120.3236 107.7735 120.3256 120.4294 107.4904 120.4351 108.4401 119.338 120.2944 107.8138 119.8606 120.4267 120.5602 119.1493 108.3644 119.5782 120.0102 107.6729 119.9618 107.7956 119.5015 120.0306 107.7438 119.5518 108.4209 119.4497 120.2542 120.2476 119.444 108.4225 120.2904 119.345 108.4449 120.4405 107.8107 119.8617 119.1387 120.5639 108.3632 107.8356 120.3671 120.1587 120.0829 108.545 119.4463 107.7207 120.6935 119.8222 107.8849 120.6262 119.772 120.6758 108.371 119.0271 107.7759 120.3248 120.3217 120.4299 107.4906 120.4343 119.8575 107.8142 120.427 120.5667 119.1485 108.3688 119.5745 107.665 84.9956 120.0068 75.4436 119.5708 107.6757 84.9752 119.9988 107.7905 119.9586 119.4931 86.1025 108.3341 119.1057 120.6856 120.6909 119.8108 107.71 120.0772 119.4433 108.5523 120.6732 108.3345 119.099 107.8319 120.3688 120.1643 120.5152 107.4251 120.3082 119.4512 120.2537 108.4215 107.8909 119.7786 120.6241 119.021 108.3793 120.6764 119.5517 120.0413 107.7307 87.8988 107.7419 119.5386 87.9124 120.0289 73.0193 107.8027 119.5104 119.9656 119.3394 120.2951 108.4395 120.163 107.8299 120.3702 120.3178 107.4268 120.5196 56.7748 65.9534 56.2302 150.4648 130.9547 56.2413 65.956 149.4222 131.4228 55.7709 117.1137 144.1803 94.9663 160.8539 95.4994 159.792 107.2491 107.3708 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 D348 D349 D350 D351 D352 D353 D354 D355 D356 D357 D358 D359 D360 D361 D362 D363 D364 D365 D366 D367 D368 D369 D370 D371 D372 D373 D374 D375 D376 D377 D378 D379 D380 D381 D382 D383 D384 D385 D386 D387 D388 D389 D390 D391 D392 D393 D394 D395 D396 D397 D398 D399 D400 D401 D402 D403 D404 D405 D406 D407 D408 D409 D410 D411 D412 D413 D414 D415 6 6 7 7 2 2 7 7 2 2 6 6 1 1 9 9 1 1 3 3 2 2 11 11 2 2 4 4 3 3 12 12 3 3 5 5 4 4 15 15 4 4 6 6 1 1 5 5 1 1 19 19 1 1 8 8 7 7 20 20 7 7 9 9 2 2 8 8 9 9 59 59 9 9 57 57 3 3 59 59 3 3 29 29 4 4 29 29 4 4 13 13 12 12 39 39 12 12 14 14 13 13 28 28 13 13 15 15 5 5 14 14 15 15 26 26 15 15 17 17 6 6 16 16 17 17 24 24 17 17 19 19 7 7 18 18 8 8 56 56 8 8 8 21 21 21 20 20 54 54 20 20 22 22 19 19 21 21 22 22 52 52 22 22 24 24 18 18 23 23 24 24 50 50 24 24 26 26 16 16 25 25 26 26 49 49 26 26 28 28 14 14 27 27 11 11 12 12 37 37 60 60 31 31 60 60 31 31 37 37 30 30 40 40 30 30 32 32 31 31 41 41 31 31 33 33 32 32 44 44 32 32 32 34 34 34 33 33 60 60 33 33 46 46 48 48 60 60 36 36 60 60 36 36 48 48 35 35 49 49 35 35 37 37 30 30 36 36 28 28 37 37 13 13 38 38 31 31 39 39 32 32 58 58 32 32 42 42 41 41 41 59 59 59 41 41 43 43 42 42 57 57 42 42 44 44 61 61 42 42 42 42 42 57 57 57 57 57 33 33 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38 58 58 58 58 31 31 31 31 37 37 37 37 60 60 60 60 32 32 32 32 40 40 40 40 33 33 33 33 41 41 41 41 34 34 34 34 44 44 44 44 44 44 46 46 46 46 60 60 60 60 36 36 36 36 48 48 48 48 60 60 60 60 37 37 37 37 49 49 49 49 38 38 38 38 39 39 39 39 40 40 40 40 58 58 58 58 42 42 42 42 58 58 58 58 43 43 43 43 43 43 59 59 59 59 44 44 44 44 57 57 57 57 57 57 61 61 61 61 61 61 61 61 61 61 45 45 45 45 61 61 61 61 46 46 46 46 46 46 55 55 55 55 61 61 61 61 47 47 47 47 48 48 48 48 53 53 53 53 51 51 51 51 50 50 50 50 51 51 51 51 52 52 52 52 53 53 53 53 54 54 54 54 55 55 55 55 55 55 56 56 56 56 61 61 61 61 57 57 57 57 57 57 61 61 61 61 61 61 61 61 61 61 62 62 62 62 62 64 64 64 64 3 9 3 9 5 17 5 17 8 19 8 19 4 11 4 11 8 10 8 10 5 12 5 12 29 59 29 59 6 15 6 15 13 29 13 29 1 17 1 17 14 16 14 16 16 18 16 18 9 20 9 20 18 22 18 22 2 10 2 10 21 56 21 56 57 59 57 59 43 56 43 56 11 42 11 42 12 58 12 58 10 42 10 42 14 39 14 39 11 58 11 58 15 28 15 28 38 40 38 40 5 16 5 16 27 38 27 38 17 26 17 26 6 18 6 18 25 27 25 27 19 24 19 24 7 22 7 22 23 25 23 25 21 23 21 23 22 54 22 54 55 57 61 55 57 61 19 23 19 23 53 55 53 55 24 52 24 52 18 25 18 25 51 53 51 53 26 50 26 50 16 27 16 27 49 51 49 51 28 49 28 49 14 38 14 38 36 50 36 50 37 39 37 39 40 41 40 41 32 40 32 40 36 38 36 38 34 35 34 35 33 41 33 41 39 58 39 58 34 44 34 44 42 58 42 58 46 60 46 60 43 45 61 43 45 61 45 47 45 47 30 35 30 35 37 49 37 49 47 51 47 51 30 34 30 34 30 38 30 38 27 50 27 50 28 39 28 39 13 40 13 40 31 58 31 58 29 41 29 41 43 59 43 59 29 40 29 40 44 57 61 44 57 61 10 11 10 11 33 45 33 45 10 56 10 56 10 56 45 55 56 62 64 45 55 56 62 64 46 55 46 55 55 56 62 64 34 47 34 47 34 47 54 56 54 56 43 56 62 64 48 53 48 53 35 51 35 51 52 54 52 54 50 52 50 52 25 51 25 51 48 52 48 52 23 53 23 53 47 54 47 54 21 55 21 55 45 56 61 45 56 61 20 57 20 57 43 44 62 64 10 43 10 43 10 43 43 44 45 62 64 43 44 45 62 64 63 63 63 63 63 63 63 63 63 -0.1307 -142.9307 142.9255 0.1255 -0.1289 138.5499 -138.5001 0.1787 -0.1293 -143.0445 143.016 0.1008 0.0869 -138.4261 138.6014 0.0884 -0.0739 142.7487 -142.5968 0.2258 0.2234 -142.5734 142.7411 -0.0556 142.9034 -0.1282 0.1096 -142.922 -0.4787 -138.9574 137.9255 -0.5532 143.25 -0.02 0.0679 -143.2021 0.4329 -142.8059 143.5196 0.2808 0.567 142.2095 -141.8326 -0.1901 -143.4129 -0.4387 -0.2645 142.7097 0.0844 -142.7951 142.6493 -0.2303 -0.1209 138.3608 -138.6488 -0.167 -0.0065 -143.2127 143.2477 0.0415 0.5569 139.0132 -138.017 0.4393 -138.9648 -0.4888 -0.5287 137.9473 142.2145 0.5345 -0.1802 -141.8602 0.447 -142.7968 143.5291 0.2854 -0.1218 -143.0517 143.0013 0.0714 -0.1393 138.5399 -138.4868 0.1923 0.4032 -138.0269 139.0001 0.57 0.0882 142.6671 -142.814 -0.2351 -0.3867 -142.1627 141.9234 0.1475 142.7874 -0.5087 -0.2432 -143.5392 -0.0955 -137.0954 136.9984 -0.0015 141.551 0.0048 -0.0054 -141.5515 0.0264 -141.4244 141.4597 0.0089 0.1471 -142.207 141.7895 -0.5646 136.9557 -0.0095 0.0124 -136.9528 0.4189 -137.8679 138.837 0.5502 -0.1438 -142.6192 142.5486 0.0732 142.9447 0.0195 -0.0013 -142.9265 0.2257 -143.0054 143.1146 -0.1165 -0.4969 142.8009 -143.5569 -0.2591 -142.1723 -0.4309 -69.5419 0.1626 141.904 72.7929 0.1061 138.6415 -138.6436 -0.1082 -142.7911 0.2568 0.5058 143.5537 0.1157 142.9965 -143.1129 -0.2321 -0.0711 142.6046 -142.5339 0.1418 -138.3689 0.175 0.0998 138.6437 -0.5733 137.866 -138.843 -0.4037 0.5557 142.2234 -141.8197 -0.1521 -142.7226 0.4338 0.2702 143.4265 0.0027 141.4473 -141.4686 -0.024 0.0048 137.0927 -137.0063 0.0816 -142.2021 0.1912 -0.5487 141.8446 142.1667 -0.1553 0.4038 -141.9183 138.3691 -0.1017 -0.1721 -138.6429 138.6479 0.1654 0.1223 -138.3601 -142.6469 0.2345 -0.0844 142.797 -0.1001 143.0439 -143.0134 0.1307 0.1414 -142.55 142.618 -0.0733 -0.2258 143.0049 -143.1154 0.1153 -0.4176 -138.8439 137.869 -0.5573 142.9251 0.0028 -0.0212 -142.9436 -142.7099 0.4395 0.2737 143.4232 0.5693 142.2124 69.2531 -141.7906 -0.1475 -73.1068 -0.2953 142.8161 -143.5358 -0.4244 -0.1806 -138.551 138.4979 0.1274 142.5977 -0.2293 0.0763 -142.7507 -138.6005 -0.0862 -0.0873 138.427 -0.1278 142.9273 -142.9269 0.1281 0.005 -143.25 143.2147 -0.0403 138.968 0.4921 0.5283 -137.9476 -139.002 -0.5618 -0.4268 138.0134 0.2462 143.5435 -142.7972 0.5001 138.6435 0.1081 -0.1068 -138.6422 -142.9966 -0.1136 0.2321 143.1152 0.5861 -137.8699 138.8524 0.3964 142.5343 0.0688 -0.1371 -142.6025 -0.5709 -142.2179 -69.2356 141.8176 0.1706 73.1529 142.7268 -0.4264 -0.2819 -143.4352 -0.0061 -136.9494 136.9343 -0.009 0.0058 141.4796 -141.4447 0.0291 -79.7827 61.6911 153.1843 -173.2016 -138.5881 -119.7307 17.5409 -97.094 -63.4799 -28.8664 -10.009 127.2627 -0.0348 -141.4545 141.4137 -0.0059 138.6164 173.2306 116.5137 -19.1427 0.2043 -142.2168 141.8352 -0.5859 70.039 -72.3821 137.0802 0.0011 0.0955 -136.9836 -139.819 151.1619 73.7613 -24.2668 0.4672 -137.9304 138.9716 0.5741 -0.2158 -142.735 142.5727 0.0536 143.1965 -0.0718 0.021 -143.2474 0.1272 -142.9029 142.9229 -0.1072 -0.285 -143.5306 142.7966 -0.449 -138.5425 -0.197 0.1401 138.4857 143.0519 0.1201 -0.0695 -143.0013 -142.6694 0.2292 -0.0878 142.8109 138.0296 -0.4181 -0.5642 -139.0119 -141.9204 -0.1567 -72.8277 0.4035 142.1672 69.4961 141.5383 0.019 -0.0036 -141.5229 173.2368 -152.257 16.6658 -32.1807 -0.0541 -137.0967 137.0087 -0.0339 77.4239 -59.6188 152.2299 -173.2673 -137.7869 -18.5592 34.4528 30.4299 64.9327 100.413 -140.3593 -87.3473 147.5685 -146.6897 -142.6156 -164.9903 163.2282 -159.5374 158.0986 112.5945 51.7277 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX 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= 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 C60H2F2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 758.6388064000002 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AuxInfo=1/0/N:1,2,7,6,9,8,3,19,5,17,4,18,10,20,15,16,11,22,12,24,59,21,57,56,14,26,29,23,13,25,42,54,43,55,28,27,58,52,39,50,41,53,44,45,38,49,40,51,32,47,33,46,37,36,31,48,34,30,35,60;61;63/E:(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);;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.3,39.3,40.3,41.3,42.3,43.3,44.3,45.3,46.3,47.3,48.3,49.3,50.3,51.3,52.3,53.3,54.3,55.3,56.3,57.3,58.3,59.3,60.3;;/rA:64C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3FHFH/rB:s1;s2;s3;s4;s1s5;s1;s7;s2s8;s9;s3;s4;s12;s13;s5s14;s15;s6s16;s17;s7s18;s8;s20;s19s21;s22;s18s23;s24;s16s25;s26;s14s27;s11s12;;s30;s31;s32;s33;;s35;s30s36;s28s37;s13s38;s31s39;s32;s41;s42;s33s43;s44;s34s45;s46;s35s47;s27s36;s25s49;s48s50;s23s51;s47s52;s21s53;s45s54;s20s55;s10s43s56;s29s40s41;s10s11s42;s30s34s35;;s61;;s63;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.0833120 0.0815207 0.0815050 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 939 939 939 939 939 MxSgAt= 64 MxSgA2= 64. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 939 939 939 939 939 MxSgAt= 64 MxSgA2= 64. 1 1.15890156e-03 1.29227276e-05 -8.63083848e-04 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 9 1 9 1 -0.002063164 -0.002225904 0.001379571 -0.001350759 -0.001490812 0.003507758 0.001343483 -0.001428829 -0.003528955 -0.001290377 -0.002197018 -0.002370949 0.003088437 0.000063448 0.002052964 0.003375869 -0.000227525 0.000012917 -0.001574858 -0.003620890 -0.000282082 0.001276958 -0.003137158 0.000662163 0.001297602 -0.002233569 0.002313049 -0.003095801 0.000084113 -0.002056311 0.002075373 -0.002202992 -0.001431094 -0.001263072 -0.003133903 -0.000713765 0.002859855 0.001975196 -0.001206925 0.001259544 0.001218080 -0.003289560 0.001671038 -0.002229370 0.002539429 0.001572571 -0.003267932 0.000516888 0.002962800 -0.001948728 -0.001321362 -0.000982371 0.000934304 0.003339900 0.001658308 0.002114350 0.002941681 -0.002865536 0.001951245 0.001250991 -0.003340022 -0.000008740 0.000655611 0.002197579 -0.000017284 0.002562141 0.001661352 -0.002155912 0.002913778 -0.000979307 -0.001006579 0.003320654 0.002969944 0.001981816 -0.001283887 0.001577046 0.003270679 0.000580939 0.001661803 0.002183948 0.002597643 0.001257337 -0.001167247 -0.003318159 0.001579015 -0.003635202 0.000213924 0.001573915 0.003621280 0.000281134 -0.001659915 -0.002116541 -0.002940758 0.000982709 -0.000921441 -0.003336377 -0.002969037 0.001954848 0.001310319 -0.003384061 0.000220843 -0.000006552 0.001345864 0.001491329 -0.003506745 -0.001295274 0.002231026 -0.002324107 -0.001278599 0.003137737 -0.000654866 0.002862932 -0.001952505 -0.001245247 0.003328305 0.000008568 -0.000663428 -0.002187031 0.000018572 -0.002561287 0.000978824 0.000993924 -0.003317273 -0.002970721 -0.001989365 0.001275135 -0.001550811 -0.003272883 -0.000595196 -0.001538048 0.003265136 -0.000523556 -0.001645700 0.002228912 -0.002551567 -0.003093023 -0.000049873 -0.002054301 0.001291487 0.002199822 0.002360331 -0.001345885 0.001429118 0.003529983 0.003096525 -0.000090432 0.002059352 0.003366600 0.000223989 0.000019117 -0.002067313 0.002200472 0.001430046 -0.001583664 0.003635623 -0.000214888 0.001264014 0.003130235 0.000723683 -0.002862935 -0.001971307 0.001215763 -0.001232299 -0.001221156 0.003299588 -0.001224734 0.001165490 0.003329589 -0.001673896 -0.002187075 -0.002596224 -0.001663490 0.002157706 -0.002912897 -0.003372585 -0.000216368 -0.000017496 0.002071623 0.002227197 -0.001381723 0.000379180 -0.000011888 -0.000150692 0.000685001 -0.000018314 -0.000456764 -0.000502560 0.000021295 0.000158594 -0.000666044 0.000014445 0.000460358 0.003635623 0.002055101 (Enter /home/apps/g16/l716.exe) Closed 1 1 1 -2482.48118060872 -2482.48119162411 -0.000011015389 -2482.48118219656 0.000009427557 -2482.48119254160 -0.000010345046 -2482.48119269363 -0.000000152024 -2482.48119272840 -0.000000034777 -2482.48119273221 -0.000000003804 -2482.48119273353 -0.000000001319 -2482.48119273381 -0.000000000284 -2482.48119273366 0.000000000149 -2482.48119273 10 2.457369600416e+03 -2.451262664677e+04 1.019485932472e+04 Using DIIS extrapolation, IDIIS= 1040. NGot= 17448304640 LenX= 17446490410 LenY= 17445605870 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /home/apps/g16/l716.exe) PT224508.900S 2022-06-14T17:30:48.000 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 C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C F H F H 0.007261 -0.006433 -0.006518 -0.000052 0.000157 0.002438 -0.011182 -0.009550 0.000184 0.000596 0.007257 -0.010526 -0.017001 0.002921 0.014750 0.005894 0.001149 0.001637 -0.011435 -0.016106 -0.029050 -0.012692 -0.011906 0.001620 0.001078 0.005481 0.014762 0.003249 -0.011701 -0.011176 -0.011410 0.001796 0.001123 0.002547 -0.006387 0.000197 -0.009675 -0.016239 -0.029670 -0.012852 0.001732 0.001095 0.005556 0.005940 0.014746 0.000103 -0.000002 -0.006581 0.000503 0.002332 0.007228 -0.011701 -0.010452 -0.016797 0.003148 0.003582 0.014602 -0.011866 0.002396 0.007280 -0.169233 0.250180 -0.168657 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2.86627 2.87146 2.95049 2.95526 2.95791 2.97543 2.99532 3.00392 3.00979 3.01049 3.10287 3.10804 3.10845 3.11605 3.11634 3.18138 3.19293 3.19443 3.19448 3.23005 3.23665 3.23851 3.25140 3.25276 3.28497 3.31706 3.32951 3.33142 3.46985 3.48925 4.20576 4.27064 1-A. 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 C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C F H F H 0.007134 -0.006316 -0.006900 -0.000114 0.000143 0.001763 -0.010650 -0.009672 -0.000257 0.001032 0.007252 -0.011340 -0.016347 0.003254 0.014513 0.005870 0.001735 0.001230 -0.011949 -0.016010 -0.027605 -0.011120 -0.012515 0.001375 0.001429 0.005407 0.014313 0.004072 -0.011392 -0.010584 -0.011927 0.001190 0.001672 0.001943 -0.006249 -0.000143 -0.009820 -0.015596 -0.027765 -0.011020 0.001481 0.001111 0.005831 0.005716 0.014753 -0.000151 -0.000004 -0.006992 0.000859 0.001515 0.007358 -0.011456 -0.011285 -0.016517 0.003165 0.004394 0.013848 -0.012588 0.001650 0.007077 -0.169022 0.249223 -0.169179 0.249179 -0.00000 -6.86206170e-04 -7.88151520e-05 2.40446969e-04 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