Gaussian 09 GINC-KIMIK2035 CBGUSER 000102382 EM64L-G09RevD.01 27-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 326.2435999999998 0 1 AuxInfo=1/0/N:26,24,22,12,14,23,21,11,19,17,16,25,10,13,18,15,8,20,9,7,6,5,3,4,2,1/CRV:1.3,2.3,3.3,7.3,11.3,12.3,14.3,15.3,18.3,25.1/rA:49OO1NNNCCCCCCCC3CCC3CC3CC3C3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s4s6;s3s6;s7;s9;s8s10;s6;s6;s3s12;s1s9;s10;s3s16;s4s13;s15;s2s4s19;s13;s16;s1s22;s18;s5s21;s24s25;s7;s8;s9;s10;s11;s11;s12;s12;s14;s14;s15;s17;s17;s19;s19;s21;s22;s23;s23;s24;s26;s5;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-16428.inp" -scrdir="/scratch/" chk=000102382.chk nprocshared=4 mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000102382 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 16 16 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 15.9949146 15.9949146 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 0 0 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 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 /mnt/data/applications/G09/g09/l101.exe) Initialization pass. 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 1 1 2 3 3 3 4 4 4 5 5 5 6 6 6 6 7 7 8 8 9 9 9 10 10 10 11 11 12 12 12 13 13 14 14 15 15 16 16 17 17 18 19 19 19 21 21 22 22 23 23 24 24 25 26 15 23 20 8 14 17 7 18 20 25 48 49 7 8 12 13 9 27 11 28 10 15 29 11 16 30 31 32 14 33 34 18 21 35 36 19 37 17 22 38 39 24 20 40 41 25 42 23 43 44 45 26 46 26 47 1.4222 1.4458 1.2318 1.4916 1.4681 1.4777 1.4646 1.4052 1.3955 1.4122 1.0113 1.0114 1.548 1.5448 1.5373 1.5067 1.5223 1.098 1.5254 1.0971 1.5181 1.5308 1.1038 1.5329 1.4989 1.0984 1.0978 1.0972 1.5219 1.0958 1.0983 1.4095 1.3868 1.0944 1.0967 1.5429 1.0994 1.5147 1.3473 1.0975 1.098 1.3851 1.5625 1.096 1.0973 1.3963 1.0857 1.5244 1.0885 1.0949 1.0968 1.3971 1.0833 1.4033 1.0878 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 15 8 8 14 7 7 18 25 25 48 7 7 7 8 8 12 4 4 4 6 6 9 3 3 3 6 6 11 7 7 7 10 10 15 9 9 9 11 11 16 8 8 8 10 10 31 6 6 6 14 14 33 6 6 18 3 3 3 12 12 35 1 1 1 9 9 19 10 10 17 3 3 3 16 16 38 4 4 13 15 15 15 20 20 40 2 2 4 13 13 25 16 16 23 1 1 1 22 22 44 18 18 26 5 5 21 24 24 25 1 3 3 3 4 4 4 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 25 25 25 26 26 26 23 14 17 17 18 20 20 48 49 49 8 12 13 12 13 13 6 9 27 9 27 27 6 11 28 11 28 28 10 15 29 15 29 29 11 16 30 16 30 30 10 31 32 31 32 32 14 33 34 33 34 34 18 21 21 12 35 36 35 36 36 9 19 37 19 37 37 17 22 22 16 38 39 38 39 39 13 24 24 20 40 41 40 41 41 4 19 19 25 42 42 23 43 43 22 44 45 44 45 45 26 46 46 21 26 26 25 47 47 112.2734 108.5855 115.6462 113.2664 108.0964 122.2077 128.4268 120.0062 120.0094 119.9749 113.7257 110.7647 100.2289 100.2928 121.387 110.6503 108.8269 103.6097 105.8636 118.0393 108.6661 111.0617 105.1913 111.9281 107.299 113.5818 109.938 108.6975 116.0875 101.9269 110.0457 118.043 103.0593 107.4691 107.7392 110.3697 109.9774 112.1384 107.5764 108.9878 108.8885 110.4378 110.2289 110.4351 110.6028 106.2347 103.0453 113.5633 110.985 112.0097 109.759 107.4653 111.5656 127.9511 120.4287 105.3709 110.9372 112.0186 111.3445 109.5165 107.6884 108.5372 115.7382 107.7648 106.611 112.6311 105.6701 114.6059 120.7785 124.606 114.622 109.9978 107.5531 111.2636 107.7886 105.0768 110.0301 128.4462 121.3763 116.1714 109.5022 109.1048 108.1848 106.8412 106.6049 125.0199 119.2963 115.4981 118.5657 120.5602 120.8701 127.4262 118.0495 114.4691 118.2092 107.3057 106.6992 108.9918 108.1902 106.913 118.0534 122.4524 119.491 119.6909 119.593 120.7157 120.8585 118.9255 120.2147 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 23 23 23 15 15 15 14 14 14 17 17 17 8 8 8 17 17 17 8 8 8 14 14 14 18 18 18 20 20 20 7 7 20 20 7 7 18 18 48 48 49 49 8 8 8 12 12 12 13 13 13 7 7 7 12 12 12 13 13 13 7 7 7 8 8 8 13 13 13 7 7 8 8 12 12 4 4 4 6 6 6 27 27 27 3 3 3 6 6 6 28 28 28 7 7 7 15 15 15 29 29 29 7 7 7 10 10 10 29 29 29 9 9 9 16 16 16 30 30 30 9 9 11 11 30 30 6 6 6 33 33 33 34 34 34 6 6 21 21 6 6 18 18 1 1 1 9 9 9 37 37 37 10 10 10 22 22 22 10 10 17 17 4 4 13 13 15 15 40 40 41 41 13 13 42 42 16 16 16 43 43 43 18 18 46 46 5 5 21 21 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 19 19 21 21 21 21 22 22 22 22 22 22 24 24 24 24 25 25 25 25 15 15 15 23 23 23 8 8 8 8 8 8 14 14 14 14 14 14 17 17 17 17 17 17 7 7 7 7 7 7 18 18 18 18 20 20 20 20 25 25 25 25 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 15 15 15 11 11 11 11 11 11 11 11 11 16 16 16 16 16 16 14 14 14 14 14 14 14 14 14 18 18 18 18 21 21 21 21 19 19 19 19 19 19 19 19 19 17 17 17 17 17 17 22 22 22 22 24 24 24 24 20 20 20 20 20 20 25 25 25 25 23 23 23 23 23 23 26 26 26 26 26 26 26 26 9 19 37 22 44 45 6 11 28 6 11 28 12 35 36 12 35 36 16 38 39 16 38 39 6 9 27 6 9 27 13 24 13 24 2 19 2 19 21 26 21 26 4 9 27 4 9 27 4 9 27 3 11 28 3 11 28 3 11 28 14 33 34 14 33 34 14 33 34 18 21 18 21 18 21 10 15 29 10 15 29 10 15 29 10 31 32 10 31 32 10 31 32 11 16 30 11 16 30 11 16 30 1 19 37 1 19 37 1 19 37 8 31 32 8 31 32 8 31 32 17 22 17 22 17 22 3 35 36 3 35 36 3 35 36 4 24 4 24 25 42 25 42 20 40 41 20 40 41 20 40 41 3 38 39 3 38 39 23 43 23 43 26 46 26 46 2 4 2 4 2 4 5 26 5 26 1 44 45 1 44 45 25 47 25 47 24 47 24 47 90.8785 -149.3609 -31.371 -45.0914 -168.7288 76.9658 -14.6903 -138.4824 102.3527 113.8983 -9.8939 -129.0588 -11.7969 -132.4169 107.209 -141.7103 97.6698 -22.7043 -40.4004 -166.6509 79.4306 85.8476 -40.4029 -154.3215 8.028 -118.3809 124.6703 176.158 49.7492 -67.1996 -1.3042 174.2688 -168.4684 7.1046 171.337 -13.6731 -23.1153 151.8747 0.6744 -179.5422 179.5541 -0.6625 -141.916 -24.3185 103.2485 106.0365 -136.366 -8.799 -10.8145 106.7829 -125.65 -83.7815 38.9532 160.9875 34.4744 157.2091 -80.7566 156.5247 -80.7405 41.2937 79.0795 -42.3021 -163.4983 -41.3318 -162.7134 76.0904 -170.6865 67.9318 -53.2644 10.3041 -172.4086 136.3924 -46.3203 -106.6322 70.6551 152.7106 -77.6143 36.1934 32.3705 162.0456 -84.1466 -94.0475 35.6275 149.4353 57.8435 -63.5766 179.34 -61.0997 177.4801 60.3967 176.1802 54.76 -62.3233 -52.1527 70.5871 -169.1302 -173.5873 -50.8474 69.4352 68.2023 -169.0579 -48.7752 -163.0706 71.6192 -43.8321 -34.6269 -159.9371 84.6116 81.224 -44.0862 -159.5375 65.9085 -172.6697 -55.3598 -55.7385 65.6832 -177.0068 -175.5625 -54.1408 63.1692 -113.4937 65.4288 6.6343 -174.4432 125.6311 -55.4464 33.7281 154.0805 -86.9325 156.1581 -83.4895 35.4974 -84.5556 35.7968 154.7837 -6.2198 177.8406 176.2608 0.3212 -177.1791 2.0961 -0.1051 179.1701 -156.7187 80.3969 -35.9311 -35.9133 -158.7977 84.8743 84.1359 -38.7486 -155.0765 42.0773 167.67 -77.6224 -136.798 -11.2053 103.5023 -4.5695 178.2952 174.2403 -2.895 -175.6066 3.7382 -0.4793 178.8656 -178.6329 6.0711 -55.0621 129.6419 59.3759 -115.9201 179.8475 0.0666 0.5747 -179.2062 -17.79 105.0032 -139.0878 159.4324 -77.7744 38.1346 0.4377 -179.9663 -178.9272 0.6688 179.9804 0.3896 -0.2385 -179.8293 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 3.00e-01 1.00e-07 1.00e-06 294 294 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 20503 NPrTT= 104811 LenC2= 18462 LenP2D= 59296. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 306 RedAO= T EigKep= 3.19D-04 NBF= 306 NBsUse= 306 1.00D-06 EigRej= -1.00D+00 NBFU= 306 Using GEDIIS/GDIIS optimizer. local minimum Step number 9 out of a maximum of 294 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00218 0.00357 0.00666 0.00943 0.01055 0.01182 0.01366 0.01409 0.01506 0.01529 0.01530 0.01557 0.01653 0.01899 0.01930 0.01985 0.02084 0.02110 0.02187 0.02203 0.02211 0.02227 0.02378 0.02666 0.03082 0.03185 0.03582 0.03651 0.03773 0.04063 0.04168 0.04298 0.04419 0.04545 0.04703 0.04831 0.04924 0.05034 0.05123 0.05319 0.05432 0.05623 0.05699 0.05863 0.06070 0.06177 0.06484 0.06647 0.06723 0.06844 0.07039 0.07186 0.07675 0.07822 0.08263 0.08340 0.08877 0.09294 0.09819 0.10036 0.10121 0.10638 0.10795 0.11296 0.11994 0.12430 0.13565 0.14134 0.14795 0.15688 0.15970 0.16000 0.16000 0.16007 0.16012 0.16955 0.17659 0.18538 0.19696 0.20893 0.21866 0.22453 0.22622 0.23438 0.23570 0.24510 0.24683 0.24990 0.25143 0.25468 0.25925 0.26443 0.26891 0.27263 0.27513 0.28047 0.28800 0.29104 0.30084 0.30350 0.31142 0.31872 0.33068 0.33244 0.33341 0.33697 0.33758 0.33836 0.33879 0.33907 0.33936 0.33947 0.33980 0.34004 0.34016 0.34044 0.34074 0.34140 0.34169 0.34278 0.34283 0.34562 0.35006 0.35059 0.35295 0.35600 0.35892 0.37539 0.39148 0.42220 0.42951 0.43368 0.44112 0.44795 0.45732 0.45764 0.46132 0.47181 0.49228 0.53810 0.86462 RFO step: Lambda=-1.40083162D-07. 1 2 0.00067360 0.00000068 0.00000054 0.00000021 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 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 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 2.77640 2.82043 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0.00004 0.00011 -0.00001 0.00003 -0.00001 0.00006 0.00026 -0.00003 -0.00004 0.00005 0.00005 -0.00002 -0.00001 -0.00007 0.00001 -0.00002 0.00010 -0.00010 -0.00004 -0.00005 -0.00014 -0.00001 -0.00001 -0.00003 0.00000 -0.00005 0.00003 0.00003 -0.00007 0.00007 0.00008 0.00002 -0.00001 -0.00002 0.00002 -0.00007 -0.00005 0.00002 0.00001 0.00002 0.00051 0.00006 0.00012 -0.00003 0.00015 0.00000 0.00045 0.00008 0.00005 -0.00013 -0.00018 -0.00003 0.00005 0.00005 0.00016 -0.00008 -0.00006 0.00001 0.00008 0.00013 -0.00015 -0.00001 -0.00010 0.00001 0.00003 0.00010 -0.00006 0.00002 -0.00003 -0.00003 -0.00003 0.00000 0.00007 0.00002 -0.00005 -0.00003 -0.00008 0.00012 0.00003 0.00000 -0.00001 -0.00009 0.00010 0.00001 -0.00005 0.00004 0.00010 -0.00010 -0.00002 0.00003 -0.00004 0.00002 -0.00018 0.00019 0.00000 -0.00008 -0.00013 -0.00008 0.00007 0.00009 0.00013 0.00036 -0.00029 0.00014 -0.00007 -0.00028 0.00012 0.00004 -0.00014 0.00010 0.00001 -0.00002 -0.00006 0.00005 -0.00003 0.00006 0.00005 -0.00005 -0.00001 0.00018 0.00018 -0.00029 0.00002 -0.00016 0.00003 0.00000 -0.00004 0.00002 0.00003 0.00003 -0.00006 -0.00024 0.00016 0.00008 0.00013 -0.00001 -0.00018 -0.00012 0.00010 0.00007 -0.00002 -0.00008 0.00010 -0.00001 0.00006 -0.00005 0.00006 0.00001 -0.00007 -0.00135 -0.00138 -0.00130 0.00289 0.00296 0.00297 -0.00002 -0.00008 -0.00013 0.00011 0.00005 0.00000 0.00008 0.00011 0.00009 -0.00013 -0.00010 -0.00012 0.00017 0.00011 0.00008 0.00035 0.00030 0.00027 -0.00031 -0.00044 -0.00048 0.00119 0.00106 0.00103 0.00044 -0.00004 -0.00106 -0.00154 -0.00127 -0.00173 0.00044 -0.00002 -0.00003 0.00007 -0.00004 0.00007 -0.00004 0.00001 -0.00003 0.00000 0.00005 0.00002 0.00009 0.00014 0.00010 0.00004 0.00004 0.00008 -0.00003 -0.00003 0.00001 0.00001 0.00000 0.00004 -0.00020 -0.00025 -0.00020 -0.00001 -0.00006 -0.00001 -0.00020 -0.00025 -0.00020 0.00017 0.00020 0.00008 0.00012 0.00021 0.00025 0.00000 -0.00004 -0.00005 -0.00001 -0.00005 -0.00006 0.00010 0.00005 0.00005 -0.00018 -0.00013 -0.00019 -0.00012 -0.00007 -0.00013 -0.00013 -0.00008 -0.00013 0.00005 0.00014 0.00008 0.00012 0.00022 0.00015 0.00005 0.00014 0.00008 -0.00037 -0.00020 -0.00015 -0.00044 -0.00026 -0.00022 -0.00033 -0.00016 -0.00012 0.00000 -0.00011 -0.00009 0.00000 -0.00012 -0.00009 -0.00011 -0.00022 -0.00019 0.00021 0.00004 0.00021 0.00003 0.00033 0.00015 -0.00007 -0.00024 0.00003 -0.00011 -0.00028 -0.00001 -0.00009 -0.00026 0.00001 -0.00038 0.00005 -0.00043 0.00001 0.00002 -0.00001 0.00005 0.00002 -0.00082 -0.00116 -0.00112 -0.00059 -0.00093 -0.00089 -0.00090 -0.00124 -0.00120 -0.00031 -0.00030 -0.00021 -0.00012 -0.00011 -0.00002 0.00097 0.00039 0.00078 0.00020 0.00042 0.00077 -0.00010 0.00025 0.00105 0.00150 0.00145 0.00190 0.00142 0.00187 0.00009 -0.00001 0.00012 0.00002 -0.00285 -0.00286 -0.00279 -0.00230 -0.00231 -0.00223 0.00014 0.00010 -0.00022 -0.00026 -0.00019 -0.00015 -0.00008 -0.00005 2.77600 2.82071 2.39948 2.85957 2.81952 2.82706 2.82662 2.71210 2.64407 2.64489 1.91832 1.91844 2.94076 2.97296 2.95552 2.87934 2.91555 2.09146 2.90940 2.09734 2.90452 2.91187 2.09642 2.92165 2.88277 2.09079 2.08979 2.09109 2.92098 2.08578 2.08889 2.69182 2.65067 2.09114 2.10811 2.92410 2.09780 2.89361 2.57563 2.08810 2.09562 2.66290 2.95564 2.08782 2.09152 2.69946 2.07382 2.89792 2.08078 2.09274 2.10112 2.66782 2.06344 2.69528 2.07296 1.94266 1.90787 2.03522 2.01702 1.88965 2.09638 2.21550 2.11183 2.10651 2.06484 1.94614 1.91588 1.78358 1.74314 2.11124 1.96471 1.86548 1.83049 1.90066 2.07296 1.89167 1.89645 1.82650 1.92444 1.91087 2.00546 1.88047 1.91286 2.02498 1.76903 1.88043 2.03627 1.84925 1.89750 1.87210 1.93317 1.87049 1.95643 1.91974 1.90976 1.90801 1.91394 1.91029 1.94199 1.92173 1.86742 1.80329 1.95937 1.90601 1.97298 1.93618 1.88522 1.92382 2.25477 2.10173 1.82567 1.94510 1.94250 1.95431 1.92604 1.87152 1.94333 1.97783 1.87122 1.87055 1.89513 1.90437 1.98096 2.11206 2.18867 1.97353 1.88301 1.89270 1.94586 1.90615 1.85836 1.92191 2.24876 2.11183 2.01949 1.95908 1.90088 1.89106 1.82565 1.85634 2.12992 2.09329 2.05877 2.08620 2.10507 2.09191 2.22555 2.07683 1.98080 2.06694 1.81073 1.88325 1.93630 1.88169 1.87642 2.06603 2.09627 2.12082 2.10196 2.10241 2.07880 2.12164 2.08075 2.08079 1.54365 -2.62924 -0.52695 -0.62353 -2.77770 1.51820 -0.26919 -2.43495 1.74237 2.05900 -0.10676 -2.21262 -0.20053 -2.31558 1.87931 -2.53806 1.63007 -0.45822 -0.78533 -2.94560 1.33135 1.49269 -0.66758 -2.67382 0.20708 -2.00860 2.24723 2.95388 0.73820 -1.28915 -0.05917 3.04238 -2.77143 0.33012 -3.09266 -0.00380 -0.42563 2.66322 0.00411 3.13925 -3.14073 -0.00560 -2.54072 -0.47744 1.69638 1.82740 -2.39250 -0.21869 -0.26114 1.80214 -2.30723 -1.40922 0.70379 2.84129 0.61455 2.72756 -1.41813 2.77825 -1.39193 0.74557 1.30906 -0.82221 -2.91255 -0.73747 -2.86874 1.32410 -3.00006 1.15186 -0.93848 0.23406 -2.98989 2.40775 -0.81619 -1.81990 1.23934 2.70569 -1.35375 0.63725 0.62424 2.84799 -1.44419 -1.54724 0.67651 2.66751 0.99405 -1.13939 3.10023 -1.06450 3.08524 1.04167 3.09872 0.96528 -1.07828 -0.91806 1.22205 -2.97901 -3.00150 -0.86139 1.22073 1.16741 -2.97567 -0.89354 -2.87106 1.24010 -0.81485 -0.65467 -2.82670 1.40154 1.43393 -0.73810 -2.79305 1.12227 -3.04439 -0.97691 -1.00335 1.11318 -3.10253 -3.13224 -1.01572 1.05176 -1.97571 1.11024 0.11456 -3.08267 2.24915 -0.94808 0.59464 2.70360 -1.49627 2.71677 -1.45746 0.62585 -1.44577 0.66319 2.74650 -0.11865 3.05932 3.09694 -0.00827 -3.05868 0.08053 -0.00672 3.13249 -2.67462 1.42586 -0.62502 -0.52373 -2.70644 1.52587 1.52518 -0.65753 -2.70841 0.76974 2.89508 -1.33932 -2.31334 -0.18801 1.86078 0.03923 -3.10552 3.11821 -0.02653 -3.08279 0.04601 0.01494 -3.13944 2.97800 -0.11201 -1.08791 2.10528 0.88687 -2.20313 -3.13351 0.01446 0.01045 -3.12477 -0.48005 1.61030 -2.62257 2.66454 -1.52829 0.52203 -0.00692 3.13561 -3.13554 0.00700 3.14027 -0.00226 -0.00769 3.13296 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000130 0.000014 0.005177 0.000674 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -3.121219e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 1 1 2 3 3 3 4 4 4 5 5 5 6 6 6 6 7 7 8 8 9 9 9 10 10 10 11 11 12 12 12 13 13 14 14 15 15 16 16 17 17 18 19 19 19 21 21 22 22 23 23 24 24 25 26 15 23 20 8 14 17 7 18 20 25 48 49 7 8 12 13 9 27 11 28 10 15 29 11 16 30 31 32 14 33 34 18 21 35 36 19 37 17 22 38 39 24 20 40 41 25 42 23 43 44 45 26 46 26 47 1.4692 1.4925 1.2697 1.5131 1.4919 1.496 1.4959 1.4354 1.3993 1.3997 1.0151 1.0152 1.5562 1.5732 1.564 1.5237 1.5428 1.1068 1.5396 1.1099 1.537 1.5408 1.1094 1.5461 1.5255 1.1064 1.1059 1.1066 1.5458 1.1037 1.1054 1.4244 1.4027 1.1066 1.1156 1.5474 1.1101 1.5312 1.363 1.105 1.109 1.4091 1.564 1.1049 1.1067 1.4285 1.0974 1.5335 1.1011 1.1074 1.1119 1.4118 1.0919 1.4263 1.097 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 15 8 8 14 7 7 18 25 25 48 7 7 7 8 8 12 4 4 4 6 6 9 3 3 3 6 6 11 7 7 7 10 10 15 9 9 9 11 11 16 8 8 8 10 10 31 6 6 6 14 14 33 6 6 18 3 3 3 12 12 35 1 1 1 9 9 19 10 10 17 3 3 3 16 16 38 4 4 13 15 15 15 20 20 40 2 2 4 13 13 25 16 16 23 1 1 1 22 22 44 18 18 26 5 5 21 24 24 25 1 3 3 3 4 4 4 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 25 25 25 26 26 26 23 14 17 17 18 20 20 48 49 49 8 12 13 12 13 13 6 9 27 9 27 27 6 11 28 11 28 28 10 15 29 15 29 29 11 16 30 16 30 30 10 31 32 31 32 32 14 33 34 33 34 34 18 21 21 12 35 36 35 36 36 9 19 37 19 37 37 17 22 22 16 38 39 38 39 39 13 24 24 20 40 41 40 41 41 4 19 19 25 42 42 23 43 43 22 44 45 44 45 45 26 46 46 21 26 26 25 47 47 111.277 109.3091 116.6027 115.5685 108.2602 120.1136 126.9128 120.9943 120.6913 118.3141 111.5159 109.7734 102.1889 99.8714 120.9559 112.5741 106.8879 104.8787 108.8952 118.7644 108.3933 108.6592 104.6562 110.262 109.4832 114.8989 107.7467 109.5981 116.0248 101.3598 107.7424 116.67 105.9503 108.7178 107.2658 110.7643 107.1759 112.0883 109.991 109.4208 109.3215 109.6655 109.4457 111.2669 110.1101 106.9931 103.3152 112.2692 109.2072 113.0416 110.9372 108.0137 110.2371 129.1783 120.4205 104.608 111.4536 111.302 111.9694 110.349 107.2227 111.3237 113.3377 107.2047 107.1787 108.5989 109.1052 113.4985 121.0205 125.396 113.0746 107.8898 108.4473 111.4867 109.2163 106.4727 110.1144 128.8478 120.9995 115.6979 112.2366 108.9291 108.3483 104.6112 106.3588 122.0352 119.939 117.9581 119.5289 120.6099 119.8611 127.5288 118.9842 113.4869 118.4197 103.7476 107.9128 110.9486 107.8073 107.507 118.3757 120.1118 121.5081 120.4342 120.4555 119.1093 121.5578 119.2176 119.2245 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 23 23 23 15 15 15 14 14 14 17 17 17 8 8 8 17 17 17 8 8 8 14 14 14 18 18 18 20 20 20 7 7 20 20 7 7 18 18 48 48 49 49 8 8 8 12 12 12 13 13 13 7 7 7 12 12 12 13 13 13 7 7 7 8 8 8 13 13 13 7 7 8 8 12 12 4 4 4 6 6 6 27 27 27 3 3 3 6 6 6 28 28 28 7 7 7 15 15 15 29 29 29 7 7 7 10 10 10 29 29 29 9 9 9 16 16 16 30 30 30 9 9 11 11 30 30 6 6 6 33 33 33 34 34 34 6 6 21 21 6 6 18 18 1 1 1 9 9 9 37 37 37 10 10 10 22 22 22 10 10 17 17 4 4 13 13 15 15 40 40 41 41 13 13 42 42 16 16 16 43 43 43 18 18 46 46 5 5 21 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 19 19 21 21 21 21 22 22 22 22 22 22 24 24 24 24 25 25 25 15 15 15 23 23 23 8 8 8 8 8 8 14 14 14 14 14 14 17 17 17 17 17 17 7 7 7 7 7 7 18 18 18 18 20 20 20 20 25 25 25 25 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 15 15 15 11 11 11 11 11 11 11 11 11 16 16 16 16 16 16 14 14 14 14 14 14 14 14 14 18 18 18 18 21 21 21 21 19 19 19 19 19 19 19 19 19 17 17 17 17 17 17 22 22 22 22 24 24 24 24 20 20 20 20 20 20 25 25 25 25 23 23 23 23 23 23 26 26 26 26 26 26 26 9 19 37 22 44 45 6 11 28 6 11 28 12 35 36 12 35 36 16 38 39 16 38 39 6 9 27 6 9 27 13 24 13 24 2 19 2 19 21 26 21 26 4 9 27 4 9 27 4 9 27 3 11 28 3 11 28 3 11 28 14 33 34 14 33 34 14 33 34 18 21 18 21 18 21 10 15 29 10 15 29 10 15 29 10 31 32 10 31 32 10 31 32 11 16 30 11 16 30 11 16 30 1 19 37 1 19 37 1 19 37 8 31 32 8 31 32 8 31 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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 0 326.2435999999998 AuxInfo=1/0/N:26,24,22,12,14,23,21,11,19,17,16,25,10,13,18,15,8,20,9,7,6,5,3,4,2,1/CRV:1.3,2.3,3.3,7.3,11.3,12.3,14.3,15.3,18.3,25.1/rA:49OO1NNNCCCCCCCC3CCC3CC3CC3C3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s4s6;s3s6;s7;s9;s8s10;s6;s6;s3s12;s1s9;s10;s3s16;s4s13;s15;s2s4s19;s13;s16;s1s22;s18;s5s21;s24s25;s7;s8;s9;s10;s11;s11;s12;s12;s14;s14;s15;s17;s17;s19;s19;s21;s22;s23;s23;s24;s26;s5;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.891539 0.000000 5.225117 6.838370 0.000000 4.192226 2.331915 4.565686 0.000000 9.218850 6.786855 6.828478 5.568264 0.000000 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3.147474 2.910476 2.476937 1.498900 2.515628 4.102413 4.875210 3.267306 3.002886 0.000000 4.547247 7.250789 1.477728 5.155606 8.116544 3.469513 3.699038 2.513273 3.542536 2.536114 2.712452 3.626479 4.918677 2.460222 4.295629 1.514747 0.000000 5.429500 3.006980 4.811708 1.405203 4.180458 2.412105 2.323414 3.737154 3.310060 4.400107 4.171847 3.384714 1.409539 4.617367 4.157380 5.324354 5.704052 0.000000 2.511705 2.417127 5.749993 2.503224 7.925926 4.385480 2.871187 5.227517 2.464606 3.861967 4.900494 5.302419 4.686529 5.648995 1.542863 4.490830 5.696275 3.819888 0.000000 3.876619 1.231842 5.691837 1.395500 6.630236 3.785003 2.504247 4.957652 2.813051 4.326325 4.934501 4.684617 3.657554 5.435994 2.635976 5.108861 6.033100 2.521814 1.562500 0.000000 7.045214 5.418488 4.504955 3.612201 2.428483 2.600640 3.709367 3.309790 4.658279 5.088102 4.120580 3.262321 1.386771 4.548983 5.923515 5.940274 5.763890 2.426915 6.005773 4.896263 0.000000 2.549033 6.566615 3.686553 5.079959 9.464811 4.582380 3.852236 4.203217 3.062009 2.475636 3.778734 5.033252 5.903887 4.127019 2.891258 1.347311 2.535313 6.128200 4.423963 5.372475 7.078780 0.000000 1.445763 6.094714 4.980663 5.119284 10.006937 5.322120 4.221779 5.202861 3.161025 3.043374 4.558920 5.968362 6.434072 5.319791 2.381470 2.575934 3.980619 6.337728 3.727122 5.010767 7.701467 1.524399 0.000000 6.487363 3.079907 6.130216 2.512692 3.718743 3.725652 3.677814 4.975533 4.517646 5.636337 5.332348 4.590134 2.436890 5.924841 5.255395 6.661578 7.063193 1.385129 4.601898 3.136686 2.833104 7.442160 7.528374 0.000000 7.890390 5.449940 5.886315 4.157202 1.412237 3.835699 4.669560 4.652639 5.576857 6.185469 5.285434 4.487395 2.392611 5.864706 6.738207 7.162654 7.109537 2.768340 6.528113 5.231389 1.396301 8.244048 8.710049 2.435623 0.000000 7.649741 4.455436 6.572791 3.733558 2.433331 4.269655 4.656354 5.336586 5.519091 6.416648 5.797611 5.028532 2.776218 6.443370 6.457510 7.470084 7.667718 2.385477 5.935939 4.512178 2.433240 8.400748 8.634588 1.397060 1.403318 0.000000 3.691632 3.909491 3.301824 2.056660 6.767958 2.165606 1.097992 3.179907 2.173581 3.128168 3.705495 2.483563 3.126410 2.770722 2.405401 3.205622 3.692530 3.057777 2.985466 2.799271 4.463592 3.645556 4.051718 4.361599 5.433992 5.391646 0.000000 6.091821 6.741582 2.098012 4.458837 5.078675 2.178502 3.506594 1.097081 3.936850 3.438609 2.145541 2.768040 2.834495 2.980192 5.355833 3.897022 3.266361 4.127842 6.181157 5.753334 2.990583 5.220799 6.259510 5.198596 4.336750 5.268861 4.134093 0.000000 2.801712 3.738907 4.344682 2.400113 6.545127 3.092135 2.165138 3.408247 1.103807 2.068846 2.667422 4.485995 3.411505 4.815551 2.139241 3.367197 4.413513 3.138581 2.522528 2.706755 4.544891 3.970141 3.852130 4.122797 5.266836 5.092150 3.036956 4.228420 0.000000 2.663451 5.936654 3.893841 4.426197 7.998650 4.030300 3.503584 3.428610 2.156487 1.098436 2.138558 5.193850 4.897996 4.858475 2.956225 2.127124 3.290488 5.133261 4.136105 4.818462 5.873230 2.745122 2.960826 6.254631 6.873645 7.038752 4.078863 4.254147 2.313055 0.000000 4.917521 7.110242 2.790327 5.077930 6.888735 3.515271 3.991655 2.168281 3.428954 2.174897 1.097791 4.504535 4.365743 4.165544 4.757236 2.822305 2.751706 5.223129 5.865991 6.006222 4.872763 4.068135 4.971389 6.339361 6.048674 6.688555 4.677884 2.452342 3.610827 2.438426 0.000000 4.612494 5.719081 3.447298 3.832600 5.668362 2.826441 3.158617 2.165198 2.670021 2.176575 1.097204 4.224685 3.173066 4.455687 4.164093 3.464113 3.804327 3.807783 4.876316 4.743279 3.735429 4.626727 5.157641 4.775939 4.708740 5.154120 4.129812 2.497518 2.414564 2.499261 1.755703 0.000000 5.995672 5.206742 3.325140 3.279235 5.825426 2.215987 2.706387 3.361969 4.150155 4.740680 4.619774 1.095760 2.866339 2.183280 4.738156 4.694571 4.399243 3.356868 5.131265 4.404277 3.712172 5.415904 6.191370 4.463351 4.723511 5.033326 2.344859 3.827902 4.835454 5.819906 5.463163 5.031145 0.000000 6.846646 6.358696 2.829021 4.195734 5.013823 2.186009 3.484283 2.735231 4.726706 4.891673 4.231632 1.098283 2.714957 2.156953 5.727072 4.945719 4.248877 3.822586 6.283928 5.530449 2.980804 5.975407 6.985096 4.843565 4.193670 4.979005 3.557938 2.692059 5.276997 5.951381 4.859437 4.619262 1.768981 0.000000 6.545100 7.478010 2.121611 5.322954 7.330682 3.341876 4.130611 3.231616 5.014971 4.783911 4.535770 2.174018 4.572530 1.094432 5.709448 4.113778 3.037387 5.513720 6.692819 6.448507 5.160026 4.899509 6.184997 6.758047 6.465912 7.156978 3.766472 3.546846 5.902713 5.822088 4.898189 5.368479 2.696161 2.376826 0.000000 4.950442 6.210023 2.136634 4.217757 7.615175 2.853419 2.946951 3.070408 3.710082 3.734751 4.026185 2.152697 4.250428 1.096722 4.099082 2.984792 2.529055 4.822158 5.127417 5.116493 5.252639 3.518915 4.621273 6.160764 6.498815 6.881221 2.318441 3.863135 4.727610 4.767255 4.614798 4.868067 2.382371 3.029160 1.769173 0.000000 2.045796 4.127566 4.439036 3.144380 8.464067 3.891221 2.492720 4.463008 2.201668 3.112138 4.363206 4.406619 4.825402 4.231762 1.099391 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4.911407 6.238564 6.840203 6.648806 7.289198 3.684236 3.624945 5.925289 5.886002 4.934185 5.431328 2.751167 2.448346 0.000000 4.997648 6.253323 2.163254 4.178639 7.767526 2.904376 2.916055 3.125524 3.714433 3.771127 4.072556 2.198450 4.327255 1.115589 4.053825 3.034385 2.617556 4.849398 5.052335 5.087465 5.374545 3.535815 4.679868 6.205197 6.640471 6.970148 2.191604 3.930733 4.725295 4.809665 4.661099 4.915029 2.449514 3.094526 1.788899 0.000000 2.087049 4.290409 4.278819 3.182293 8.534328 3.859476 2.458733 4.376080 2.167330 3.031135 4.287206 4.367251 4.849357 4.105614 1.110111 2.896127 4.017662 4.535630 2.179777 3.107620 6.234890 2.582130 2.445201 5.743895 7.178990 6.949103 1.962266 5.467949 3.058624 3.555595 5.123450 4.767554 4.321242 5.457976 5.063717 3.317155 0.000000 5.113978 7.911819 2.115327 5.860512 9.065035 4.271272 4.374780 3.470239 4.363342 3.503900 3.816058 4.061123 5.780277 2.615705 4.814962 2.192064 1.104974 6.519287 6.234126 6.652892 6.670153 2.734068 4.263655 7.922530 8.060003 8.586292 4.004026 4.184056 5.352168 4.251511 3.818505 4.912338 4.730742 4.666986 2.866937 2.486291 4.294606 0.000000 5.242293 8.103994 2.125521 6.036550 8.558352 4.249688 4.579081 2.938541 4.246501 2.941660 2.807856 4.516043 5.589715 3.413198 5.096459 2.166181 1.108980 6.482149 6.526219 6.875598 6.287828 3.195235 4.583846 7.824698 7.670683 8.327795 4.635867 3.453991 4.986136 3.484128 2.374828 3.879801 5.427636 4.942807 3.820002 3.677200 4.953992 1.773626 0.000000 2.993419 2.778728 6.381714 3.246199 8.817139 5.168901 3.632918 6.092265 3.435294 4.782196 5.914786 5.848138 5.545842 6.087204 2.215698 5.147915 6.338257 4.610223 1.104863 2.180575 6.897438 4.818343 4.075092 5.341231 7.422550 6.731854 3.460856 7.082452 3.645510 5.036642 6.883935 5.992780 5.503351 6.877189 7.065581 5.379738 2.422845 6.700201 7.224341 0.000000 2.610748 2.645912 6.428003 3.238779 8.328293 5.114232 3.677946 5.820865 2.950257 4.220215 5.271283 6.199530 5.295946 6.510067 2.174995 5.032077 6.347586 4.383943 1.106746 2.131767 6.540855 4.918824 4.062025 5.012503 6.987769 6.308122 3.994277 6.740623 2.658898 4.182761 6.196113 5.100991 6.110175 7.142357 7.585838 6.013136 3.056255 6.954703 7.038219 1.770429 0.000000 7.675498 6.407813 4.355052 4.520797 2.695973 2.934855 4.324089 3.212499 5.192816 5.351144 4.153968 3.423247 2.177062 4.561519 6.561774 6.127304 5.699415 3.452256 6.855308 5.832051 1.097407 7.358160 8.176320 3.957775 2.192211 3.457185 5.052429 2.530928 5.122195 6.148716 4.692821 3.866285 4.055184 2.865783 5.053634 5.434430 6.746581 6.470118 5.969120 7.698429 7.346896 0.000000 3.506805 7.446755 4.024733 5.945288 10.371085 5.336725 4.653978 4.904953 4.099770 3.514311 4.673961 5.488852 6.754810 4.317167 3.774951 2.127117 2.798180 7.025664 5.246973 6.213248 7.930026 1.101110 2.215863 8.391324 9.178192 9.358691 4.150308 5.894425 5.097592 3.834964 4.865427 5.614207 5.852261 6.396037 4.866064 3.599916 3.229114 2.510814 3.408033 5.496430 5.835946 8.025491 0.000000 2.059014 6.954383 5.673801 6.112080 10.816908 6.252453 5.202362 5.898106 3.953048 3.535054 5.002444 6.996606 7.332311 6.249048 3.320509 3.154162 4.546667 7.275038 4.563784 5.893732 8.545977 2.189156 1.107419 8.451772 9.580412 9.518652 5.099642 6.912703 4.498817 3.073704 5.236878 5.553448 7.343104 7.954857 7.073572 5.623197 3.511423 4.825024 4.872676 4.907237 4.622026 8.838257 2.757661 0.000000 2.117726 6.459183 5.643420 5.688987 10.877358 6.071020 4.852730 6.064663 4.005826 4.064294 5.574651 6.527703 7.209124 5.780941 2.904921 3.403493 4.684318 7.013439 4.023893 5.399646 8.538672 2.151958 1.111906 8.207626 9.561419 9.393992 4.405611 7.158721 4.774264 4.045200 6.030381 6.202067 6.633763 7.579398 6.552231 4.910994 2.595686 4.696498 5.344669 4.015617 4.399586 8.914238 2.374176 1.789845 0.000000 6.704185 2.420089 7.007517 2.862910 4.640520 4.589163 4.270285 5.922043 4.989304 6.292600 6.205450 5.442054 3.453755 6.731125 5.464138 7.334729 7.886469 2.172960 4.522396 2.991559 3.952245 7.943124 7.884890 1.091913 3.471782 2.190127 4.920262 6.235105 4.482987 6.800648 7.252234 5.645983 5.124949 5.805980 7.616955 6.806583 5.905529 8.593489 8.580805 5.040917 4.749074 5.049601 8.794511 8.652774 8.324427 0.000000 8.668897 4.907549 7.764936 4.718541 2.682895 5.414494 5.777400 6.505781 6.576788 7.545224 6.942417 6.163859 3.910756 7.619763 7.452861 8.668991 8.895603 3.417007 6.790717 5.291783 3.452800 9.555309 9.748457 2.169859 2.182956 1.096950 6.557890 6.378977 6.010260 8.087155 7.817464 6.228752 6.055781 6.074254 8.342665 8.032878 7.892896 9.681829 9.407181 7.441095 6.981524 4.361149 10.405702 10.456114 10.332440 2.518031 0.000000 9.730260 7.535203 6.830635 6.201195 1.015126 5.250035 6.444649 5.643478 7.274005 7.573893 6.357825 5.704145 4.062712 6.972830 8.600095 8.514899 8.158220 4.834827 8.590763 7.332850 2.670572 9.730573 10.416054 4.580562 2.110190 3.377348 7.231827 4.908923 6.946067 8.233511 6.832114 5.797861 6.094451 5.045292 7.381830 7.822989 8.900660 8.945887 8.357233 9.421293 8.935637 2.479483 10.454556 11.044062 11.166936 5.537466 3.695444 0.000000 10.052275 7.064687 7.944470 6.254108 1.015187 5.982168 6.879438 6.678037 7.703305 8.282428 7.262305 6.556051 4.548649 7.964819 8.879507 9.351113 9.226200 4.819990 8.563927 7.161111 3.377351 10.460466 10.937456 4.070409 2.107180 2.664732 7.693847 6.146174 7.220065 8.873726 7.890492 6.565904 6.720135 6.072858 8.487145 8.665716 9.263488 10.033507 9.534365 9.331571 8.811745 3.708146 11.256321 11.589491 11.638825 4.791862 2.460592 1.743177 0.000000 0.3570708 0.1874728 0.1397643 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 297 297 298 298 298 MxSgAt= 49 MxSgA2= 49. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 20503 NPrTT= 104811 LenC2= 18392 LenP2D= 58850. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 306 RedAO= T EigKep= 3.45D-04 NBF= 306 NBsUse= 306 1.00D-06 EigRej= -1.00D+00 NBFU= 306 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 299 299 299 299 299 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 0 1 -1126.79750400758 -1126.80249701712 -0.004993009540 -1127.04941841408 -0.246921396963 -1127.08363149391 -0.034213079825 -1127.20820528747 -0.124573793557 -1127.21083722225 -0.002631934781 -1127.21203450755 -0.001197285303 -1127.21224471221 -0.000210204664 -1127.21225422393 -0.000009511717 -1127.21232551121 -0.000071287278 -1127.21233741264 -0.000011901433 -1127.21233647982 0.000000932824 -1127.21233760617 -0.000001126352 -1127.21233765011 -0.000000043943 -1127.21233765236 -0.000000002242 -1127.21233765262 -0.000000000262 -1127.21233765265 -0.000000000030 -1127.21233765270 -0.000000000053 -1127.21233765 18 1.123187049596e+03 -7.674729162423e+03 2.899983353519e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 303228 IEndB= 303228 NGot= 939524096 MDV= 939331451 LenX= 939331451 LenY= 939237374 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. Integral accuracy reduced to 1.0D-05 until final iterations. -1.09767080e-01 1.90091970e+00 9.47049593e-02 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 8 8 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 -0.012158151 -0.021432739 0.023276454 0.034949478 -0.033235366 -0.004267209 -0.009169652 0.000229794 -0.000103600 0.010981502 -0.012803851 -0.008818342 -0.008750115 -0.005657199 -0.002745903 0.013376945 -0.011005932 -0.005333542 -0.011606738 0.003520988 0.000868695 0.003170418 0.002742564 0.011065528 -0.002721432 -0.000524058 0.002081818 -0.000207346 0.002505792 0.005335912 -0.003557782 0.002430410 -0.000112843 0.002277157 0.003661378 -0.010001793 -0.000309046 0.006412693 0.006135620 0.001533769 0.005225724 -0.009864142 0.015632072 0.002370222 -0.001456830 -0.000577924 0.005733237 -0.002346762 -0.009380743 0.007703003 0.009626571 -0.003023451 -0.000294861 -0.000789736 -0.007552278 0.001321213 -0.004106291 -0.039202493 0.033542841 0.009956986 -0.010225331 0.006884925 -0.002376302 -0.002651515 -0.005955556 -0.005773555 -0.007757311 0.010858975 -0.003099142 0.012359563 -0.010187949 0.000715272 0.033424211 0.013613199 0.009340386 0.003806707 -0.008297058 0.000704942 -0.009314704 0.004441333 -0.002722800 0.009528643 0.001959958 0.001391409 0.006760020 -0.003712873 -0.001534789 -0.002000086 -0.006570806 0.001930951 -0.001818840 0.004936721 0.002050082 0.004862644 -0.003074087 0.002045949 0.002479948 -0.004249276 -0.002878795 0.005216298 0.001392577 0.002587024 -0.001547459 0.005547906 -0.006094214 -0.008818921 -0.006561899 -0.003505579 -0.000470408 0.009648395 -0.006582539 0.000100093 0.001085723 -0.005545124 -0.002332826 0.005817104 0.006183467 0.000223406 -0.006301185 -0.003387539 0.002628200 -0.002886237 0.005434613 0.000168660 0.007336808 0.001342438 -0.006368538 0.001056792 -0.006630714 -0.003501113 -0.004480022 0.007610396 -0.006915620 -0.001097594 -0.010207627 -0.002892376 -0.006008959 -0.002382868 0.005604943 -0.001386806 0.001179227 0.002316252 0.003085227 0.000892711 0.003431268 0.000658812 0.000912130 0.039202493 0.009071090 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1127.23350706516 -1127.23352499889 -0.000017933727 -1127.23352470659 0.000000292294 -1127.23352516427 -0.000000457674 -1127.23352517821 -0.000000013946 -1127.23352518344 -0.000000005231 -1127.23352518381 -0.000000000371 -1127.23352518385 -0.000000000043 -1127.23352518377 0.000000000085 -1127.23352518 9 1.121658089578e+03 -7.614702183803e+03 2.871001600952e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 303228 IEndB= 303228 NGot= 939524096 MDV= 939331451 LenX= 939331451 LenY= 939237374 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 /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 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62.6622 -3.8022 15.6030 45.7254 28.0599 -10.4142 4.9745 9.0103 -1.3064 -5126.9307 -3528.0290 -859.5989 124.9847 303.1015 150.6280 24.3442 -58.7893 11.4577 -1534.0864 -1253.6149 -647.1451 82.4181 57.9820 -4.3899 0 -1127.2335252 6.391E-9 3.571E-5 17.0767866,-15.3683289,-1.7084577,7.5167304,8.2902245,1.6227004 C01 [X(C21H23N3O2)] -0.0432377 2.13094 0.042314 @ 0.000052822 -0.000034094 -0.000062181 0.000076940 -0.000104694 -0.000011245 0.000002047 0.000016700 0.000005985 0.000070912 -0.000054959 0.000127139 -0.000051158 -0.000023025 -0.000020134 0.000020619 -0.000018237 -0.000005496 0.000033626 0.000000982 -0.000034857 0.000005611 -0.000012547 0.000029929 0.000017057 0.000017666 0.000043184 0.000012512 0.000018051 -0.000010672 0.000012855 -0.000016775 0.000006231 -0.000038487 0.000011396 -0.000007319 0.000034714 0.000075819 0.000001017 0.000028088 -0.000017535 -0.000058410 -0.000033619 -0.000095132 0.000032455 -0.000029645 -0.000005155 0.000011074 -0.000049232 0.000014469 0.000009395 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0.000008983 0.000008045 0.000000709 0.000022477 -0.000012792 -0.000003545 -0.000017644 0.000005001 0.000002436 -0.000007168 0.000014717 0.000001526 -0.000000011 0.000009969 0.000007079 -0.000003025 326.2435999999998 AuxInfo=1/0/N:26,24,22,12,14,23,21,11,19,17,16,25,10,13,18,15,8,20,9,7,6,5,3,4,2,1/CRV:1.3,2.3,3.3,7.3,11.3,12.3,14.3,15.3,18.3,25.1/rA:49OO1NNNCCCCCCCC3CCC3CC3CC3C3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s4s6;s3s6;s7;s9;s8s10;s6;s6;s3s12;s1s9;s10;s3s16;s4s13;s15;s2s4s19;s13;s16;s1s22;s18;s5s21;s24s25;s7;s8;s9;s10;s11;s11;s12;s12;s14;s14;s15;s17;s17;s19;s19;s21;s22;s23;s23;s24;s26;s5;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2035 CBGUSER 000102382 EM64L-G09RevD.01 27-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 141 C1[X(C21H23N3O2)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 326.2435999999998 0 1 AuxInfo=1/0/N:26,24,22,12,14,23,21,11,19,17,16,25,10,13,18,15,8,20,9,7,6,5,3,4,2,1/CRV:1.3,2.3,3.3,7.3,11.3,12.3,14.3,15.3,18.3,25.1/rA:49OO1NNNCCCCCCCC3CCC3CC3CC3C3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s4s6;s3s6;s7;s9;s8s10;s6;s6;s3s12;s1s9;s10;s3s16;s4s13;s15;s2s4s19;s13;s16;s1s22;s18;s5s21;s24s25;s7;s8;s9;s10;s11;s11;s12;s12;s14;s14;s15;s17;s17;s19;s19;s21;s22;s23;s23;s24;s26;s5;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-17198.inp" -scrdir="/scratch/" chk=000102382-Freq.chk nprocshared=4 mem=7GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000102382 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 16 16 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 15.9949146 15.9949146 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 0 0 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 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 /mnt/data/applications/G09/g09/l101.exe) Initialization pass. 3.00e-01 1.00e-07 1.00e-07 2 2 Search for a local minimum. |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000282 0.000055 0.015265 0.003166 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.802049e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2494.8089840748 306 716 306 93 93 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 49 49 49 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 326.2435999999998 AuxInfo=1/0/N:26,24,22,12,14,23,21,11,19,17,16,25,10,13,18,15,8,20,9,7,6,5,3,4,2,1/CRV:1.3,2.3,3.3,7.3,11.3,12.3,14.3,15.3,18.3,25.1/rA:49OO1NNNCCCCCCCC3CCC3CC3CC3C3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s4s6;s3s6;s7;s9;s8s10;s6;s6;s3s12;s1s9;s10;s3s16;s4s13;s15;s2s4s19;s13;s16;s1s22;s18;s5s21;s24s25;s7;s8;s9;s10;s11;s11;s12;s12;s14;s14;s15;s17;s17;s19;s19;s21;s22;s23;s23;s24;s26;s5;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.902554 0.000000 5.281752 6.832521 0.000000 4.297470 2.335592 4.561219 0.000000 9.360558 6.753478 6.965877 5.646294 0.000000 5.043402 4.772675 2.443191 2.451926 5.093653 0.000000 3.716097 3.685906 3.153107 1.495875 6.106353 1.556209 0.000000 5.153245 6.019323 1.513146 3.773598 5.717566 1.573201 2.587002 0.000000 2.485726 3.979389 3.548181 2.408937 6.951644 2.666949 1.542780 2.953662 0.000000 2.901885 5.492270 2.918391 3.792644 7.441829 3.083531 2.612138 2.517105 1.536978 0.000000 4.401843 6.008105 2.504681 4.066435 6.368465 2.623870 2.959620 1.539571 2.482599 1.546090 0.000000 5.950231 5.675134 2.403837 3.410871 5.655814 1.564013 2.552396 2.400987 3.860906 4.174304 3.802898 0.000000 5.880886 4.330948 3.864273 2.344244 3.727466 1.523658 2.396786 2.694892 3.440375 4.113463 3.469715 2.568512 0.000000 5.622449 6.553691 1.491927 4.303684 7.024239 2.439069 3.041930 2.451206 3.940636 3.830732 3.689354 1.545752 3.834938 0.000000 1.469209 3.796206 4.550334 2.899254 8.190962 3.850011 2.385479 4.312162 1.540756 2.619560 3.914536 4.723333 4.629205 4.646120 0.000000 3.133833 6.380590 2.525541 4.590266 8.457224 3.628368 3.192636 2.968750 2.520280 1.525472 2.547788 4.192383 4.978498 3.317591 3.006956 0.000000 4.641659 7.305413 1.496011 5.224327 8.263591 3.560529 3.732592 2.560279 3.579861 2.556262 2.722376 3.710808 5.015022 2.527936 4.306465 1.531236 0.000000 5.541171 2.973144 4.845060 1.435387 4.227653 2.419066 2.375611 3.777292 3.359597 4.478104 4.249672 3.416388 1.424399 4.654143 4.213659 5.424747 5.795470 0.000000 2.520806 2.457726 5.710944 2.540961 8.017581 4.404921 2.884423 5.245099 2.485335 3.893159 4.949492 5.314618 4.738856 5.611350 1.547442 4.508024 5.716180 3.874128 0.000000 3.883693 1.269663 5.655754 1.399324 6.678736 3.774399 2.509213 4.943100 2.783004 4.315714 4.931274 4.709449 3.671335 5.425863 2.634347 5.125678 6.056648 2.535969 1.564043 0.000000 7.177171 5.391626 4.603142 3.666777 2.454611 2.643777 3.776917 3.369736 4.707301 5.162345 4.183787 3.362523 1.402725 4.672295 5.986619 6.060174 5.882404 2.453556 6.072914 4.922104 0.000000 2.599588 6.606039 3.694220 5.137967 9.601400 4.669704 3.882798 4.263619 3.102537 2.515505 3.827478 5.107674 5.998337 4.156422 2.879987 1.362979 2.572961 6.211032 4.409217 5.372536 7.193108 0.000000 1.492509 6.186963 5.008130 5.242424 10.161239 5.446301 4.314485 5.280379 3.240642 3.085003 4.610981 6.093018 6.564959 5.388969 2.444913 2.599205 4.026227 6.469379 3.778821 5.071514 7.840689 1.533518 0.000000 6.617351 3.033015 6.194522 2.565813 3.750890 3.756574 3.754702 5.046950 4.595290 5.745720 5.447112 4.636798 2.466181 5.983095 5.339680 6.789812 7.182285 1.409128 4.687658 3.180878 2.860421 7.550084 7.683424 0.000000 8.049792 5.433181 6.014818 4.248025 1.399673 3.909787 4.777080 4.750330 5.663842 6.299096 5.394130 4.607829 2.446065 6.010215 6.839626 7.318095 7.262224 2.828040 6.634786 5.293942 1.428453 8.390811 8.883509 2.476899 0.000000 7.786678 4.410918 6.669968 3.801061 2.452976 4.319193 4.745546 5.422964 5.597037 6.526988 5.913137 5.109148 2.813826 6.543320 6.545613 7.610338 7.803790 2.422737 6.028200 4.560773 2.461098 8.524413 8.793695 1.411776 1.426276 0.000000 3.734825 4.083708 3.176897 2.129516 6.916693 2.175694 1.106760 3.129306 2.167410 3.090373 3.671245 2.485631 3.222175 2.669565 2.398456 3.151664 3.629388 3.170372 3.010192 2.897335 4.574353 3.578320 4.086937 4.503004 5.597039 5.544756 0.000000 6.211628 6.709351 2.154457 4.486964 5.150309 2.184308 3.506947 1.109871 3.956518 3.484682 2.179077 2.783348 2.838900 3.037949 5.373771 3.972129 3.328490 4.151204 6.209439 5.738649 3.019375 5.301414 6.351714 5.252509 4.406585 5.335590 4.096164 0.000000 2.914720 3.602864 4.339974 2.425103 6.548571 3.086857 2.157329 3.415449 1.109392 2.128425 2.715594 4.499917 3.389509 4.824780 2.168350 3.442490 4.472645 3.127497 2.555690 2.615207 4.531181 4.047388 3.959972 4.144902 5.287758 5.108602 3.030259 4.241275 0.000000 2.696545 5.846757 3.928475 4.487582 8.080728 4.096362 3.519400 3.483643 2.142587 1.106372 2.187243 5.268402 4.949873 4.917120 2.922962 2.161824 3.341892 5.188926 4.128498 4.757639 5.937633 2.787402 2.954981 6.341513 6.971154 7.128636 4.030542 4.335064 2.354737 0.000000 5.041182 7.090910 2.792091 5.171452 6.977055 3.565659 4.021801 2.176965 3.464594 2.203108 1.105879 4.546538 4.414516 4.202148 4.789149 2.850931 2.738376 5.304739 5.932829 6.015329 4.928201 4.128480 5.026105 6.461310 6.152444 6.808370 4.633113 2.480928 3.690807 2.533965 0.000000 4.712113 5.659202 3.460947 3.931676 5.737976 2.868561 3.193090 2.174644 2.684080 2.188912 1.106561 4.279955 3.209725 4.505027 4.188651 3.501993 3.824431 3.884792 4.941983 4.737077 3.774347 4.678897 5.212351 4.894170 4.798756 5.264483 4.125739 2.519815 2.450967 2.530087 1.778406 0.000000 6.126947 5.293924 3.365925 3.240967 5.913003 2.229966 2.728569 3.400881 4.207032 4.824769 4.682486 1.103741 2.905970 2.223315 4.787833 4.811497 4.515226 3.352925 5.140354 4.434775 3.780389 5.517544 6.351559 4.460593 4.805021 5.066059 2.408749 3.840503 4.841848 5.898903 5.517462 5.085813 0.000000 6.962701 6.426239 2.854254 4.199297 5.144267 2.192166 3.497785 2.744125 4.760566 4.940181 4.260042 1.105402 2.765078 2.198280 5.756186 5.018931 4.312428 3.854180 6.305561 5.563494 3.075016 6.042117 7.098979 4.892087 4.310748 5.061678 3.572643 2.672150 5.277623 6.011561 4.867932 4.648569 1.787389 0.000000 6.615631 7.552634 2.158262 5.319849 7.536566 3.403088 4.126247 3.292376 5.039263 4.825570 4.586955 2.212189 4.675607 1.106605 5.690500 4.149102 3.083879 5.574024 6.659621 6.458345 5.320742 4.911407 6.238564 6.840203 6.648806 7.289197 3.684237 3.624944 5.925289 5.886002 4.934185 5.431328 2.751167 2.448346 0.000000 4.997647 6.253323 2.163254 4.178640 7.767526 2.904377 2.916055 3.125524 3.714433 3.771126 4.072555 2.198450 4.327255 1.115589 4.053824 3.034384 2.617556 4.849397 5.052335 5.087465 5.374544 3.535814 4.679867 6.205197 6.640471 6.970148 2.191604 3.930732 4.725295 4.809664 4.661099 4.915029 2.449515 3.094526 1.788900 0.000000 2.087049 4.290409 4.278819 3.182293 8.534327 3.859476 2.458733 4.376080 2.167329 3.031135 4.287205 4.367250 4.849357 4.105614 1.110111 2.896126 4.017662 4.535630 2.179777 3.107620 6.234890 2.582130 2.445201 5.743895 7.178990 6.949103 1.962266 5.467949 3.058624 3.555595 5.123451 4.767554 4.321242 5.457976 5.063717 3.317154 0.000000 5.113978 7.911819 2.115327 5.860512 9.065035 4.271272 4.374780 3.470239 4.363342 3.503899 3.816058 4.061122 5.780277 2.615704 4.814962 2.192064 1.104974 6.519287 6.234126 6.652892 6.670153 2.734068 4.263655 7.922529 8.060003 8.586292 4.004026 4.184056 5.352168 4.251511 3.818505 4.912338 4.730742 4.666985 2.866937 2.486291 4.294606 0.000000 5.242293 8.103995 2.125520 6.036550 8.558352 4.249687 4.579082 2.938541 4.246501 2.941660 2.807856 4.516042 5.589715 3.413197 5.096459 2.166181 1.108980 6.482149 6.526219 6.875598 6.287827 3.195235 4.583846 7.824698 7.670683 8.327795 4.635867 3.453990 4.986136 3.484128 2.374829 3.879802 5.427636 4.942806 3.820002 3.677199 4.953992 1.773625 0.000000 2.993419 2.778728 6.381714 3.246198 8.817138 5.168900 3.632918 6.092265 3.435293 4.782195 5.914785 5.848138 5.545843 6.087203 2.215698 5.147914 6.338256 4.610222 1.104863 2.180575 6.897438 4.818342 4.075091 5.341231 7.422549 6.731854 3.460855 7.082451 3.645510 5.036641 6.883935 5.992779 5.503352 6.877188 7.065580 5.379737 2.422844 6.700200 7.224340 0.000000 2.610748 2.645912 6.428003 3.238778 8.328293 5.114231 3.677945 5.820865 2.950256 4.220215 5.271282 6.199529 5.295946 6.510066 2.174995 5.032076 6.347585 4.383942 1.106745 2.131768 6.540855 4.918824 4.062024 5.012503 6.987768 6.308122 3.994276 6.740622 2.658898 4.182760 6.196113 5.100991 6.110175 7.142356 7.585837 6.013135 3.056254 6.954702 7.038218 1.770428 0.000000 7.675499 6.407814 4.355052 4.520798 2.695972 2.934856 4.324089 3.212499 5.192817 5.351144 4.153969 3.423247 2.177062 4.561519 6.561774 6.127304 5.699416 3.452257 6.855309 5.832052 1.097408 7.358160 8.176320 3.957775 2.192211 3.457185 5.052430 2.530929 5.122195 6.148716 4.692822 3.866286 4.055184 2.865783 5.053633 5.434430 6.746581 6.470118 5.969120 7.698429 7.346896 0.000000 3.506805 7.446755 4.024734 5.945288 10.371085 5.336725 4.653979 4.904953 4.099769 3.514311 4.673961 5.488852 6.754811 4.317167 3.774951 2.127117 2.798180 7.025664 5.246973 6.213248 7.930026 1.101111 2.215863 8.391324 9.178192 9.358692 4.150308 5.894425 5.097592 3.834964 4.865428 5.614207 5.852262 6.396037 4.866065 3.599916 3.229114 2.510815 3.408033 5.496430 5.835945 8.025492 0.000000 2.059013 6.954383 5.673802 6.112080 10.816908 6.252452 5.202363 5.898106 3.953047 3.535054 5.002443 6.996606 7.332312 6.249048 3.320508 3.154163 4.546667 7.275038 4.563784 5.893732 8.545976 2.189156 1.107419 8.451771 9.580412 9.518652 5.099641 6.912703 4.498817 3.073704 5.236879 5.553448 7.343104 7.954857 7.073573 5.623196 3.511424 4.825025 4.872677 4.907236 4.622025 8.838258 2.757661 0.000000 2.117725 6.459182 5.643420 5.688987 10.877358 6.071019 4.852730 6.064663 4.005825 4.064294 5.574651 6.527703 7.209124 5.780941 2.904920 3.403493 4.684318 7.013438 4.023893 5.399646 8.538671 2.151958 1.111905 8.207625 9.561418 9.393992 4.405610 7.158721 4.774264 4.045199 6.030381 6.202067 6.633764 7.579398 6.552232 4.910993 2.595686 4.696498 5.344669 4.015617 4.399585 8.914239 2.374176 1.789845 0.000000 6.704185 2.420090 7.007517 2.862911 4.640520 4.589163 4.270285 5.922043 4.989304 6.292600 6.205451 5.442054 3.453755 6.731125 5.464139 7.334729 7.886469 2.172960 4.522396 2.991559 3.952245 7.943124 7.884889 1.091912 3.471781 2.190127 4.920263 6.235105 4.482987 6.800648 7.252233 5.645983 5.124949 5.805980 7.616955 6.806583 5.905529 8.593489 8.580805 5.040918 4.749075 5.049601 8.794512 8.652774 8.324427 0.000000 8.668897 4.907549 7.764936 4.718541 2.682896 5.414494 5.777399 6.505781 6.576788 7.545224 6.942418 6.163859 3.910755 7.619763 7.452861 8.668991 8.895603 3.417008 6.790717 5.291782 3.452800 9.555309 9.748457 2.169859 2.182956 1.096950 6.557890 6.378978 6.010260 8.087154 7.817464 6.228752 6.055780 6.074254 8.342665 8.032878 7.892896 9.681828 9.407181 7.441095 6.981524 4.361149 10.405702 10.456114 10.332440 2.518031 0.000000 9.730260 7.535204 6.830634 6.201195 1.015126 5.250035 6.444649 5.643478 7.274005 7.573892 6.357825 5.704144 4.062711 6.972830 8.600094 8.514898 8.158220 4.834828 8.590763 7.332850 2.670572 9.730573 10.416054 4.580562 2.110190 3.377347 7.231827 4.908923 6.946066 8.233510 6.832113 5.797860 6.094451 5.045291 7.381830 7.822989 8.900660 8.945886 8.357232 9.421293 8.935637 2.479482 10.454556 11.044061 11.166936 5.537466 3.695444 0.000000 10.052275 7.064687 7.944470 6.254108 1.015187 5.982169 6.879438 6.678037 7.703305 8.282428 7.262305 6.556051 4.548649 7.964819 8.879507 9.351113 9.226200 4.819991 8.563927 7.161110 3.377351 10.460466 10.937456 4.070410 2.107180 2.664732 7.693848 6.146174 7.220065 8.873725 7.890492 6.565904 6.720135 6.072858 8.487145 8.665717 9.263487 10.033507 9.534365 9.331571 8.811745 3.708146 11.256322 11.589491 11.638825 4.791861 2.460592 1.743178 0.000000 C21H23N3O2 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 0 326.2435999999998 AuxInfo=1/0/N:26,24,22,12,14,23,21,11,19,17,16,25,10,13,18,15,8,20,9,7,6,5,3,4,2,1/CRV:1.3,2.3,3.3,7.3,11.3,12.3,14.3,15.3,18.3,25.1/rA:49OO1NNNCCCCCCCC3CCC3CC3CC3C3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s4s6;s3s6;s7;s9;s8s10;s6;s6;s3s12;s1s9;s10;s3s16;s4s13;s15;s2s4s19;s13;s16;s1s22;s18;s5s21;s24s25;s7;s8;s9;s10;s11;s11;s12;s12;s14;s14;s15;s17;s17;s19;s19;s21;s22;s23;s23;s24;s26;s5;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3570707 0.1874728 0.1397643 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 20503 NPrTT= 104811 LenC2= 18392 LenP2D= 58850. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 306 RedAO= T EigKep= 3.45D-04 NBF= 306 NBsUse= 306 1.00D-06 EigRej= -1.00D+00 NBFU= 306 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 299 299 299 299 299 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 0 1 -1126.84161463006 -1126.79171086504 0.049903765018 -1127.05386369255 -0.262152827514 -1127.12651187943 -0.072648186878 -1127.22915322729 -0.102641347862 -1127.23221132997 -0.003058102679 -1127.23327685868 -0.001065528707 -1127.23351325924 -0.000236400557 -1127.23352692568 -0.000013666446 -1127.23353599384 -0.000009068161 -1127.23354513553 -0.000009141692 -1127.23354359497 0.000001540565 -1127.23354547305 -0.000001878079 -1127.23354552733 -0.000000054282 -1127.23354553062 -0.000000003295 -1127.23354553117 -0.000000000543 -1127.23354553126 -0.000000000090 -1127.23354553121 0.000000000047 -1127.23354553 18 1.121658026513e+03 -7.614702364750e+03 2.871001808631e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 303736 IEndB= 303736 NGot= 939524096 MDV= 939330943 LenX= 939330943 LenY= 939236866 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. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 49. Will process 50 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 939523296 using IRadAn= 2. Generate precomputed XC quadrature information. Solving linear equations simultaneously, MaxMat= 0. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 810000000 NMat= 150 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 150 NMatS0= 150 NMatT0= 0 NMatD0= 150 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 150 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 147 vectors produced by pass 0 Test12= 1.98D-14 1.00D-09 XBig12= 5.45D+02 1.32D+01. AX will form 147 AO Fock derivatives at one time. 147 vectors produced by pass 1 Test12= 1.98D-14 1.00D-09 XBig12= 1.61D+02 1.75D+00. 147 vectors produced by pass 2 Test12= 1.98D-14 1.00D-09 XBig12= 5.21D-01 4.13D-02. 147 vectors produced by pass 3 Test12= 1.98D-14 1.00D-09 XBig12= 3.38D-04 1.55D-03. 98 vectors produced by pass 4 Test12= 1.98D-14 1.00D-09 XBig12= 6.25D-08 2.34D-05. 8 vectors produced by pass 5 Test12= 1.98D-14 1.00D-09 XBig12= 5.05D-12 1.17D-07. 3 vectors produced by pass 6 Test12= 1.98D-14 1.00D-09 XBig12= 3.72D-15 5.05D-09. InvSVY: IOpt=1 It= 1 EMax= 1.24D-14 Solved reduced A of dimension 697 with 150 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 245.89 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 323.422 -15.451 252.797 -18.491 5.858 161.448 539.886 -46.304 510.663 -55.707 25.333 294.678 (Enter /mnt/data/applications/G09/g09/l716.exe) PT12318S 2017-07-27T01:55:22.000+02:00 -18.76277 -18.72420 -14.03446 -14.00522 -13.98912 -9.99451 -9.95174 -9.95169 -9.94767 -9.94245 -9.93492 -9.93176 -9.93023 -9.92642 -9.92309 -9.91372 -9.91052 -9.91007 -9.90669 -9.90616 -9.90501 -9.90176 -9.90130 -9.89975 -9.89605 -9.89561 -0.94018 -0.92947 -0.87769 -0.85106 -0.83678 -0.77091 -0.75610 -0.74635 -0.72358 -0.70111 -0.67750 -0.66873 -0.65766 -0.65002 -0.63386 -0.60106 -0.58263 -0.57351 -0.56034 -0.54995 -0.52990 -0.51494 -0.50955 -0.49932 -0.47491 -0.46905 -0.45779 -0.45005 -0.44871 -0.43852 -0.42671 -0.41846 -0.41093 -0.40623 -0.39741 -0.39303 -0.39034 -0.38860 -0.38128 -0.36870 -0.36640 -0.35835 -0.35504 -0.34905 -0.34774 -0.34542 -0.33945 -0.33158 -0.32991 -0.32559 -0.32397 -0.31608 -0.30759 -0.30371 -0.29121 -0.28938 -0.28517 -0.27655 -0.27041 -0.25931 -0.22706 -0.21810 -0.21086 -0.20071 -0.19280 -0.16130 -0.15375 -0.03651 -0.03476 -0.03247 0.00781 0.04692 0.05710 0.06376 0.06985 0.07831 0.08383 0.08603 0.09295 0.09677 0.10140 0.10310 0.10731 0.10785 0.11482 0.12371 0.12754 0.13144 0.13870 0.14194 0.14387 0.14597 0.14803 0.15259 0.15824 0.15972 0.16664 0.17035 0.17346 0.17489 0.18381 0.18679 0.19261 0.19599 0.19840 0.20452 0.20619 0.21414 0.21758 0.22093 0.22651 0.22750 0.24084 0.24312 0.24775 0.25357 0.25988 0.26287 0.27103 0.27751 0.28145 0.28885 0.29078 0.29178 0.29794 0.30029 0.30653 0.31618 0.32026 0.33091 0.33293 0.33478 0.34221 0.34949 0.35198 0.35812 0.35951 0.36432 0.36550 0.37031 0.37587 0.38057 0.38625 0.39198 0.39420 0.40364 0.40385 0.40766 0.41437 0.41928 0.42639 0.43324 0.43589 0.43786 0.44504 0.45272 0.45819 0.46130 0.47411 0.47963 0.48394 0.48604 0.49195 0.49635 0.50443 0.51097 0.52357 0.53512 0.54335 0.55792 0.56095 0.56908 0.57908 0.58376 0.59506 0.60557 0.61149 0.61766 0.62440 0.63761 0.65584 0.65897 0.68223 0.69323 0.71063 0.72040 0.72989 0.74481 0.75461 0.76307 0.78074 0.79643 0.80639 0.82222 0.83366 0.83758 0.85162 0.86951 0.87301 0.88020 0.88321 0.89513 0.90259 0.90862 0.91588 0.92585 0.94929 0.96187 0.97444 0.98267 0.98633 0.99336 1.00984 1.01473 1.01937 1.02612 1.03496 1.05651 1.06453 1.07365 1.08602 1.10065 1.10607 1.11808 1.12374 1.13531 1.13690 1.15415 1.16789 1.17177 1.18722 1.19575 1.22420 1.22639 1.23941 1.25707 1.25973 1.26966 1.30387 1.33116 1.36765 1.38946 1.40726 1.42053 1.43674 1.46872 1.48569 1.49694 1.52528 1.57390 1.66704 1.68687 1.71708 1.79793 22.34324 22.41407 22.47626 22.53490 22.55034 22.56792 22.57591 22.58738 22.60730 22.63047 22.65940 22.67167 22.67856 22.69591 22.69662 22.71095 22.71622 22.73705 22.74864 22.77455 22.81694 31.49649 31.56479 31.57685 41.57187 41.58394 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 O O 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 -0.258571 -0.258523 -0.053459 -0.209801 -0.715984 0.219154 -0.276842 -0.219392 -0.135437 -0.282522 -0.508166 -0.537397 0.298417 -0.401548 -0.064979 0.500822 -0.648737 0.198899 -0.562053 0.089371 -0.684708 -0.487619 -0.364607 -0.321788 0.551109 -0.452038 0.252342 0.232516 0.283685 0.259989 0.216422 0.233170 0.249596 0.231285 0.228627 0.190020 0.218342 0.235875 0.232115 0.245903 0.260676 0.230803 0.219746 0.235394 0.206096 0.295961 0.218625 0.303360 0.305853 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 O O N N N C C C C C C C C C C C C C C C C C C C C C -0.258571 -0.258523 -0.053459 -0.209801 -0.106771 0.219154 -0.024500 0.013124 0.148248 -0.022533 -0.058574 -0.056516 0.298417 0.017099 0.153363 0.500822 -0.180747 0.198899 -0.055474 0.089371 -0.453906 -0.267873 0.076883 -0.025827 0.551109 -0.233414 0.00000 1.29031274e-02 -2.13052343e+00 -7.62501316e-02 3.23421570e+02 -1.54512285e+01 2.52797460e+02 -1.84909970e+01 5.85815936e+00 1.61447886e+02 -0.0007 -0.0007 0.0004 6.6817 7.8766 11.0367 47.2806 79.6714 89.3556 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 47.2487 79.6660 89.3313 101.7941 128.8409 141.2591 183.8465 201.1196 209.5784 233.0224 260.3244 275.8034 285.2656 298.9621 322.8873 330.5041 339.0803 349.9534 350.5927 362.1170 379.6385 396.5093 403.5814 429.5933 441.7294 464.0323 469.6765 475.0546 492.4411 526.4328 539.4212 560.7019 586.4550 612.3549 617.2229 624.1601 647.2973 664.6799 673.6016 712.1477 733.1119 742.9110 765.8580 772.1286 810.2103 824.6527 834.5028 840.0420 850.6070 858.1945 868.2944 886.5860 917.7343 924.2987 939.7421 953.9547 963.2736 969.8190 982.8662 987.9404 998.1701 1018.0222 1026.1208 1033.7516 1043.3670 1057.5849 1069.6454 1077.5061 1089.5492 1100.3002 1110.5747 1116.1133 1123.7195 1135.7044 1155.4195 1162.4018 1171.9203 1176.4476 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