28-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 59 59 133 133 914 (5D, 7F) 6-311+G(d,p) 171 171 C1[X(C17H24N5O13)] C1[X(C17H24N5O13)] 482.2075999999998 -1 1 AuxInfo=1/0/N:19,23,25,33,34,30,20,31,28,29,21,32,27,22,35,26,17,18,15,16,14,11,2,9,8,3,10,7,1,13,6,12;24,4,5/E:;(2,3)/CRV:1.3,2.3,3.3,6.3,12.3,13.3,15.3,16.3,27.1,28.1,29.1,30.1,31.1;1.2,2.1,3.1/rA:59nO1OOO1O1O1O1OOO1OOO1NNNNNC3CCCC3C2C3C3C3CCC3CC3CCC3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;;;;;;;;s2s19;s3s20;s1s14s21;s15s19;s4s5;s14;s6s14s16;s7s15;s17s27;s8s28;s25;s9s29;s10s16s30;s11s30;s12s31;s12s13s18;s19;s20;s21;s22;s23;s15;s2;s3;s25;s28;s29;s16;s31;s17;s17;s33;s33;s34;s34;s8;s9;s11;s18;s18;/rC:-2.2973,2.5415,.3329;-4.3784,2.0639,1.8038;-5.2403,1.5123,-.7159;3.1976,1.6792,-1.7574;4.665,.0305,-2.4405;-.9111,3.0436,-2.2963;-.6631,-3.2658,1.3004;2.4786,-2.4244,.1577;4.1542,-.4888,.4809;1.5188,-.6614,-3.1429;.3112,-3.1473,-1.251;2.2827,1.5214,1.443;.4258,1.1777,2.6727;-1.7285,1.0708,-1.4537;-.9803,-1.1982,2.1684;.2517,1.1535,-2.6744;1.9074,-3.314,2.6496;.3686,2.4285,.7771;-2.7926,.2719,1.8381;-4.0765,.7993,1.2625;-4.0253,.9502,-.2756;-2.8235,1.8776,-.6811;-2.2759,-.9462,1.7022;3.913,.8303,-2.0804;-1.5703,-.2698,-1.4457;-.8181,1.849,-2.1444;-.228,-2.2612,1.8646;1.2481,-2.0979,2.2456;2.0253,-1.4534,1.0641;-.5564,-.9614,-2.023;3.2845,-.7142,1.5578;.5034,-.2054,-2.6479;-.5615,-2.4575,-2.1204;3.017,.6152,2.2466;.9657,1.6773,1.6923;-2.1993,1.005,2.3703;-4.9104,.1296,1.5062;-3.9953,-.0376,-.7425;-3.2176,2.5118,-1.4949;-2.7639,-1.7751,1.2053;-.4975,-.3775,2.5389;-3.6081,2.5909,1.4732;-5.4399,2.2132,-.083;-2.3489,-.8268,-.9502;1.2905,-1.3967,3.0855;1.3682,-.7399,.5485;.9455,1.7333,-3.1232;3.7645,-1.3553,2.3165;1.3555,-3.7986,3.3435;1.998,-3.9292,1.8528;-.2725,-2.7392,-3.1345;-1.589,-2.8118,-1.9768;2.5244,.4533,3.2058;3.9794,1.0907,2.4474;1.7962,-2.5903,-.5249;4.0801,-1.2786,-.0716;-.134,-3.298,-.3968;.9121,2.759,-.0016;-.6752,2.5031,.7012; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-6516466/Gau-3852374.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-6516466/" chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 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=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 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=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 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 polyoxin CONF125 gas 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 16 16 16 16 16 16 16 16 16 16 16 16 16 14 14 14 14 14 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 15.9949146 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 2 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 -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 1 2 2 3 3 4 4 5 5 6 7 8 8 9 9 10 11 11 12 12 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 21 21 22 23 25 25 27 28 28 29 29 30 30 31 31 33 33 34 34 22 20 42 21 43 24 47 24 56 26 27 29 55 31 56 32 33 57 34 35 35 22 25 26 23 27 41 26 32 47 28 49 50 35 58 59 20 23 36 21 37 22 38 39 40 30 44 28 29 45 31 46 32 33 34 48 51 52 53 54 1.3213 1.4083 0.9902 1.4093 0.9652 1.1562 2.6345 1.1553 2.7691 1.2079 1.2316 1.4035 0.9793 1.4025 0.9667 1.2181 1.4119 0.9749 1.4164 1.3494 1.2257 1.5643 1.3499 1.3826 1.3998 1.3373 1.0217 1.3816 1.3823 1.0094 1.4412 1.0104 1.0107 1.326 1.0055 1.0492 1.5026 1.3301 1.0829 1.5463 1.0969 1.5712 1.0929 1.1044 1.0827 1.3563 1.078 1.5331 1.5542 1.0949 1.5414 1.0984 1.444 1.4993 1.521 1.1032 1.0915 1.0963 1.0903 1.092 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 20 21 24 24 29 31 33 34 22 22 25 23 23 27 26 26 32 28 28 49 35 35 58 20 20 23 2 2 2 19 19 21 3 3 3 20 20 22 1 1 1 14 14 21 15 15 19 14 14 30 6 6 14 7 7 15 17 17 17 27 27 29 8 8 8 28 28 31 25 25 32 9 9 9 29 29 34 10 10 16 11 11 11 30 30 51 12 12 12 31 31 53 12 12 13 4 5 2 3 4 5 8 9 11 12 14 14 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 25 25 25 26 26 26 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 30 30 30 31 31 31 31 31 31 32 32 32 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 47 56 42 43 47 56 55 56 57 35 25 26 26 27 41 41 32 47 47 49 50 50 58 59 59 23 36 36 19 21 37 21 37 37 20 22 38 22 38 38 14 21 39 21 39 39 19 40 40 30 44 44 14 16 16 15 28 28 27 29 45 29 45 45 28 31 46 31 46 46 32 33 33 29 34 48 34 48 48 16 30 30 30 51 52 51 52 52 31 53 54 53 54 54 13 18 18 16 9 100.5322 105.2513 113.5265 85.5924 110.0166 105.0671 109.4399 118.3687 126.2523 114.6697 118.9961 126.0241 114.4255 117.0693 128.9419 114.4312 116.6142 110.3275 109.4891 107.3616 118.5122 122.5644 117.2754 127.8962 114.7546 117.2166 110.5541 107.5703 107.446 112.7663 110.4931 107.8054 108.7277 110.0813 104.5202 109.8543 109.7312 113.7178 111.0604 113.774 114.7772 111.0036 100.4894 104.8438 119.3679 115.6093 124.9531 126.2604 115.5401 118.1784 124.6666 120.6155 114.718 123.6217 122.7445 113.6071 114.8486 109.5279 107.9132 109.6803 107.226 107.3514 111.4412 105.9503 109.8416 111.3413 109.0868 109.1224 117.7721 122.2677 119.7882 109.7396 108.439 110.5917 114.8681 107.2803 105.8442 120.798 126.276 112.9073 116.4503 106.3988 109.9174 108.484 108.4968 106.6506 113.1678 111.0926 106.4165 110.3664 107.9916 107.5229 122.0383 112.1774 125.779 110.1974 94.962 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A98 A99 4 4 24 24 5 5 56 56 -1 -2 183.1019 estimate D2E/DX2|estimate D2E/DX2 181.8428 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 42 42 42 43 43 43 47 24 24 55 55 55 56 56 56 31 57 57 57 35 35 35 34 34 25 25 25 26 26 26 22 22 26 26 22 22 25 25 27 27 41 41 23 23 41 41 32 32 47 47 26 26 47 47 26 32 49 49 49 50 50 50 58 58 59 59 23 23 23 36 36 36 20 20 36 36 2 2 2 19 19 19 37 37 37 3 3 3 20 20 20 38 38 38 14 14 44 44 7 7 7 15 15 15 17 17 17 27 27 27 45 45 45 8 8 8 28 28 28 46 46 46 25 25 33 33 25 25 25 32 32 32 9 9 9 29 29 29 48 48 48 2 2 2 3 3 3 4 4 5 8 8 8 9 9 9 9 11 11 11 12 12 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 25 25 25 25 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 30 30 30 30 30 30 30 30 30 30 31 31 31 31 31 31 31 31 31 20 20 20 21 21 21 5 47 56 29 29 29 31 31 31 56 33 33 33 34 34 34 35 35 22 22 22 22 22 22 25 25 25 25 26 26 26 26 23 23 23 23 27 27 27 27 26 26 26 26 32 32 32 32 47 47 28 28 28 28 28 28 35 35 35 35 20 20 20 20 20 20 23 23 23 23 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 30 30 30 30 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 31 31 31 31 31 31 31 31 31 32 32 32 32 33 33 33 33 33 33 34 34 34 34 34 34 34 34 34 19 21 37 20 22 38 56 16 9 28 31 46 29 34 48 5 30 51 52 31 53 54 13 18 1 21 39 1 21 39 30 44 30 44 6 16 6 16 19 40 19 40 7 28 7 28 6 14 6 14 10 30 10 30 4 4 27 29 45 27 29 45 12 13 12 13 2 21 37 2 21 37 15 40 15 40 3 22 38 3 22 38 3 22 38 1 14 39 1 14 39 1 14 39 32 33 32 33 17 29 45 17 29 45 8 31 46 8 31 46 8 31 46 9 34 48 9 34 48 9 34 48 10 16 10 16 11 51 52 11 51 52 12 53 54 12 53 54 12 53 54 63.2614 -60.2593 -176.0907 42.5897 -77.7927 159.7222 -108.6916 89.3313 -46.2318 89.0851 -149.6577 -31.9256 -37.0572 -163.257 81.1036 151.0027 86.6459 -152.3209 -37.2131 102.0871 -22.7187 -139.4668 8.1543 -172.6396 108.2162 -19.4148 -129.9122 -68.4373 163.9317 53.4343 -174.0746 7.6384 2.4484 -175.8387 -8.4088 171.5739 174.6763 -5.3409 -165.1581 11.9564 -3.6747 173.4399 -12.1456 166.0195 -173.1966 4.9685 -177.4124 2.6041 3.9464 -176.0371 -178.4014 3.0783 0.2149 -178.3054 112.7576 -66.0603 -49.5275 -173.4469 69.989 68.4202 -55.4992 -172.0633 2.7728 -178.0567 167.7316 -13.0979 170.7164 -68.8195 51.9027 -13.626 106.8381 -132.4397 171.6252 -5.1999 -3.9402 179.2347 -54.8491 65.6736 -168.6053 -177.0084 -56.4857 69.2353 60.7452 -178.7321 -53.011 106.5129 -127.348 -19.6803 -13.1876 112.9515 -139.3808 -136.6028 -10.4637 97.204 3.6534 -171.5659 -178.0999 6.6808 -34.9596 88.879 -154.8575 146.857 -89.3044 26.9591 39.9296 -78.1315 161.3803 -86.9676 154.9713 34.4831 156.8482 38.787 -81.7012 41.5058 163.9655 -78.6899 162.8273 -74.713 42.6316 -76.7054 45.7542 163.0989 175.625 -5.9516 -9.0326 169.3908 -106.2053 133.8748 18.3813 78.669 -41.2509 -156.7444 66.9529 -167.8488 -50.5755 -56.205 68.9933 -173.7334 -174.3614 -49.1631 68.1102 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 949 A 914 A 1452 949 4483.6776512816 59 1.00e+00 60 F 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= 914 RedAO= T EigKep= 1.29D-06 NBF= 914 NBsUse= 913 1.00D-06 EigRej= 3.83D-07 NBFU= 913 Berny optimization. local minimum Step number 28 out of a maximum of 310 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00200 0.00277 0.00510 0.00597 0.00790 0.00849 0.00933 0.01047 0.01133 0.01145 0.01286 0.01342 0.01433 0.01499 0.01562 0.01594 0.01620 0.01657 0.01689 0.01762 0.01830 0.01874 0.01940 0.02008 0.02136 0.02156 0.02354 0.02514 0.02517 0.02662 0.02737 0.02971 0.03174 0.03323 0.03718 0.03799 0.04203 0.04351 0.04357 0.04586 0.04682 0.04763 0.05007 0.05262 0.05461 0.05518 0.05718 0.05811 0.06013 0.06213 0.06386 0.06444 0.06754 0.06904 0.07290 0.07530 0.07760 0.08153 0.08305 0.08570 0.09115 0.09367 0.10673 0.10896 0.11619 0.11788 0.12117 0.12935 0.13384 0.14384 0.14779 0.15455 0.15687 0.15756 0.15955 0.15995 0.16004 0.16019 0.16036 0.16149 0.16236 0.16762 0.16896 0.17086 0.17827 0.17988 0.18165 0.18307 0.18848 0.19265 0.20033 0.21020 0.21445 0.22503 0.22819 0.23423 0.23698 0.23869 0.24211 0.24396 0.24777 0.24926 0.25002 0.25043 0.25101 0.25357 0.25812 0.27255 0.27601 0.28433 0.29110 0.30040 0.31031 0.31854 0.32997 0.33241 0.33597 0.33927 0.34009 0.34129 0.34318 0.34511 0.34579 0.34617 0.34777 0.35570 0.35669 0.36071 0.36367 0.37328 0.39598 0.40541 0.41591 0.42790 0.43598 0.43933 0.44116 0.44585 0.44709 0.45140 0.45713 0.45804 0.45885 0.46007 0.46550 0.46746 0.48727 0.49661 0.51338 0.51928 0.52363 0.52540 0.53898 0.54329 0.54519 0.56270 0.57878 0.59864 0.61281 0.63088 0.80645 0.90451 0.95237 0.97343 1.00814 1.26458 1.30406 1.75964 2.23008 2.56262 5.02856 -1.16068165e-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 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 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 2.48074 2.71339 1.86040 2.69903 1.83035 2.19717 4.30720 2.19181 4.84912 2.30385 2.34015 2.68639 1.85492 2.68846 1.83183 2.32211 2.71334 1.84585 2.72195 2.58435 2.32749 3.15533 2.56943 2.62323 2.66188 2.54722 1.93463 2.63464 2.63519 1.91314 2.75054 1.91650 1.91991 2.52309 1.90619 1.97222 2.83756 2.51953 2.04675 2.94345 2.06743 2.96037 2.06056 2.08007 2.04674 2.57865 2.03873 2.91318 2.95159 2.06611 2.91805 2.06932 2.73566 2.84122 2.87992 2.07912 2.06361 2.07110 2.05921 2.06190 1.78168 1.83827 2.07804 1.54201 1.92089 1.83937 1.91899 2.05821 2.20730 1.99800 2.07786 2.19825 2.00558 2.03653 2.23879 2.01356 2.03005 1.92317 1.89297 1.87547 2.05574 2.10254 2.02373 2.25499 1.97552 2.04715 1.91358 1.87352 1.85878 1.97660 1.95315 1.88282 1.89480 1.90751 1.82081 1.94195 1.92580 1.96786 1.94434 1.99707 2.01947 1.89134 1.71250 1.87529 2.06858 2.00914 2.20378 2.20007 2.01391 2.06913 2.17397 2.10372 2.00535 2.15895 2.14657 1.97710 2.00298 1.91056 1.90067 1.90419 1.86625 1.87473 1.93759 1.84739 1.91606 1.95494 1.91161 1.89487 2.06001 2.13995 2.08010 1.91599 1.88420 1.91523 2.00686 1.87498 1.86498 2.10525 2.20152 1.97639 2.00984 1.83708 1.91162 1.90024 1.91156 1.88899 1.97235 1.91330 1.84127 1.93571 1.88398 1.91418 2.13313 1.95377 2.19629 2.35213 1.84399 3.18508 3.19686 1.09462 -1.05922 -3.07222 0.70743 -1.41363 2.76096 -1.38859 0.85076 -0.78379 1.54215 -2.61589 -0.57399 -0.59683 -2.79668 1.46002 2.81255 1.46768 -2.72276 -0.69546 1.87459 -0.29424 -2.35408 -0.09246 3.04811 2.00621 -0.20567 -2.15167 -1.14241 2.92890 0.98290 -3.10236 0.05304 0.04655 -3.08123 -0.09819 3.02553 3.03693 -0.12253 -2.81374 0.26947 0.00541 3.08862 -0.20353 2.90267 -3.01764 0.08857 -3.02950 0.12918 0.06754 -3.05696 3.08848 -0.04495 -0.00821 3.14154 2.34284 -0.83776 -0.77690 -2.92443 1.31387 1.27155 -0.87597 -2.92086 0.10385 -3.03880 2.75864 -0.38401 2.72699 -1.46428 0.66855 -0.53203 1.55988 -2.59047 3.00322 -0.07280 -0.01689 -3.09291 -0.87470 1.22512 -2.86012 -2.98935 -0.88954 1.30841 1.12227 -3.06110 -0.86315 1.71378 -2.38837 -0.55423 -0.37851 1.80252 -2.64652 -2.55297 -0.37194 1.46221 0.04257 -3.01336 -3.11322 0.11403 -0.58647 1.56447 -2.69626 2.59022 -1.54202 0.48044 0.70281 -1.35823 2.82156 -1.50221 2.71994 0.61654 2.76395 0.70292 -1.40048 0.75055 2.87877 -1.33117 2.86451 -1.29045 0.78280 -1.30557 0.82265 2.89590 3.10734 -0.04295 -0.11690 3.01600 -1.92114 2.30445 0.24204 1.30706 -0.75054 -2.81295 1.15035 -2.97631 -0.87897 -0.99498 1.16155 -3.02430 -3.07380 -0.91727 1.18007 -0.00091 -0.00050 -0.00053 -0.00019 -0.00001 0.00068 0.00043 0.00061 -0.00032 0.00029 0.00011 -0.00024 -0.00009 -0.00095 -0.00022 0.00094 -0.00041 -0.00004 -0.00127 -0.00181 0.00148 0.00047 0.00013 0.00116 0.00001 0.00007 0.00012 0.00064 -0.00057 0.00023 -0.00030 0.00009 0.00002 -0.00008 -0.00003 0.00077 0.00004 0.00021 0.00011 -0.00021 0.00001 -0.00044 0.00003 0.00042 0.00006 0.00044 0.00008 0.00042 0.00054 0.00023 0.00046 0.00020 0.00041 -0.00006 -0.00023 0.00030 0.00007 0.00022 0.00017 0.00014 0.00009 0.00010 -0.00074 0.00159 0.00047 0.00106 -0.00006 0.00284 -0.00030 0.00062 -0.00033 -0.00140 0.00061 0.00076 0.00026 0.00077 -0.00104 0.00002 0.00020 -0.00008 -0.00013 0.00089 -0.00054 -0.00100 0.00067 0.00033 0.00032 -0.00012 -0.00003 -0.00044 0.00007 0.00021 0.00046 0.00035 -0.00015 -0.00127 0.00028 0.00043 0.00101 -0.00123 0.00027 0.00013 -0.00007 0.00008 0.00136 -0.00046 -0.00090 0.00026 0.00001 -0.00027 0.00010 0.00004 -0.00013 -0.00098 -0.00109 0.00207 -0.00080 -0.00033 0.00011 0.00098 0.00025 -0.00016 0.00003 -0.00035 0.00002 -0.00019 -0.00001 0.00050 -0.00009 0.00053 -0.00044 -0.00029 -0.00148 0.00089 0.00210 -0.00085 -0.00034 -0.00015 0.00005 0.00009 -0.00002 0.00004 0.00005 -0.00015 0.00015 -0.00010 -0.00021 0.00065 -0.00040 0.00022 -0.00014 -0.00017 0.00080 -0.00140 0.00059 -0.00003 -0.00226 0.00136 -0.00213 -0.00011 0.00030 0.00013 -0.00056 0.00049 -0.00011 -0.00001 0.00098 -0.00099 0.00004 -0.00039 0.00001 0.00059 -0.00084 -0.00009 -0.00235 0.00010 -0.00006 -0.00013 0.00025 -0.00038 -0.00028 0.00030 -0.00031 -0.00036 0.00042 0.00032 -0.00066 0.00011 0.00002 -0.00067 -0.00050 -0.00035 -0.00019 0.00017 0.00092 -0.00011 0.00064 0.00009 0.00010 0.00017 0.00019 0.00024 0.00024 0.00019 0.00019 0.00023 -0.00049 -0.00003 -0.00075 0.00006 0.00004 0.00028 0.00026 0.00190 0.00170 0.00021 -0.00024 0.00008 0.00024 -0.00021 0.00011 0.00016 -0.00047 0.00051 -0.00013 0.00027 0.00006 0.00006 0.00022 0.00001 0.00001 -0.00001 -0.00005 0.00002 -0.00002 0.00012 0.00007 -0.00010 0.00007 0.00002 -0.00016 0.00012 0.00007 -0.00010 -0.00047 0.00007 0.00007 -0.00047 0.00006 0.00007 -0.00018 0.00036 0.00036 -0.00013 -0.00003 -0.00030 -0.00020 0.00013 -0.00012 0.00032 0.00012 -0.00013 0.00031 0.00004 0.00059 0.00008 0.00060 0.00115 0.00064 -0.00011 0.00044 -0.00007 0.00047 -0.00020 0.00006 0.00017 -0.00049 -0.00024 0.00039 -0.00028 -0.00002 0.00024 0.00026 0.00019 0.00021 -0.00009 -0.00002 0.00009 -0.00000 0.00006 0.00018 -0.00108 -0.00021 -0.00038 -0.00102 -0.00015 -0.00032 -0.00098 -0.00011 -0.00028 -0.00044 0.00017 -0.00022 0.00000 -0.00002 0.00013 -0.00826 -0.00010 -0.00497 -0.00002 -0.00006 0.00006 -0.00000 0.00002 -0.00010 0.00009 0.00003 -0.00005 0.00014 -0.00032 -0.00009 0.00099 -0.00017 0.00000 -0.00017 -0.00004 0.00001 -0.00000 -0.00020 0.00006 -0.00006 0.00002 -0.00002 0.00028 -0.00001 -0.00035 -0.00010 -0.00001 -0.00001 0.00007 -0.00002 -0.00028 0.00003 0.00009 0.00001 0.00004 0.00001 -0.00003 -0.00008 0.00005 -0.00040 0.00007 0.00004 -0.00015 -0.00013 0.00005 -0.00000 0.00003 0.00001 -0.00001 0.00036 0.00004 0.00003 0.00094 0.00026 -0.00017 -0.00004 -0.00005 -0.00011 0.00013 -0.00000 0.00013 0.00003 0.00010 -0.00010 0.00056 -0.00049 -0.00004 0.00015 -0.00005 0.00000 -0.00102 -0.00040 -0.00015 0.00021 -0.00011 -0.00006 -0.00002 0.00007 0.00012 -0.00012 0.00002 -0.00001 -0.00014 -0.00013 0.00022 -0.00006 0.00009 0.00003 0.00008 0.00040 -0.00032 -0.00029 0.00001 -0.00003 0.00004 -0.00006 0.00008 0.00009 -0.00017 -0.00006 0.00007 -0.00003 0.00023 0.00004 -0.00025 0.00030 0.00032 -0.00018 -0.00038 -0.00018 0.00010 0.00006 0.00005 0.00000 0.00039 -0.00026 -0.00024 -0.00015 0.00018 -0.00003 0.00002 -0.00024 0.00001 0.00009 0.00006 0.00005 -0.00008 -0.00005 0.00015 -0.00016 -0.00001 0.00006 0.00008 0.00010 -0.00007 -0.00032 -0.00017 0.00014 0.00030 0.00015 -0.00010 -0.00002 0.00021 -0.00019 0.01090 0.00331 -0.00036 0.00180 -0.00051 -0.00060 -0.00065 -0.00042 -0.00060 -0.00056 0.01510 -0.01978 -0.00331 -0.00103 -0.00049 -0.00074 0.00053 0.00056 0.00062 0.00566 -0.00268 -0.00269 -0.00275 0.00030 0.00027 0.00040 -0.00130 -0.00093 0.00220 0.00231 0.00251 0.00356 0.00368 0.00387 0.00146 0.00145 0.00003 0.00003 -0.00072 -0.00167 0.00053 -0.00042 -0.00060 -0.00147 0.00036 -0.00051 -0.00077 -0.00012 -0.00174 -0.00109 0.00066 0.00157 -0.00011 0.00080 -0.00078 -0.00206 -0.00002 -0.00130 0.01063 0.00996 -0.00063 -0.00060 -0.00080 -0.00063 -0.00060 -0.00080 0.00089 0.00128 -0.00244 -0.00206 0.00116 0.00117 0.00119 0.00064 0.00064 0.00067 -0.00104 -0.00007 -0.00052 0.00046 0.00022 0.00018 0.00041 0.00024 0.00020 0.00043 0.00029 0.00026 0.00049 0.00054 0.00038 -0.00007 0.00051 0.00035 -0.00011 0.00034 0.00019 -0.00027 -0.00059 -0.00054 -0.00059 -0.00053 0.00063 0.00096 0.00080 -0.00002 0.00032 0.00015 0.00080 0.00045 0.00067 0.00047 0.00012 0.00033 0.00081 0.00046 0.00068 0.00088 0.00066 0.00082 0.00121 0.00098 0.00115 0.00098 0.00075 0.00091 0.00007 0.00144 0.00003 0.00140 -0.00073 -0.00067 -0.00069 -0.00067 -0.00060 -0.00063 -0.00139 -0.00162 -0.00147 -0.00130 -0.00153 -0.00139 -0.00146 -0.00170 -0.00155 -0.00019 -0.00057 -0.00064 -0.00036 -0.00003 0.00017 0.00779 -0.00029 -0.00232 -0.00029 -0.00008 -0.00032 0.00007 -0.00033 -0.00005 0.00040 -0.00050 -0.00013 -0.00102 -0.00212 0.00037 -0.00489 -0.00046 0.00101 -0.00065 -0.00028 0.00016 -0.00045 -0.00105 0.00004 -0.00053 0.00007 -0.00008 0.00040 -0.00019 -0.00008 0.00005 0.00029 -0.00002 0.00017 0.00007 0.00063 0.00022 0.00088 0.00011 0.00040 0.00006 0.00017 0.00005 0.00038 -0.00118 0.00055 0.00079 -0.00019 -0.00039 0.00051 -0.00005 0.00030 0.00018 0.00010 -0.00018 0.00039 -0.00361 0.00468 0.00106 0.00068 0.00096 0.00091 -0.00005 -0.00014 0.00021 -0.00030 0.00004 0.00115 0.00085 0.00113 -0.00194 -0.00001 0.00123 -0.00054 0.00167 0.00000 0.00195 -0.00195 0.00210 -0.00024 0.00106 -0.00067 -0.00008 0.00027 -0.00089 0.00030 -0.00038 0.00049 0.00054 -0.00073 -0.00097 0.00111 0.00020 -0.00057 0.00006 0.00212 0.00086 -0.00235 0.00130 0.00019 -0.00152 0.00039 0.00038 -0.00081 0.00006 0.00039 -0.00039 -0.00002 -0.00099 0.00081 0.00011 0.00029 -0.00098 -0.00015 0.00016 0.00061 0.00014 -0.00071 0.00034 0.00108 -0.00095 0.00012 -0.00082 0.00149 -0.00093 -0.00027 -0.00029 0.00105 0.00075 -0.00010 -0.00109 -0.00039 0.00001 0.00033 0.00178 -0.00044 0.00012 -0.00167 0.00100 -0.00106 -0.00045 0.00009 0.00095 0.00078 0.00025 -0.00169 0.00020 0.00051 -0.00072 -0.00144 -0.00416 0.00400 -0.01132 0.00184 0.00130 0.00131 -0.00235 -0.00152 -0.00338 0.00398 -0.00125 0.01001 -0.00536 -0.00441 -0.00448 -0.00518 -0.00574 -0.00485 0.00357 -0.00431 -0.00566 -0.00707 -0.01089 -0.01165 -0.01024 0.01512 0.00768 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-3.07904 -0.92236 1.17367 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.002836 0.000601 0.037763 0.008103 0.000450 0.000300 0.001800 0.001200 NO NO NO NO -5.827936e-05 Grimme-D3 -0.0968964900 C17H24N5O13(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 0 482.2075999999998 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0.1591667 0.1050846 0.0918773 C17H24N5O13(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 0 482.2075999999998 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0.1611875 0.1029434 0.0906501 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= 919 919 919 919 919 MxSgAt= 59 MxSgA2= 59. 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= 914 RedAO= T EigKep= 1.15D-06 NBF= 914 NBsUse= 913 1.00D-06 EigRej= 3.61D-07 NBFU= 913 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= 924 916 920 920 924 MxSgAt= 59 MxSgA2= 59. 1 -1.20196927e+00 -9.39472907e-01 6.02841898e-01 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 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 7 7 7 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 0.005118011 0.006152366 0.007490192 -0.004569898 0.008813036 0.005340115 -0.009198795 0.002837706 -0.004904460 -0.009019611 0.008035175 0.003083655 0.006800554 -0.009098579 -0.002379299 -0.001271858 0.015935575 -0.001200350 -0.003803934 -0.011096861 -0.007160150 0.003425327 -0.007068006 -0.006580743 0.007628197 0.003321532 -0.006989182 0.014323177 -0.005289318 -0.006482117 0.007357900 -0.004558009 0.005405329 0.008062787 0.004065740 -0.008010357 -0.007099654 -0.007067843 0.009790533 -0.000277462 -0.000226308 0.000967033 -0.000482084 0.005728179 0.003162406 0.005364541 0.004036285 -0.002926745 0.004614734 -0.004776352 0.003490618 -0.005781238 0.005017435 -0.006321449 0.000250341 0.001900108 0.003635980 0.000249496 -0.012631272 0.000191718 0.005154636 -0.007889104 -0.000198306 -0.007673623 -0.000150658 -0.007822607 -0.005387800 -0.003032989 -0.002033488 0.000687559 0.000358662 -0.000767577 -0.005746667 -0.008557934 0.003081734 0.000805365 -0.002550397 -0.000317815 0.004897286 0.002871717 0.004015960 -0.000718616 0.005376419 0.003497836 -0.004464949 0.007763186 0.003853480 0.002339034 -0.001640837 0.001056939 -0.003466223 -0.001016782 0.009771193 -0.007569161 -0.002741841 0.003172165 -0.009099581 0.001989886 -0.009280112 0.007040762 -0.003853105 0.008566979 -0.003215791 0.003579220 -0.000714120 -0.000062683 0.001817712 -0.001198001 -0.000348844 0.001051158 -0.000691236 0.000492293 0.001164019 0.000115023 0.000755424 0.000753914 0.000925979 0.001111351 -0.000940244 -0.000338865 0.001247880 0.001381196 0.000910235 0.000908952 0.003502615 0.000786183 -0.001682519 0.002638345 0.001713100 -0.000069088 0.000381809 0.000464328 -0.000929946 0.000702207 -0.001005531 0.001433196 -0.000038978 0.000299704 0.002089618 0.001008464 -0.000075147 0.000312337 -0.000657010 -0.001529421 -0.001627942 -0.001780179 0.002457578 0.000868963 -0.001985931 -0.003513499 0.001958907 0.000153036 -0.000868935 -0.000523377 -0.000947463 0.001162826 -0.002582468 0.000875856 -0.000705058 0.000524684 0.000184545 -0.001828289 -0.000602099 -0.001153065 -0.001348873 0.000519889 -0.001518410 -0.003077076 -0.000921634 -0.001278504 0.002610945 0.002428462 -0.000021664 -0.001771793 -0.000574118 0.000170542 0.001020831 0.015935575 0.004572110 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1914.78301960342 -1914.78359465566 -0.000575052242 -1914.78356738661 0.000027269053 -1914.78361190615 -0.000044519543 -1914.78361254115 -0.000000634995 -1914.78361292233 -0.000000381187 -1914.78361294116 -0.000000018827 -1914.78361294424 -0.000000003075 -1914.78361294408 0.000000000159 -1914.78361294460 -0.000000000525 -1914.78361294496 -0.000000000359 -1914.78361294481 0.000000000146 -1914.78361294 12 1.907935523722e+03 -1.345956994157e+04 5.166382230968e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1413758540 LenY= 1412856990 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. -19.10800 -19.10764 -19.07473 -19.04194 -19.03679 -19.03494 -19.02747 -19.02003 -19.01113 -19.00958 -19.00940 -19.00636 -18.94016 -14.27425 -14.27260 -14.26437 -14.22315 -14.21675 -10.26477 -10.23105 -10.22159 -10.19528 -10.19367 -10.15017 -10.14951 -10.14731 -10.14490 -10.14428 -10.14178 -10.13153 -10.13088 -10.12632 -10.11882 -10.09380 -10.07862 -1.07310 -1.03429 -1.02947 -0.99215 -0.97631 -0.96619 -0.96223 -0.95195 -0.94826 -0.93459 -0.92826 -0.91620 -0.89432 -0.86378 -0.86233 -0.82896 -0.81822 -0.81626 -0.72266 -0.70831 -0.69606 -0.65580 -0.63436 -0.61732 -0.60097 -0.59101 -0.57529 -0.55054 -0.53703 -0.51865 -0.50764 -0.49884 -0.48671 -0.48104 -0.47335 -0.47247 -0.46411 -0.45229 -0.44793 -0.43887 -0.43566 -0.43281 -0.42927 -0.42718 -0.42571 -0.42257 -0.41864 -0.41520 -0.40279 -0.39710 -0.39332 -0.37866 -0.37502 -0.37325 -0.36579 -0.36271 -0.36032 -0.35934 -0.35133 -0.34648 -0.34225 -0.33963 -0.33744 -0.33413 -0.33271 -0.32858 -0.31553 -0.30217 -0.29843 -0.29508 -0.29396 -0.28312 -0.28156 -0.27512 -0.27066 -0.26777 -0.26467 -0.26424 -0.25894 -0.24830 -0.23353 -0.22036 -0.21298 -0.20949 -0.20791 -0.20369 -0.20250 -0.20123 -0.19934 -0.19606 -0.18522 -0.18158 -0.17940 -0.16435 -0.15291 -0.14697 -0.13796 -0.11069 0.04550 0.06257 0.07453 0.07952 0.08292 0.09040 0.09350 0.09800 0.10211 0.10566 0.11122 0.11177 0.11642 0.12115 0.12291 0.12508 0.12670 0.12902 0.13053 0.13254 0.13407 0.14201 0.14329 0.14921 0.15155 0.15481 0.15736 0.16102 0.16154 0.16669 0.16938 0.17479 0.17609 0.17984 0.18062 0.18573 0.18685 0.19033 0.19211 0.19466 0.19756 0.20203 0.20278 0.21022 0.21162 0.21506 0.21850 0.22091 0.22112 0.22326 0.22557 0.22739 0.22909 0.23096 0.23353 0.23621 0.23892 0.24270 0.24581 0.24907 0.25051 0.25228 0.25656 0.25683 0.26039 0.26406 0.26477 0.26606 0.26887 0.27043 0.27330 0.27589 0.27694 0.27865 0.28178 0.28275 0.28491 0.28582 0.28971 0.29137 0.29404 0.29724 0.29795 0.30180 0.30361 0.30715 0.30834 0.31142 0.31253 0.31588 0.31757 0.31969 0.32282 0.32620 0.32844 0.33114 0.33208 0.33465 0.33652 0.34091 0.34337 0.34395 0.34737 0.34953 0.34993 0.35420 0.35678 0.35860 0.36032 0.36106 0.36265 0.36558 0.36725 0.36957 0.37156 0.37760 0.37874 0.38219 0.38460 0.38699 0.38854 0.39050 0.39257 0.39353 0.39659 0.40075 0.40162 0.40245 0.40396 0.40714 0.40844 0.41015 0.41294 0.41524 0.41728 0.41874 0.41977 0.42381 0.42575 0.42985 0.43257 0.43496 0.43939 0.44054 0.44583 0.44635 0.44925 0.45035 0.45190 0.45417 0.45514 0.45926 0.46102 0.46400 0.46753 0.46945 0.47044 0.47196 0.47502 0.47752 0.48176 0.48368 0.48668 0.48931 0.49220 0.49573 0.49795 0.50013 0.50241 0.50684 0.51010 0.51195 0.51333 0.51840 0.52061 0.52229 0.52311 0.52706 0.53198 0.53668 0.53855 0.54231 0.54311 0.54809 0.55524 0.55571 0.56131 0.56700 0.57120 0.58014 0.58322 0.58705 0.58999 0.59900 0.60756 0.61422 0.61545 0.61999 0.62836 0.63069 0.63429 0.64096 0.64550 0.65241 0.65573 0.65846 0.66642 0.66944 0.67488 0.68137 0.68445 0.69249 0.69366 0.69961 0.70431 0.70678 0.70990 0.71586 0.71770 0.72712 0.72838 0.73614 0.73885 0.74118 0.74715 0.75391 0.75834 0.76432 0.77345 0.77722 0.78379 0.78425 0.78659 0.78941 0.79379 0.79675 0.80071 0.80372 0.80837 0.81062 0.81771 0.82181 0.82599 0.83036 0.83370 0.83791 0.84411 0.84464 0.85397 0.85535 0.86133 0.86345 0.86915 0.87124 0.87247 0.87672 0.88046 0.88823 0.89239 0.89347 0.89570 0.90116 0.90484 0.91335 0.91464 0.91802 0.92298 0.92636 0.93249 0.93781 0.94875 0.95083 0.95863 0.97501 0.98038 0.98681 0.99097 0.99827 1.00581 1.00764 1.01103 1.01899 1.02463 1.02849 1.04262 1.04941 1.05428 1.06321 1.07031 1.07451 1.08342 1.08901 1.09884 1.10442 1.11396 1.12080 1.13110 1.13283 1.14199 1.15634 1.15874 1.16556 1.16795 1.17313 1.18649 1.19107 1.19456 1.19998 1.20098 1.20681 1.21159 1.21568 1.22454 1.23123 1.23692 1.23920 1.24448 1.25232 1.25956 1.26685 1.26923 1.27559 1.27921 1.28098 1.28859 1.29145 1.29630 1.30377 1.30531 1.31124 1.31493 1.31756 1.32427 1.32739 1.33110 1.33476 1.33940 1.34587 1.34982 1.35500 1.35599 1.35802 1.36492 1.36705 1.37430 1.37584 1.37829 1.38348 1.38845 1.39407 1.40026 1.40092 1.41127 1.42398 1.42674 1.43116 1.43756 1.44092 1.44684 1.45266 1.45633 1.46417 1.47180 1.47409 1.47822 1.48232 1.49100 1.49926 1.50655 1.50852 1.51598 1.52237 1.52573 1.52963 1.53568 1.54744 1.54999 1.55825 1.56086 1.56310 1.56855 1.58817 1.59065 1.59448 1.60635 1.61203 1.62553 1.62948 1.63318 1.63675 1.64631 1.65904 1.65950 1.66590 1.67199 1.68458 1.68666 1.69330 1.69622 1.70011 1.70773 1.70940 1.71623 1.71991 1.72437 1.73368 1.74283 1.74481 1.74819 1.75557 1.76163 1.77149 1.77619 1.77958 1.78678 1.78937 1.79897 1.80537 1.80712 1.80878 1.81483 1.82450 1.82803 1.83491 1.83935 1.84112 1.84823 1.85373 1.85723 1.86958 1.87433 1.88435 1.88788 1.89152 1.89850 1.90258 1.90880 1.91411 1.92013 1.92720 1.93478 1.93793 1.93864 1.94581 1.95577 1.96827 1.97909 1.97915 1.98563 1.99846 2.00166 2.00539 2.01321 2.01686 2.02432 2.02621 2.03474 2.04286 2.04340 2.06082 2.06424 2.07264 2.07444 2.08025 2.08464 2.09201 2.09435 2.10822 2.11770 2.12400 2.13071 2.13493 2.14604 2.15232 2.16742 2.17043 2.18151 2.18719 2.19484 2.20550 2.21389 2.21749 2.23290 2.23394 2.24400 2.25670 2.26693 2.27434 2.28549 2.29612 2.30384 2.31086 2.32377 2.33355 2.33861 2.35511 2.36269 2.36662 2.37765 2.38900 2.40194 2.41096 2.41673 2.42860 2.44168 2.44915 2.46034 2.46665 2.47914 2.48560 2.50466 2.52153 2.53586 2.55673 2.56183 2.57389 2.57779 2.60001 2.60481 2.62010 2.62596 2.62988 2.63477 2.64848 2.65467 2.65621 2.66557 2.67097 2.71259 2.71366 2.72666 2.73800 2.74626 2.74771 2.75076 2.75912 2.76544 2.77460 2.77518 2.78894 2.80626 2.81201 2.81881 2.82769 2.84060 2.84669 2.84940 2.85966 2.86943 2.87813 2.88332 2.88953 2.89195 2.89791 2.91375 2.91918 2.92862 2.93158 2.94456 2.94651 2.94812 2.95179 2.95951 2.96911 2.97421 2.97919 2.98150 2.98813 2.99577 2.99889 3.00573 3.01356 3.02013 3.02752 3.03012 3.04077 3.04829 3.05681 3.06089 3.06346 3.06697 3.07531 3.08832 3.09697 3.10064 3.10781 3.11373 3.12029 3.12933 3.13019 3.13848 3.14369 3.14622 3.15765 3.16192 3.16891 3.18292 3.19413 3.19757 3.20072 3.20642 3.22316 3.23029 3.23400 3.23750 3.24292 3.25118 3.25873 3.26061 3.26866 3.27394 3.28563 3.28808 3.30708 3.31368 3.31539 3.32196 3.32687 3.33910 3.34790 3.35433 3.35721 3.36570 3.37064 3.38027 3.39750 3.41573 3.41984 3.43979 3.45281 3.46240 3.46800 3.47448 3.48118 3.48414 3.48809 3.50370 3.50684 3.53033 3.53921 3.55249 3.56079 3.57776 3.58827 3.60268 3.65677 3.67314 3.67409 3.69896 3.72740 3.72864 3.74755 3.76048 3.77498 3.79151 3.80015 3.81702 3.83740 3.85520 3.90391 3.92154 3.92502 3.92797 3.94016 3.94624 3.96566 3.98577 4.00321 4.00483 4.01669 4.03306 4.05461 4.05679 4.06886 4.08620 4.11093 4.11564 4.12170 4.15630 4.16440 4.17563 4.18588 4.19775 4.20860 4.23173 4.26055 4.27039 4.27618 4.29381 4.30816 4.36764 4.37233 4.38418 4.42640 4.43554 4.44606 4.82159 4.84535 4.92891 4.94057 4.94249 5.00764 5.03928 5.04934 5.10737 5.12116 5.15976 5.17111 5.20344 5.21308 5.22557 5.23754 5.25030 5.25566 5.27582 5.28602 5.29240 5.31566 5.33014 5.33755 5.35917 5.37048 5.38711 5.40189 5.48380 5.52269 5.55052 5.56732 5.58158 5.58607 5.59793 5.60463 5.75423 5.77173 5.77540 5.78228 5.79610 5.85098 5.87577 5.90915 5.91717 5.92868 5.97292 5.99371 6.08264 23.86352 23.88470 23.90642 23.91129 23.92189 23.93464 23.95568 23.96967 23.97662 23.99423 24.01278 24.02398 24.03673 24.06263 24.27906 24.37854 24.55521 35.71057 35.72344 35.74022 35.75270 35.79209 50.02071 50.02674 50.04839 50.05236 50.06838 50.08458 50.08995 50.14427 50.15069 50.15546 50.18070 50.19359 50.19806 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 O O O O O O O O O O O O O N N N N N 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 -0.512922 -0.232486 -0.216990 -0.182407 -0.214695 -0.300330 -0.332409 -0.393119 -0.156789 -0.298415 -0.281838 -0.024952 -0.354075 0.211441 0.101184 -0.242768 -0.344439 -0.436365 0.005708 -0.349763 0.108517 -0.180404 -0.458789 0.363465 0.214071 0.272378 -0.478240 -0.316849 0.193392 0.031677 -0.296035 -0.514084 -0.462293 -0.186036 0.042438 0.189070 0.154480 0.102360 0.164450 0.153834 0.334284 0.245156 0.237520 0.106289 0.163412 0.155319 0.322123 0.168605 0.217316 0.249005 0.163713 0.128948 0.167881 0.163864 0.397133 0.246732 0.282321 0.251894 0.457512 -1.00000 -9.99474834e-01 -9.85723631e-01 4.70384046e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -3.0551 -2.3879 1.5323 4.1694 -284.8059 -234.2762 -230.9946 -1.2276 20.2236 1.6914 -34.7804 15.7494 19.0310 -1.2276 20.2236 1.6914 -132.6664 -4.5607 -11.5057 -34.7781 -18.2647 -0.1516 -16.2598 10.5755 -9.5014 0.9314 -10606.8190 -5047.7590 -3394.2748 43.2025 -34.6373 -126.0019 2.3161 104.3741 -10.2469 -2596.3596 -2194.6813 -1493.9264 -136.4661 97.1537 28.9114 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)