28-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 80 80 155 155 1120 (5D, 7F) 6-311+G(d,p) 234 234 C1[X(C21H40N7O12)] C1[X(C21H40N7O12)] 542.2643999999999 1 1 AuxInfo=1/0/N:35,31,37,36,27,32,34,30,29,24,33,26,28,25,21,20,23,40,38,22,18,19,16,17,14,13,12,11,9,10,7,8,6,5,2,4,3,1;39,15/E:(21,22)(23,24);/CRV:4.3,18.3,19.3,25.2,26.2,28.1;1.3/rA:80nOOOOOOOOOOO1ON2N2NNNNNCCCCCCCCCCCCCCCCC3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;;;;;;;;s3;s1;s5s20;s1s2s20;s13s21;s6s21;s7s24;s2s22;s8s25;s14s26s28;s3s4;s30;s9s31;s10s32;s4s33;s27;s11s22;s12s34;s13s16s17;s15;s14s18s19;s20;s21;s23;s24;s25;s26;s27;s28;s29;s30;s31;s32;s33;s34;s35;s35;s35;s36;s5;s6;s15;s7;s8;s37;s37;s9;s10;s39;s39;s31;s12;s16;s16;s17;s17;s18;s18;s19;s19;s15;/rC:-1.1436,-1.5673,1.1186;-2.6881,-.4613,2.3309;-1.0103,1.7582,.4355;-.4862,1.9427,-1.8221;-3.4747,2.2638,1.4329;1.4311,-1.4378,2.8455;2.1193,-3.4387,-1.9255;1.7477,-4.5195,1.0704;1.9299,4.7943,.0549;3.1035,2.6645,-1.4763;-4.3057,.3869,-1.3766;.4307,-.0446,-3.4758;-.4492,-1.9045,-1.6214;3.1999,-1.196,.6782;-.1085,2.71,3.6672;-2.2667,-3.358,-1.191;-2.32,-1.878,-2.9476;4.6331,-.7835,-1.1559;4.228,.8404,.4284;-1.889,.6684,.4212;.2205,-1.702,.7522;-3.365,1.0642,.718;-1.5276,-.2988,1.576;.3447,-2.4752,-.5626;.9998,-2.3891,1.8911;1.8191,-2.416,-.9962;-3.8189,-.1745,1.5136;2.1936,-3.2154,1.3793;2.8177,-2.5032,.1813;-1.0289,2.5849,-.7024;-.2733,3.8547,-.3653;1.2226,3.6037,-.2217;1.7193,2.9152,-1.4917;.9029,1.6402,-1.7447;-5.0425,.0113,2.3727;-4.1849,1.2434,-.5361;1.3014,.9781,-3.0587;-1.6387,-2.351,-1.8584;-.4849,3.8169,3.1776;3.9824,-.4511,-.0117;-1.8393,.1231,-.5262;.6539,-.709,.5797;-.7494,.1241,2.2192;.0899,-3.5263,-.3819;.3148,-3.0709,2.4055;1.9575,-1.4342,-1.4686;-3.9906,-.999,.8102;2.9387,-3.254,2.1849;3.6894,-3.0844,-.1567;-2.0583,2.832,-.9885;-.4388,4.5655,-1.181;1.414,2.947,.6341;1.5442,3.5979,-2.335;1.0871,.9325,-.9216;-5.899,.2716,1.7504;-5.2852,-.9157,2.8916;-4.9107,.7945,3.1185;-4.6852,2.2216,-.6343;-3.0377,2.1818,2.2897;2.135,-.95,2.3801;.8571,2.5529,3.94;1.4825,-3.368,-2.6464;2.4717,-4.9935,.6465;1.3163,1.7317,-3.8535;2.3298,.6141,-2.9475;1.7533,5.4196,-.6581;3.3296,2.0448,-.7531;.2297,4.6192,3.0643;-1.5191,3.951,2.8975;-.6949,4.3098,.5331;.2442,-.6793,-2.739;-3.2428,-3.5113,-1.3887;-2.0191,-3.5091,-.2284;-1.9432,-1.031,-3.3429;-3.3257,-1.8602,-2.8722;4.347,-1.6105,-1.6528;4.9588,-.0362,-1.7486;5.1748,1.1636,.2738;3.9465,.9779,1.3889;-.7565,1.9347,3.776; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-6516492/Gau-3043225.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-6516492/" chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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=4,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=1/2 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=4,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 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 Optimization streptomycin CONF174 water 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 16 16 16 16 16 16 16 16 16 16 16 16 14 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 -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 /usr/local/gaussian/gaussian16/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 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 12 12 13 13 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 23 24 24 25 25 26 26 27 27 28 28 29 30 30 31 31 31 32 32 33 33 34 34 35 35 35 36 37 37 39 39 43 59 69 21 23 23 27 20 30 30 34 22 59 25 60 26 62 28 63 32 66 33 67 36 37 71 24 38 29 40 39 61 80 38 72 73 38 74 75 40 76 77 40 78 79 22 23 41 24 25 42 27 36 43 26 44 28 45 29 46 35 47 29 48 49 31 50 32 51 70 33 52 34 53 37 54 55 56 57 58 64 65 68 69 80 69 70 1.4189 1.4021 1.3939 1.4244 1.4 1.4066 1.4003 1.4238 1.4007 0.9653 1.4148 0.9747 1.414 0.9645 1.4125 0.9636 1.4121 0.9646 1.4067 0.9789 1.2062 1.4064 0.9903 1.4412 1.2926 1.4498 1.2818 1.2675 1.0156 1.0164 1.3615 1.0076 1.0054 1.369 1.0078 1.0087 1.3577 1.0063 1.0079 1.3863 1.0123 1.0103 1.5567 1.5491 1.0943 1.5303 1.5416 1.0971 1.5406 1.509 1.0946 1.538 1.0965 1.5395 1.0949 1.5465 1.0983 1.5066 1.0973 1.527 1.098 1.1008 1.5156 1.0965 1.5236 1.0946 1.0917 1.5277 1.0956 1.5349 1.099 1.5244 1.1011 1.0903 1.0897 1.0895 1.103 1.0953 1.0966 1.0803 1.0799 2.3878 2.4095 2.5296 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 21 23 20 30 22 25 26 28 32 33 37 24 29 39 39 61 38 38 72 38 38 74 40 40 76 40 40 78 3 3 3 22 22 23 1 1 1 24 24 25 5 5 5 20 20 27 1 1 1 2 2 20 13 13 13 21 21 26 6 6 6 21 21 28 7 7 7 24 24 29 2 2 2 22 22 35 8 8 8 25 25 29 14 14 14 26 26 28 3 3 3 4 4 31 30 30 30 32 32 51 9 9 9 31 31 33 10 10 10 32 32 34 4 4 4 33 33 37 27 27 27 55 55 56 11 11 22 12 12 12 34 34 64 13 13 16 15 15 68 14 14 18 23 5 39 39 59 31 15 1 2 3 4 5 6 7 8 9 10 12 13 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 30 30 30 30 30 30 31 31 31 31 31 31 32 32 32 32 32 32 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 35 35 35 36 36 36 37 37 37 37 37 37 38 38 38 39 39 39 40 40 40 43 59 69 69 69 70 80 23 27 30 34 59 60 62 63 66 67 71 38 40 61 80 80 72 73 73 74 75 75 76 77 77 78 79 79 22 23 41 23 41 41 24 25 42 25 42 42 20 27 36 27 36 36 2 20 43 20 43 43 21 26 44 26 44 44 21 28 45 28 45 45 24 29 46 29 46 46 22 35 47 35 47 47 25 29 48 29 48 48 26 28 49 28 49 49 4 31 50 31 50 50 32 51 70 51 70 70 31 33 52 33 52 52 32 34 53 34 53 53 33 37 54 37 54 54 55 56 57 56 57 57 22 58 58 34 64 65 64 65 65 16 17 17 68 69 69 18 19 19 80 69 59 70 70 69 43 115.6886 109.0667 116.1617 115.6018 110.1719 103.5634 107.3434 108.2453 108.0616 110.3808 111.2262 120.3263 120.0333 121.4124 121.2129 117.3492 117.5903 117.8307 113.7997 114.6094 116.2806 112.7841 118.7524 117.9643 114.262 114.4998 112.2774 111.2421 113.2838 109.3878 111.6074 103.7581 109.5672 108.8807 110.3537 109.7315 109.5379 111.6261 106.8618 108.6585 112.9118 113.6971 106.2549 99.9842 112.7655 111.3802 107.4107 112.6814 110.2711 106.4005 108.5846 111.2646 112.7341 107.8002 111.879 107.4947 108.894 107.8251 110.6573 110.4138 107.0088 112.6817 107.9572 107.8883 111.1613 108.8153 109.7023 113.7147 106.0496 107.2501 102.9629 110.0265 109.9223 115.7601 108.6102 109.3386 108.8715 112.8347 110.0106 109.1154 107.5241 108.3438 112.3528 105.0343 111.8712 111.0854 107.8979 108.561 111.8478 107.8089 110.8487 111.6502 104.9855 109.7103 111.8702 107.6338 109.864 109.0049 111.7311 106.5046 111.799 112.3339 105.363 108.3672 110.1121 108.8051 113.0239 112.1553 106.0102 109.786 107.8247 107.7459 110.5752 107.486 109.9019 111.3331 108.7639 108.755 110.0011 110.3333 112.3784 107.4519 108.3157 108.207 123.3162 121.4858 115.1954 114.1808 107.0711 111.6664 109.2813 107.576 106.8108 126.1619 118.9822 114.5842 119.5118 119.5407 120.9366 127.1473 118.6034 114.2471 132.3671 116.5442 125.3003 87.0161 94.2267 146.705 120.4501 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 23 23 23 21 21 21 27 27 27 23 23 23 30 30 30 20 20 20 34 34 34 30 30 30 59 59 59 22 60 60 60 62 62 62 63 63 63 66 66 66 67 67 67 71 71 71 38 38 38 24 24 40 40 40 29 29 61 61 80 80 39 61 72 72 73 73 74 74 75 75 76 76 77 77 78 78 79 79 3 3 3 23 23 23 41 41 41 3 3 3 22 22 22 41 41 41 1 1 1 25 25 25 42 42 42 1 1 1 24 24 24 42 42 42 5 5 5 20 20 20 36 36 36 5 5 20 20 27 27 1 2 20 13 13 13 21 21 21 44 44 44 6 6 6 21 21 21 45 45 45 7 7 7 24 24 24 46 46 46 2 2 2 22 22 22 47 47 47 8 8 8 25 25 25 48 48 48 3 3 3 4 4 4 50 50 50 30 30 30 51 51 51 70 70 70 30 32 51 9 9 9 31 31 31 52 52 52 10 10 10 32 32 32 53 53 53 4 4 4 33 33 33 54 54 54 15 15 68 68 23 5 5 39 59 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 12 12 12 13 13 13 13 13 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 23 23 23 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 26 26 26 26 26 26 26 26 26 27 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 30 30 30 30 30 30 30 30 30 31 31 31 31 31 31 31 31 31 31 31 31 32 32 32 32 32 32 32 32 32 33 33 33 33 33 33 33 33 33 34 34 34 34 34 34 34 34 34 39 39 39 39 43 59 59 69 69 21 21 21 23 23 23 23 23 23 27 27 27 20 20 20 30 30 30 30 30 30 34 34 34 22 22 22 59 25 25 25 26 26 26 28 28 28 32 32 32 33 33 33 37 37 37 24 24 24 38 38 29 29 29 40 40 39 39 39 39 80 80 38 38 38 38 38 38 38 38 40 40 40 40 40 40 40 40 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 27 27 27 27 27 27 27 27 27 36 36 36 36 36 36 43 43 43 26 26 26 26 26 26 26 26 26 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 35 35 35 35 35 35 35 35 35 29 29 29 29 29 29 29 29 29 31 31 31 31 31 31 31 31 31 32 32 32 32 32 32 32 32 32 70 70 70 33 33 33 33 33 33 33 33 33 34 34 34 34 34 34 34 34 34 37 37 37 37 37 37 37 37 37 69 69 69 69 80 69 69 70 70 24 25 42 2 20 43 1 20 43 22 35 47 22 23 41 4 31 50 3 31 50 33 37 54 20 27 36 69 21 28 45 24 29 46 25 29 48 31 33 52 32 34 53 34 64 65 21 26 44 16 17 26 28 49 18 19 68 69 68 69 43 43 13 17 13 17 13 16 13 16 14 19 14 19 14 18 14 18 5 27 36 5 27 36 5 27 36 1 2 43 1 2 43 1 2 43 13 26 44 13 26 44 13 26 44 6 28 45 6 28 45 6 28 45 2 35 47 2 35 47 2 35 47 11 58 11 58 11 58 80 80 80 7 29 46 7 29 46 7 29 46 8 29 48 8 29 48 8 29 48 14 28 49 14 28 49 14 28 49 55 56 57 55 56 57 55 56 57 14 26 49 14 26 49 14 26 49 32 51 70 32 51 70 32 51 70 9 33 52 9 33 52 9 33 52 69 69 69 10 34 53 10 34 53 10 34 53 4 37 54 4 37 54 4 37 54 12 64 65 12 64 65 12 64 65 59 70 59 70 15 39 70 31 31 -136.1034 100.4836 -18.7209 -158.3899 84.7531 -40.2335 -97.3068 23.5943 143.4502 -41.2933 -165.2504 74.2851 -77.243 167.5485 46.9934 -69.9213 166.9658 46.8733 -65.8426 55.066 173.875 -57.1071 -178.8196 62.9796 -61.2511 51.7698 174.6356 131.2891 -71.1783 54.2749 171.4417 53.7022 179.6822 -63.2671 172.8403 51.546 -69.5697 -57.7321 64.3548 -177.3327 63.1305 -61.6314 -178.9676 -48.7624 -169.8626 73.5516 -94.4893 147.0302 28.6455 -0.2351 -173.9035 -72.6518 166.4696 48.8904 -6.5957 173.9817 -1.2132 179.974 -179.3264 1.8608 101.6233 -76.5639 171.0191 -15.0708 28.7631 -157.3267 -16.063 169.556 -150.5891 35.0298 14.6967 -165.8593 159.9775 -20.5785 143.2457 -36.2495 15.1505 -164.3448 -23.393 -144.5538 97.0666 95.1249 -26.0359 -144.4155 -148.7327 90.1066 -28.2731 -117.9285 124.616 6.5143 120.9006 3.4451 -114.6566 4.2756 -113.1799 128.7184 53.6983 172.3573 -71.0839 176.0041 -65.3369 51.2219 -65.3251 53.3338 169.8927 -85.8287 150.0062 30.9672 151.5089 27.3439 -91.6951 33.9145 -90.2505 150.7105 -80.4285 39.6552 163.0547 40.1665 160.2502 -76.3503 159.5642 -80.3521 43.0474 -179.8114 -0.3921 55.9845 -124.5962 -55.4978 123.9215 -163.9437 -46.5108 70.265 -77.6547 159.1307 41.5239 160.5578 37.3431 -80.2636 43.3 -79.9147 162.4786 147.958 -88.5018 28.8035 -87.7429 35.7972 153.1026 31.3362 154.8764 -87.8183 142.9538 -99.714 19.1693 -92.5592 24.7731 143.6564 24.3507 141.6829 -99.4338 177.6605 -63.964 56.8951 61.4933 179.8688 -59.2722 -61.5236 56.8519 177.7109 179.5336 57.8245 -60.6596 58.3777 -63.3314 178.1845 -58.4079 179.883 61.3989 70.1545 -170.1233 -54.5414 -53.0789 66.6433 -177.7749 -169.0375 -49.3153 66.2665 178.321 53.986 -64.9146 59.4072 -64.9278 176.1716 -58.0276 177.6375 58.7369 46.1978 -78.5784 162.4925 54.5849 -179.3753 -62.2509 178.6004 -55.3598 61.7647 -61.6764 64.3634 -178.5122 -177.0078 -57.591 62.2257 56.4602 175.877 -64.3063 -60.7135 58.7033 178.52 -47.4202 72.4472 -171.9448 -168.6587 -48.7913 66.8167 71.5194 -168.6133 -53.0052 -25.3782 -118.4463 155.8263 62.7582 -122.6548 -124.7438 -35.4101 72.5167 -52.679 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 1160 A 1120 A 1760 1160 5862.2921080473 80 1.00e+00 60 T IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 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 NBasis= 1120 RedAO= T EigKep= 1.64D-06 NBF= 1120 NBsUse= 1117 1.00D-06 EigRej= 7.00D-07 NBFU= 1117 Berny optimization. local minimum Step number 28 out of a maximum of 477 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00034 0.00288 0.00376 0.00514 0.00646 0.00671 0.00699 0.00752 0.00807 0.01002 0.01146 0.01172 0.01195 0.01311 0.01372 0.01462 0.01515 0.01520 0.01559 0.01565 0.01658 0.01686 0.01754 0.01765 0.01868 0.02029 0.02045 0.02101 0.02205 0.02266 0.02317 0.02428 0.02517 0.02565 0.02686 0.02758 0.02982 0.03027 0.03211 0.03299 0.03503 0.03611 0.03731 0.03825 0.03929 0.04090 0.04153 0.04308 0.04394 0.04508 0.04557 0.04613 0.04649 0.04710 0.04793 0.04816 0.04845 0.04902 0.04929 0.05038 0.05071 0.05127 0.05188 0.05330 0.05367 0.05449 0.05552 0.05634 0.05801 0.05838 0.05920 0.05962 0.06034 0.06112 0.06303 0.06348 0.06533 0.06609 0.06727 0.06785 0.06927 0.07018 0.07135 0.07243 0.07331 0.07392 0.07449 0.07609 0.07839 0.08039 0.08165 0.08355 0.08727 0.09023 0.09424 0.10286 0.10723 0.11191 0.11314 0.11823 0.11970 0.12056 0.12405 0.13259 0.14346 0.14520 0.14760 0.14979 0.15218 0.15528 0.15924 0.15969 0.15985 0.15991 0.15999 0.16001 0.16001 0.16002 0.16007 0.16013 0.16022 0.16033 0.16056 0.16103 0.16120 0.16213 0.16324 0.16411 0.16734 0.17146 0.17679 0.17954 0.18032 0.18222 0.18887 0.19177 0.19476 0.20073 0.20833 0.21249 0.21892 0.23017 0.23807 0.24498 0.25039 0.25194 0.25591 0.26022 0.26584 0.26653 0.26848 0.27579 0.27942 0.28236 0.28795 0.29082 0.29341 0.29515 0.30063 0.31310 0.31689 0.31850 0.32996 0.33197 0.33413 0.33558 0.33658 0.33719 0.33792 0.33867 0.33973 0.34014 0.34042 0.34059 0.34110 0.34159 0.34204 0.34243 0.34288 0.34365 0.34668 0.34799 0.34863 0.34932 0.35458 0.35964 0.36528 0.37661 0.38829 0.39365 0.40522 0.40849 0.41557 0.42914 0.43392 0.43475 0.43560 0.43638 0.43685 0.43882 0.44522 0.44816 0.45065 0.45128 0.45307 0.45664 0.45935 0.46263 0.46354 0.46370 0.46465 0.46752 0.46978 0.48762 0.50084 0.51322 0.51696 0.52410 0.53107 0.53417 0.53898 0.54511 0.54535 0.54713 0.59744 0.67904 0.73569 0.75775 0.77251 1.01400 1.19315 1.77191 5.59439 9.11548 -2.07921686e-04 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 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 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 2.72179 2.68954 2.65568 2.73771 2.67155 2.69675 2.67675 2.72955 2.67740 1.82549 2.71524 1.85083 2.71704 1.82725 2.70939 1.82512 2.70906 1.82716 2.68829 1.85390 2.29265 2.69064 1.88733 2.75247 2.45245 2.77002 2.43620 2.40605 1.92518 1.92713 2.59942 1.91331 1.91443 2.61473 1.91362 1.91435 2.58837 1.90784 1.91097 2.64159 1.91898 1.91492 2.97509 2.93600 2.05866 2.90358 2.91886 2.06442 2.92468 2.85972 2.05984 2.91876 2.06783 2.91212 2.06196 2.93368 2.06726 2.85071 2.06974 2.89896 2.06827 2.07479 2.87169 2.06525 2.89027 2.06736 2.05994 2.89433 2.06635 2.91575 2.07142 2.88420 2.07134 2.06535 2.06331 2.06239 2.08655 2.06804 2.07051 2.04689 2.04658 4.45504 4.40222 4.68239 1.99669 1.88427 2.01184 2.00942 1.90865 1.80913 1.87137 1.89115 1.89175 1.93759 1.94212 2.11276 2.08871 2.11987 2.11480 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0.1054294 0.0903747 0.0728289 C21H40N7O12(1+) 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 542.2643999999999 AuxInfo=1/0/N:35,31,37,36,27,32,34,30,29,24,33,26,28,25,21,20,23,40,38,22,18,19,16,17,14,13,12,11,9,10,7,8,6,5,2,4,3,1;39,15/E:(21,22)(23,24);/CRV:4.3,18.3,19.3,25.2,26.2,28.1;1.3/rA:80nOOOOOOOOOOO1ON2N2NNNNNCCCCCCCCCCCCCCCCC3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;;;;;;;;s3;s1;s5s20;s1s2s20;s13s21;s6s21;s7s24;s2s22;s8s25;s14s26s28;s3s4;s30;s9s31;s10s32;s4s33;s27;s11s22;s12s34;s13s16s17;s15;s14s18s19;s20;s21;s23;s24;s25;s26;s27;s28;s29;s30;s31;s32;s33;s34;s35;s35;s35;s36;s5;s6;s15;s7;s8;s37;s37;s9;s10;s39;s39;s31;s12;s16;s16;s17;s17;s18;s18;s19;s19;s15;/rC:-.6962,-1.9301,1.0254;-2.7461,-1.3955,1.8734;-1.6688,1.2907,.211;-.818,1.7132,-1.9468;-4.3065,.7393,.4842;1.3604,-.8887,3.137;3.5147,-2.4395,-1.3978;2.9975,-3.6939,1.5685;.0696,5.1538,.3225;2.1967,3.6004,-.8844;-3.7024,-1.4604,-2.169;1.0921,.2021,-3.3074;.5713,-1.8974,-1.5998;3.3348,-.0319,1.3074;-1.6312,1.881,3.5863;-.9373,-3.7099,-1.2858;-.9254,-2.4774,-3.263;4.7919,.8577,-.3497;3.6506,2.2508,1.1237;-2.0002,-.074,.0428;.6868,-1.553,.8847;-3.5529,-.335,-.0491;-1.5753,-.8513,1.3207;1.2967,-2.1916,-.3715;1.4489,-1.947,2.1689;2.7172,-1.6076,-.5368;-3.6774,-1.6309,.7874;2.9256,-2.3018,1.905;3.4822,-1.3974,.797;-1.7598,2.0993,-.9625;-1.563,3.5396,-.5226;-.123,3.7883,-.0691;.8283,3.3675,-1.1939;.5665,1.8949,-1.5746;-5.046,-1.9298,1.3458;-4.0341,-.5251,-1.4713;1.4279,1.4725,-2.7614;-.4081,-2.6548,-1.991;-2.029,2.8287,2.8337;3.9165,.9448,.6996;-1.4945,-.4924,-.8264;.746,-.4685,.7678;-1.1059,-.1953,2.0546;1.3833,-3.2704,-.2107;.9592,-2.8194,2.6048;2.596,-.6283,-1.0095;-3.3131,-2.4658,.1793;3.4823,-2.1185,2.8294;4.5341,-1.66,.6235;-2.734,1.9598,-1.438;-1.7839,4.1882,-1.3756;.1026,3.2013,.8255;.6111,3.9886,-2.0709;.7879,1.2546,-.713;-5.7521,-2.0817,.5254;-5.0113,-2.8428,1.9439;-5.4033,-1.1085,1.9693;-4.7229,.2565,-1.8381;-3.9588,.9579,1.3583;1.9518,-.1961,2.7755;-.6954,1.8805,3.9894;3.0331,-2.5317,-2.2312;3.9073,-3.9011,1.3194;1.3113,2.2029,-3.5681;2.4736,1.4964,-2.4345;-.125,5.7192,-.4373;2.4854,3.0562,-.1212;-1.3699,3.6657,2.6393;-3.0272,2.7887,2.4161;-2.2718,3.7773,.2692;.9959,-.485,-2.5915;-1.8004,-4.0928,-1.6517;-.9658,-3.5675,-.2832;-.6228,-1.6168,-3.7032;-1.9284,-2.6041,-3.3319;4.8343,-.0078,-.868;4.9229,1.6856,-.9155;4.4435,2.8813,1.0504;3.246,2.2735,2.0526;-2.2136,1.0615,3.7671; 0.1068804 0.0904115 0.0735965 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= 1127 1126 1127 1127 1127 MxSgAt= 80 MxSgA2= 80. 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 NBasis= 1120 RedAO= T EigKep= 1.58D-06 NBF= 1120 NBsUse= 1117 1.00D-06 EigRej= 6.77D-07 NBFU= 1117 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= 1127 1120 1122 1123 1127 MxSgAt= 80 MxSgA2= 80. 1 -4.47843434e+00 5.66000735e+00 5.65519413e+00 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 8 8 8 8 8 8 8 8 8 8 8 8 7 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.006129289 -0.010222955 -0.001943669 -0.002170804 -0.003290022 0.014510101 0.006946810 0.000624542 0.009196753 -0.005871491 -0.004003187 -0.010357437 -0.001733879 0.011570146 0.006246721 0.001458142 0.007530278 0.009147642 0.003633564 -0.008376361 -0.007552300 -0.004609827 -0.010636719 -0.001555452 0.005673659 0.009980367 0.003253947 0.010967335 -0.001664984 -0.001162107 -0.000870549 -0.008947863 -0.008430689 -0.005470720 -0.007187363 -0.006053482 0.002803171 0.005345126 -0.003750997 -0.002578059 0.001718523 0.007216913 0.002083943 -0.006998458 0.001868492 -0.003674499 -0.007643233 0.004490936 -0.004494617 0.002052758 -0.009263620 0.004373852 -0.003680775 -0.007101812 0.000579431 0.008731439 0.001568640 -0.000407038 -0.006177789 -0.004733722 0.008497311 0.002563331 -0.001549185 -0.002467292 -0.006565935 -0.006960826 0.007944331 0.010302526 0.000998862 0.000798034 -0.004741671 0.002079664 -0.006331371 -0.010149418 -0.003157719 -0.000923897 0.011078492 0.005281135 -0.011413971 -0.002318700 -0.003431846 0.005573754 0.008272602 0.005716638 0.003253960 -0.005371409 -0.002545915 -0.006863390 0.010969459 0.000237842 -0.002519713 0.005684743 0.001429585 -0.005514641 -0.011215413 0.002358032 -0.007984122 0.005173010 -0.004269382 0.007608709 -0.006330893 0.002139243 -0.003898092 -0.000174572 0.002654252 -0.000366392 0.007617661 0.004287243 0.009837991 0.009390985 0.000092168 0.002692884 0.001010278 0.000742806 -0.002540303 0.007037868 -0.002414138 0.001174743 0.000747467 0.000987793 0.000238947 0.000971655 0.001204800 -0.001730270 -0.001786595 0.001542222 -0.000566952 -0.000961443 -0.001133500 0.000895008 0.000860629 0.000199495 0.000571578 0.000974019 -0.001090155 0.001000492 -0.002174085 0.000292787 0.002067729 0.000923598 -0.000737409 -0.001371722 -0.000149341 -0.000312074 -0.001348397 -0.000069546 -0.000375043 0.000406277 -0.002119285 0.000793058 0.000791693 -0.000408206 -0.000921370 0.000143618 0.000182161 -0.000782828 0.000174626 -0.000390779 0.001052944 -0.002034888 0.001734729 -0.000858598 -0.000894935 0.000884591 -0.002058354 0.001007680 -0.002037644 0.000566097 0.002046483 0.001702540 0.000131907 -0.000224236 0.001244222 0.000354743 0.001471267 -0.000002228 0.000894101 0.002922837 0.002189088 -0.000786013 0.002602894 -0.000394479 0.000908430 -0.001224170 -0.000535845 -0.002466549 0.000965833 -0.002127226 -0.001148823 -0.001278831 0.000214622 0.000144145 -0.000128437 -0.000998508 0.000512761 0.000527903 0.002469773 -0.001404457 0.001093891 -0.001574888 0.001764816 0.001686789 0.001506135 -0.000652969 -0.002273697 -0.000146870 -0.001100716 0.000913048 -0.001282522 0.001064398 -0.003039207 -0.003247671 0.002530640 -0.002482089 0.000266239 -0.000787691 0.001530363 0.000627524 0.002772243 0.001843541 0.002444402 -0.000839418 -0.002786723 0.000271830 0.000819971 -0.000820783 -0.001918565 -0.000949206 0.000903448 0.002386214 -0.001091363 0.002313223 0.000755512 -0.000730658 -0.001093783 0.000224709 0.002334527 -0.001887714 -0.002212349 0.000071995 0.014510101 0.004365802 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -2110.90846049083 -2110.91052012860 -0.002059637771 -2110.91052768145 -0.000007552846 -2110.91055917969 -0.000031498235 -2110.91056007956 -0.000000899872 -2110.91056049709 -0.000000417536 -2110.91056052440 -0.000000027302 -2110.91056052863 -0.000000004237 -2110.91056052868 -0.000000000048 -2110.91056052787 0.000000000814 -2110.91056052803 -0.000000000162 -2110.91056053 11 2.102535871730e+03 -1.663505884086e+04 6.558939776785e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1412864154 LenY= 1411517394 Requested convergence on RMS density matrix=1.00D-08 within 128 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 /usr/local/gaussian/gaussian16/g16/l716.exe) -19.15048 -19.14920 -19.14568 -19.14543 -19.14216 -19.13701 -19.13298 -19.13095 -19.13051 -19.12104 -19.12102 -19.10835 -14.42681 -14.33071 -14.32748 -14.32372 -14.31795 -14.28295 -14.27796 -10.29241 -10.27949 -10.27948 -10.27926 -10.27660 -10.27580 -10.24856 -10.23690 -10.23626 -10.22328 -10.22199 -10.22191 -10.22045 -10.22029 -10.21971 -10.21950 -10.20887 -10.20076 -10.19567 -10.17054 -10.16098 -1.10853 -1.09437 -1.07969 -1.05844 -1.04690 -1.04582 -1.03812 -1.03583 -1.03425 -1.02469 -1.02267 -1.01832 -1.01095 -0.99548 -0.98886 -0.89040 -0.88401 -0.87889 -0.87629 -0.81042 -0.80387 -0.79316 -0.78560 -0.76548 -0.73433 -0.72528 -0.71923 -0.70797 -0.68592 -0.66549 -0.64880 -0.64246 -0.63430 -0.62812 -0.61688 -0.61383 -0.60600 -0.59729 -0.58873 -0.57877 -0.57385 -0.56141 -0.55931 -0.55713 -0.54856 -0.54312 -0.54154 -0.53904 -0.53375 -0.53150 -0.51778 -0.51739 -0.51096 -0.50714 -0.50327 -0.49462 -0.49262 -0.48618 -0.48499 -0.47587 -0.46892 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0.39078 0.39359 0.39492 0.39612 0.39804 0.39959 0.39997 0.40518 0.40635 0.41086 0.41466 0.41844 0.41890 0.42158 0.42225 0.42362 0.42731 0.42825 0.43016 0.43358 0.43884 0.44115 0.44415 0.44598 0.44980 0.45187 0.45701 0.46011 0.46141 0.46466 0.46989 0.47142 0.47427 0.47735 0.48049 0.48349 0.48533 0.48841 0.49060 0.49445 0.49631 0.50091 0.50311 0.51161 0.51372 0.51503 0.51646 0.51869 0.52527 0.52839 0.53248 0.53553 0.54235 0.54376 0.55248 0.55474 0.55873 0.56363 0.56882 0.57269 0.57724 0.57930 0.58221 0.58572 0.58926 0.59240 0.60094 0.60507 0.60800 0.61080 0.61558 0.61749 0.62080 0.62358 0.63123 0.63171 0.63850 0.63987 0.64332 0.64824 0.65013 0.65429 0.65750 0.66410 0.66674 0.67118 0.67432 0.67519 0.67887 0.68149 0.68660 0.69047 0.69211 0.69617 0.69709 0.69923 0.70127 0.70269 0.70627 0.70806 0.71100 0.71586 0.71902 0.71985 0.72443 0.72621 0.72674 0.73219 0.73547 0.73649 0.73884 0.74561 0.74892 0.75070 0.75339 0.75626 0.75996 0.76293 0.76935 0.77059 0.77594 0.77910 0.78027 0.78444 0.78950 0.79180 0.79253 0.79657 0.79917 0.80612 0.81076 0.81301 0.81901 0.81980 0.82546 0.82944 0.83376 0.84249 0.84554 0.84850 0.85393 0.85627 0.86276 0.86778 0.87145 0.87499 0.88169 0.88439 0.88595 0.89187 0.89858 0.90599 0.90912 0.90958 0.91974 0.92293 0.92742 0.93532 0.93854 0.93994 0.94246 0.94973 0.95222 0.96082 0.96812 0.97444 0.97538 0.98546 0.99264 0.99541 0.99768 1.00307 1.00791 1.01367 1.01521 1.02699 1.03166 1.03855 1.04693 1.05178 1.05623 1.06524 1.07338 1.07685 1.08041 1.08924 1.09355 1.10148 1.10985 1.11619 1.11847 1.12623 1.13071 1.13601 1.14279 1.14669 1.15005 1.15756 1.16173 1.16906 1.17101 1.17760 1.17956 1.18100 1.18951 1.19343 1.19560 1.20360 1.20648 1.21073 1.21445 1.21891 1.22438 1.22645 1.23344 1.23604 1.23939 1.24528 1.24792 1.25383 1.25776 1.26174 1.26543 1.26798 1.27297 1.27532 1.28285 1.28494 1.28983 1.29595 1.29819 1.30292 1.30651 1.31328 1.32045 1.32258 1.32738 1.33211 1.33591 1.34273 1.34606 1.35202 1.35384 1.35736 1.36251 1.36423 1.37372 1.37648 1.38136 1.39339 1.39565 1.40093 1.40442 1.40555 1.41253 1.41743 1.42235 1.42803 1.43290 1.43673 1.44088 1.44768 1.45237 1.46204 1.46610 1.47299 1.47778 1.48328 1.48757 1.49308 1.49793 1.50863 1.51067 1.51625 1.52083 1.52768 1.53308 1.53740 1.54453 1.54773 1.55303 1.56042 1.56571 1.57004 1.57317 1.58447 1.58598 1.58872 1.59140 1.59773 1.60036 1.60687 1.61062 1.61220 1.61309 1.61987 1.62346 1.62617 1.63048 1.63297 1.63849 1.64356 1.64473 1.65019 1.65204 1.66013 1.66227 1.66578 1.66875 1.67408 1.67597 1.67709 1.68134 1.68475 1.68914 1.69556 1.69698 1.70465 1.70707 1.71152 1.71724 1.71800 1.72198 1.72409 1.72844 1.73675 1.73947 1.74110 1.74382 1.74925 1.75760 1.76375 1.76584 1.76727 1.77069 1.77475 1.77896 1.78356 1.78888 1.79202 1.79276 1.80006 1.80228 1.80743 1.80923 1.81749 1.81957 1.82128 1.82687 1.82839 1.83520 1.83900 1.83985 1.84722 1.84915 1.85690 1.86349 1.86609 1.87043 1.87561 1.88150 1.88414 1.88758 1.89418 1.89757 1.90485 1.90672 1.91457 1.91617 1.92051 1.92573 1.92837 1.93177 1.94330 1.94442 1.94665 1.95054 1.95708 1.96124 1.96438 1.97361 1.97606 1.98162 1.98558 1.99174 1.99922 2.00527 2.01351 2.01738 2.02235 2.02878 2.03691 2.03955 2.04749 2.04943 2.05628 2.06541 2.07238 2.07865 2.08171 2.08992 2.09446 2.10092 2.10622 2.10730 2.11188 2.11559 2.12622 2.13052 2.13453 2.13887 2.15072 2.15318 2.15727 2.16171 2.16303 2.17528 2.18022 2.18303 2.18873 2.19424 2.19872 2.20490 2.21485 2.21571 2.22233 2.22968 2.23700 2.24367 2.25039 2.25770 2.26313 2.27215 2.28412 2.28733 2.29396 2.30219 2.30654 2.31341 2.32885 2.33000 2.33045 2.34255 2.34744 2.35435 2.36154 2.37664 2.37861 2.38325 2.38774 2.39833 2.41465 2.42252 2.42542 2.43441 2.43760 2.45128 2.45573 2.45998 2.46321 2.46667 2.48489 2.48871 2.50967 2.51841 2.51945 2.52169 2.53998 2.54583 2.54999 2.56086 2.56595 2.56638 2.57087 2.57871 2.58194 2.58426 2.58780 2.60579 2.60715 2.60823 2.61660 2.62096 2.62455 2.63380 2.63646 2.63951 2.65367 2.66147 2.67177 2.67532 2.67682 2.68888 2.69330 2.69895 2.70222 2.70548 2.72093 2.72380 2.72726 2.74224 2.74354 2.74923 2.75841 2.76146 2.76839 2.77747 2.78423 2.79074 2.79860 2.80392 2.80826 2.81521 2.81877 2.82917 2.83497 2.84150 2.84551 2.85019 2.85678 2.86012 2.86485 2.87025 2.87783 2.87965 2.88546 2.89484 2.90202 2.90923 2.91377 2.91866 2.93090 2.93392 2.94171 2.94507 2.95442 2.96472 2.96678 2.97221 2.97865 2.97902 2.98565 2.98848 2.99158 2.99758 3.00731 3.01164 3.01626 3.02211 3.02635 3.02823 3.03209 3.04178 3.04748 3.06034 3.06312 3.06410 3.07395 3.07912 3.08633 3.09098 3.09265 3.10265 3.11198 3.11350 3.11639 3.12028 3.12858 3.13298 3.13550 3.14088 3.14667 3.15004 3.15472 3.16197 3.16542 3.17606 3.17716 3.17795 3.19117 3.19238 3.20701 3.21363 3.21464 3.21956 3.22899 3.22954 3.23370 3.24073 3.25084 3.25467 3.27172 3.27363 3.27955 3.29283 3.30043 3.30782 3.31468 3.31710 3.32485 3.33554 3.33834 3.35021 3.35349 3.36583 3.37083 3.37667 3.38120 3.39235 3.39447 3.41488 3.42607 3.45335 3.45627 3.47904 3.48717 3.49013 3.50431 3.50772 3.52796 3.53208 3.53892 3.54832 3.58368 3.59441 3.61447 3.61829 3.62507 3.63302 3.69072 3.70550 3.73885 3.77919 3.79516 3.81778 3.82181 3.82737 3.83158 3.83927 3.85274 3.86674 3.87582 3.90795 3.91769 3.92539 3.93637 3.94624 3.96754 3.97173 3.98020 3.98362 3.99642 4.01435 4.01928 4.02545 4.03119 4.04232 4.05482 4.06549 4.07382 4.08793 4.09241 4.10931 4.12773 4.15212 4.17599 4.20050 4.20338 4.20994 4.21502 4.22093 4.24320 4.24842 4.25756 4.28320 4.29764 4.30228 4.30378 4.31937 4.34111 4.38517 4.43042 4.46033 4.56636 4.57460 4.68229 4.74294 4.76238 4.77536 4.79977 4.80851 4.81537 4.91650 5.09469 5.12764 5.13058 5.14435 5.14781 5.15660 5.17030 5.18054 5.18237 5.18982 5.19571 5.20443 5.21256 5.22727 5.27433 5.29275 5.34022 5.43102 5.44370 5.44576 5.45800 5.46612 5.47167 5.48540 5.49948 5.51389 5.51712 5.55338 5.64808 5.67408 5.67623 5.69526 5.70233 5.71281 5.73052 5.76547 5.79374 5.82953 5.86158 5.91095 23.79699 23.80488 23.81983 23.82789 23.84020 23.84525 23.85671 23.86994 23.87836 23.88498 23.89681 23.91878 23.92347 23.93048 23.94121 23.96253 23.96988 23.98628 23.99197 23.99903 24.02798 35.58006 35.59618 35.60383 35.70867 35.72783 35.75651 35.76581 49.96092 49.97337 49.98305 49.98371 49.98439 49.98990 49.99951 50.00330 50.01232 50.01636 50.04489 50.05941 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 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 O O O O O O O O O O O O N N N N N N N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H 0.000399 -0.005783 0.312926 0.021377 -0.232488 -0.231835 -0.262859 -0.317797 -0.312838 -0.332640 -0.268225 -0.468926 -0.290924 -0.154072 -0.143012 -0.450870 -0.439089 -0.443552 -0.536449 -0.896410 0.358415 0.505518 -1.105840 -0.315792 -0.159054 -0.610748 -0.274366 -0.524216 -0.374629 -0.001994 -0.332682 -0.025939 -0.687597 -0.010272 -0.487468 0.034947 -0.463902 0.293113 -0.110890 0.190749 0.306258 0.226736 0.265731 0.203184 0.201202 0.187000 0.219237 0.201721 0.223175 0.241462 0.207242 0.213733 0.216345 0.211855 0.181756 0.174626 0.175621 0.191714 0.329949 0.298513 0.370386 0.314422 0.292183 0.174233 0.179010 0.297084 0.411363 0.256334 0.260951 0.190359 0.469374 0.312263 0.316411 0.302404 0.293609 0.322071 0.315130 0.326552 0.286857 0.387657 1.00000 -3.78156999e+00 6.10602896e+00 5.79335720e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -11.3830 14.3863 14.3741 23.3056 -170.5971 -198.4222 -223.3329 -9.8804 -23.9134 40.5134 26.8536 -0.9715 -25.8822 -9.8804 -23.9134 40.5134 -18.6434 61.4638 187.1200 -150.1928 122.0813 107.6485 -120.7079 174.4079 45.8041 -56.8250 -8827.0052 -7415.4760 -4454.2713 49.6170 -229.6324 -160.9586 281.5260 -319.0618 489.3114 -2446.0338 -2142.8676 -1682.1212 161.2267 -29.0128 -205.3988 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)