Gaussian 09 GINC-KIMIK2121 CBGUSER 000161953 EM64L-G09RevD.01 4-Sep-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 288.2121999999998 0 1 AuxInfo=1/0/N:23,19,20,15,16,11,13,12,9,14,21,18,7,6,17,8,22,10,5,4,3,2,1/E:(2,3)/CRV:10.3,11.3,12.3,15.3,17.3,21.1/rA:49OOO1CCCCCCCCCCC3CCC3C3CCC3C3CHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s1;;s4s5;s5;s1s4;s4;s7;s7s9;s5;s10;s6;s5;s12s13;s8;s2s14s17;s10;s10;s17;s2s3s21;s21;s6;s7;s8;s9;s9;s11;s11;s12;s12;s13;s13;s14;s15;s15;s15;s16;s16;s19;s19;s19;s20;s20;s20;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-14889.inp" -scrdir="/scratch/" chk=000161953.chk nprocshared=8 mem=21GB #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 000161953 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 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 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 1 1 2 2 3 4 4 4 5 5 5 5 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 12 13 13 13 14 14 15 15 15 16 16 17 17 19 19 19 20 20 20 21 21 23 23 23 4 8 18 22 22 6 8 9 6 7 12 15 14 24 10 11 25 17 26 11 27 28 13 19 20 29 30 16 31 32 16 33 34 18 35 36 37 38 39 40 18 21 41 42 43 44 45 46 22 23 47 48 49 1.4442 1.4336 1.3812 1.3737 1.2213 1.5384 1.5283 1.504 1.5947 1.5766 1.5538 1.5524 1.5281 1.0995 1.5739 1.5399 1.103 1.4586 1.0846 1.5209 1.098 1.0968 1.5471 1.5535 1.5413 1.0947 1.0941 1.5246 1.0962 1.0983 1.521 1.0987 1.0976 1.3396 1.086 1.0938 1.0872 1.096 1.0967 1.0946 1.4251 1.3282 1.0958 1.0968 1.0944 1.0942 1.0973 1.0892 1.4735 1.4792 1.0942 1.0946 1.0945 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 18 1 1 6 6 8 6 6 6 7 7 12 4 4 4 5 5 14 5 5 5 10 10 11 1 1 4 4 17 4 4 4 11 11 27 7 7 7 13 13 19 7 7 7 9 9 29 5 5 5 16 16 31 10 10 10 16 16 33 6 6 18 5 5 5 36 36 37 12 12 12 13 13 39 8 8 18 2 2 14 10 10 10 41 41 42 10 10 10 44 44 45 17 17 22 2 2 3 21 21 21 47 47 48 2 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 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 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 23 23 23 22 6 9 8 9 9 7 12 15 12 15 15 5 14 24 14 24 24 10 11 25 11 25 25 17 26 17 26 26 11 27 28 27 28 28 13 19 20 19 20 20 9 29 30 29 30 30 16 31 32 31 32 32 16 33 34 33 34 34 18 35 35 36 37 38 37 38 38 13 39 40 39 40 40 18 21 21 14 17 17 41 42 43 42 43 43 44 45 46 45 46 46 22 23 23 3 21 21 47 48 49 48 49 49 104.1145 113.5284 108.7896 118.9648 118.0449 121.4895 107.9668 109.5515 108.733 108.6618 113.3415 108.5423 110.6197 113.9919 106.1819 111.3396 107.9834 106.3252 117.2929 110.1945 104.5502 113.8691 103.8505 105.7361 118.9452 117.095 118.6732 116.905 115.203 113.3752 108.5448 110.5909 108.7592 108.9268 106.3918 109.8503 109.3707 114.7413 106.5386 109.8936 106.0716 110.6746 111.1086 111.2423 109.8641 107.5946 106.2031 113.7375 110.7976 109.3948 107.8644 108.4342 106.3193 113.7589 109.3972 110.2885 108.0007 109.0815 106.0002 122.7115 118.1383 119.0755 112.4642 113.0733 111.2789 107.3947 106.7881 105.3821 111.2332 108.9013 110.7529 108.9194 110.7234 106.1476 118.9468 132.102 108.7119 124.439 110.9429 124.5987 111.3988 110.9944 112.073 107.2763 107.9262 106.931 111.9427 110.5272 113.2674 106.7289 108.3045 105.6769 105.1871 131.3428 123.3942 124.5541 110.9147 124.5222 111.8554 110.5118 110.3686 107.7677 107.8614 108.351 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 22 22 18 18 1 1 1 8 8 8 9 9 9 6 6 9 9 1 1 1 6 6 6 8 8 8 7 7 7 12 12 12 15 15 15 6 6 6 12 12 12 15 15 15 6 6 6 7 7 7 15 15 15 6 6 6 7 7 7 12 12 12 4 4 5 5 24 24 5 5 5 11 11 11 25 25 25 5 5 5 10 10 10 25 25 25 1 1 4 4 26 26 4 4 4 27 27 27 28 28 28 7 7 7 19 19 19 20 20 20 7 7 7 13 13 13 20 20 20 7 7 7 13 13 13 19 19 19 5 5 5 31 31 31 32 32 32 10 10 10 33 33 33 34 34 34 6 6 35 35 8 8 21 21 8 8 18 18 17 17 23 23 17 17 17 22 22 22 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 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 13 14 14 14 14 17 17 17 17 17 17 17 17 21 21 21 21 21 21 21 21 21 21 18 18 22 22 6 6 6 6 6 6 6 6 6 8 8 8 8 9 9 9 9 9 9 9 9 9 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 14 14 14 14 14 14 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 17 17 17 17 17 17 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 21 21 21 21 22 22 22 22 23 23 23 23 23 23 14 17 3 21 5 14 24 5 14 24 5 14 24 17 26 17 26 11 27 28 11 27 28 11 27 28 4 14 24 4 14 24 4 14 24 10 11 25 10 11 25 10 11 25 16 31 32 16 31 32 16 31 32 36 37 38 36 37 38 36 37 38 18 35 18 35 18 35 13 19 20 13 19 20 13 19 20 9 29 30 9 29 30 9 29 30 18 21 18 21 18 21 7 29 30 7 29 30 7 29 30 16 33 34 16 33 34 16 33 34 41 42 43 41 42 43 41 42 43 44 45 46 44 45 46 44 45 46 13 39 40 13 39 40 13 39 40 12 39 40 12 39 40 12 39 40 2 17 2 17 2 14 2 14 22 23 22 23 2 3 2 3 47 48 49 47 48 49 -174.7888 3.6698 177.8655 -3.1861 -174.3748 59.2527 -57.4597 120.9164 -5.4562 -122.1686 -45.3258 -171.6983 71.5893 -7.1829 -152.4445 158.5677 13.3061 175.6894 54.7233 -61.6364 44.4641 -76.502 167.1383 -121.4128 117.6211 1.2614 52.2432 -179.9198 -63.5544 170.4157 -61.7473 54.6181 -71.1095 56.7275 173.0929 165.4381 -62.1114 51.0932 46.6969 179.1474 -67.648 -74.0544 58.3961 171.6007 -169.4106 68.8875 -48.0087 -51.6715 -173.3734 69.7304 71.9964 -49.7055 -166.6017 54.6913 176.5458 -65.0742 -65.3812 56.4733 174.8534 173.8 -64.3455 54.0346 11.7743 -171.4024 -114.2208 62.6024 128.4035 -54.7732 -46.0952 -162.6933 78.286 -176.8712 66.5307 -52.49 68.6376 -47.9605 -166.9812 61.6293 -60.7131 -178.8112 -164.1817 73.4759 -44.6222 -50.8126 -173.1551 68.7469 -52.6352 121.0387 14.8613 -171.4648 160.6937 -25.6323 -50.9375 72.1291 -172.6679 69.9077 -167.0258 -51.8228 -174.5275 -51.461 63.742 49.8736 -70.9874 172.7987 168.2363 47.3754 -68.8385 -77.2716 161.8674 45.6535 52.0311 171.5052 -69.0087 -66.6461 52.828 172.3141 176.2925 -64.2335 55.2526 51.5882 170.4178 -71.2179 175.9467 -65.2238 53.1405 -69.2635 49.5661 167.9304 58.4542 178.5016 -65.1324 -178.2291 -58.1817 58.1843 -63.4814 56.566 172.9321 -57.1769 -177.2136 66.4264 64.4629 -55.5738 -171.9338 179.2393 59.2027 -57.1573 173.5193 -4.7319 -3.2755 178.4733 172.1762 -9.3681 -2.8722 175.5836 -173.3931 3.4407 0.764 177.5977 1.558 -179.4932 -175.5951 3.3537 -0.6566 -120.7296 119.4377 175.6829 55.6099 -64.2229 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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= 18145 NPrTT= 91512 LenC2= 16139 LenP2D= 51575. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 282 RedAO= T EigKep= 4.60D-04 NBF= 282 NBsUse= 282 1.00D-06 EigRej= -1.00D+00 NBFU= 282 Using GEDIIS/GDIIS optimizer. local minimum Step number 10 out of a maximum of 294 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00226 0.00241 0.00247 0.00442 0.00497 0.00619 0.00679 0.00963 0.01040 0.01312 0.01540 0.01611 0.01645 0.01729 0.01827 0.01978 0.02123 0.02164 0.02472 0.02524 0.02656 0.03109 0.03611 0.03971 0.04121 0.04181 0.04467 0.04611 0.04758 0.04813 0.04837 0.04914 0.05000 0.05121 0.05236 0.05251 0.05284 0.05342 0.05409 0.05452 0.05531 0.05553 0.05603 0.05673 0.06109 0.06343 0.06982 0.07253 0.07403 0.07510 0.07935 0.08101 0.08118 0.08392 0.08511 0.08654 0.09125 0.10747 0.11243 0.11781 0.12619 0.12916 0.14026 0.14666 0.14895 0.15444 0.15780 0.15899 0.15984 0.16000 0.16000 0.16000 0.16005 0.16010 0.16012 0.16022 0.16043 0.16067 0.16232 0.16621 0.18033 0.18632 0.20025 0.20192 0.21654 0.22080 0.23433 0.24170 0.24832 0.24923 0.25422 0.25541 0.26366 0.26959 0.27272 0.27472 0.27659 0.27809 0.28415 0.28520 0.28979 0.29041 0.29177 0.29611 0.30211 0.31451 0.33384 0.33590 0.33770 0.33835 0.33887 0.33944 0.33973 0.34010 0.34045 0.34049 0.34085 0.34109 0.34146 0.34213 0.34273 0.34293 0.34299 0.34316 0.34319 0.34338 0.34389 0.34596 0.34615 0.34753 0.34996 0.35268 0.35513 0.35750 0.36293 0.38412 0.39666 0.45379 0.55407 0.60764 0.94247 RFO step: Lambda=-1.14238668D-07. 1 2 0.00052349 0.00000017 0.00000015 0.00000006 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 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 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 2.86825 2.89421 2.67460 2.77499 2.34571 2.91501 2.86257 2.88109 3.03613 2.98576 2.94554 2.93288 2.86654 2.10237 2.98530 2.92511 2.11039 2.78308 2.07244 2.91874 2.09581 2.08941 2.94831 2.94381 2.93790 2.08967 2.08799 2.91731 2.09107 2.10063 2.91264 2.09962 2.09489 2.56729 2.06749 2.08617 2.07975 2.08684 2.09229 2.09289 2.75999 2.60345 2.09151 2.09095 2.08810 2.08832 2.09124 2.08376 2.81276 2.83245 2.08371 2.08929 2.09005 1.85571 2.01574 1.93806 2.09798 2.02492 2.09384 1.86308 1.88470 1.90255 1.90426 1.99124 1.91470 1.94729 1.98939 1.85485 1.93769 1.83909 1.88612 2.04459 1.92781 1.82088 1.98269 1.81070 1.85492 1.95336 1.98087 2.06715 2.07530 2.07566 1.98371 1.86557 1.91169 1.89678 1.94225 1.85792 1.90205 1.89578 2.00139 1.86969 1.91974 1.87049 1.93093 1.93140 1.92648 1.92606 1.88847 1.85876 1.97395 1.91603 1.90108 1.91127 1.89204 1.86619 1.98561 1.89406 1.90115 1.89213 1.92668 1.85976 2.11431 2.07203 2.09513 1.96389 1.95028 1.92229 1.87586 1.87196 1.87557 1.93353 1.90779 1.92462 1.91468 1.92949 1.85192 2.05755 2.31708 1.90476 2.18454 1.90966 2.18875 1.94370 1.91769 1.96062 1.87976 1.88738 1.87147 1.95057 1.90945 1.97361 1.87251 1.88323 1.87009 1.87885 2.28698 2.11676 2.11737 1.87484 2.29087 1.95225 1.93022 1.93532 1.89218 1.89427 1.85642 -3.07813 0.04141 3.12666 -0.02944 3.13551 0.92361 -1.15182 1.92274 -0.28916 -2.36459 -0.83535 -3.04725 1.16051 0.07000 -2.68820 2.81298 0.05478 3.13322 1.04067 -0.96549 0.78567 -1.30687 2.97015 -1.97338 2.21726 0.21109 0.96121 -3.08220 -1.04440 3.00668 -1.03672 1.00108 -1.19733 1.04245 3.08026 2.87971 -1.09653 0.89022 0.84721 -3.12903 -1.14228 -1.30085 1.00609 2.99284 -2.93055 1.21236 -0.82560 -0.91188 -3.05216 1.19307 1.28119 -0.85909 -2.89704 1.03227 -3.13861 -1.05532 -1.04815 1.06415 -3.13574 3.09265 -1.07823 1.00506 0.30947 -2.89500 -1.90741 1.17130 2.36703 -0.83744 -0.83380 -2.86517 1.32639 -3.11560 1.13621 -0.95541 1.16137 -0.87000 -2.96162 1.06880 -1.07151 -3.12467 -2.87604 1.26683 -0.78633 -0.89623 -3.03654 1.19348 -1.01026 2.02623 0.14971 -3.09699 2.90783 -0.33887 -0.88097 1.26245 -2.99338 1.19380 -2.94597 -0.91861 -3.04903 -0.90560 1.12175 0.89227 -1.21542 3.04960 2.94025 0.83256 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0.00004 0.00001 0.00002 -0.00001 0.00002 0.00014 0.00005 0.00001 0.00001 -0.00003 0.00002 -0.00001 0.00002 -0.00012 0.00005 -0.00002 0.00004 0.00004 -0.00008 -0.00004 0.00009 0.00005 -0.00008 0.00003 0.00001 0.00003 -0.00013 0.00003 0.00010 -0.00003 0.00006 -0.00004 -0.00005 -0.00007 -0.00008 0.00019 -0.00010 -0.00007 -0.00003 0.00007 -0.00001 0.00016 -0.00007 -0.00011 0.00003 0.00012 -0.00006 -0.00005 -0.00001 -0.00002 0.00008 0.00004 -0.00003 -0.00002 0.00017 -0.00008 -0.00013 -0.00007 0.00013 0.00013 -0.00012 0.00007 -0.00001 -0.00010 0.00002 -0.00017 0.00006 -0.00003 0.00001 0.00005 0.00010 0.00001 -0.00005 -0.00002 -0.00002 0.00005 0.00003 0.00002 -0.00003 0.00000 -0.00008 0.00000 -0.00008 0.00003 -0.00004 0.00019 -0.00014 0.00006 -0.00003 0.00007 0.00001 0.00004 -0.00013 0.00014 0.00001 -0.00002 -0.00002 0.00004 -0.00006 -0.00002 0.00007 0.00000 0.00006 -0.00006 -0.00001 -0.00003 -0.00009 0.00004 -0.00001 0.00012 0.00009 0.00002 -0.00011 -0.00025 -0.00001 0.00026 0.00005 -0.00001 -0.00004 0.00007 0.00007 -0.00014 0.00011 0.00009 -0.00002 0.00001 -0.00018 -0.00009 -0.00027 -0.00016 -0.00007 -0.00025 -0.00018 -0.00009 -0.00027 -0.00001 -0.00025 -0.00001 -0.00026 -0.00002 -0.00008 -0.00003 0.00002 -0.00003 0.00002 0.00000 -0.00005 0.00000 0.00016 0.00009 0.00024 0.00021 0.00014 0.00029 0.00011 0.00004 0.00019 0.00016 0.00010 0.00024 0.00011 0.00005 0.00019 0.00007 0.00001 0.00015 -0.00042 -0.00036 -0.00050 -0.00039 -0.00032 -0.00046 -0.00027 -0.00021 -0.00034 -0.00076 -0.00079 -0.00061 -0.00075 -0.00077 -0.00059 -0.00082 -0.00085 -0.00067 0.00011 0.00007 0.00013 0.00009 0.00015 0.00011 0.00012 0.00020 -0.00004 0.00026 0.00033 0.00009 0.00003 0.00011 -0.00013 -0.00014 -0.00013 -0.00013 -0.00028 -0.00027 -0.00027 -0.00016 -0.00015 -0.00015 -0.00001 0.00022 0.00004 0.00027 0.00032 0.00056 0.00004 -0.00002 -0.00006 0.00005 -0.00002 -0.00006 0.00008 0.00001 -0.00003 0.00002 0.00008 0.00008 0.00014 0.00019 0.00020 0.00018 0.00024 0.00024 -0.00114 -0.00119 -0.00123 -0.00113 -0.00118 -0.00122 -0.00105 -0.00110 -0.00114 0.00030 0.00032 0.00039 0.00016 0.00018 0.00025 0.00004 0.00006 0.00013 0.00040 0.00044 0.00050 0.00037 0.00040 0.00047 0.00052 0.00056 0.00062 -0.00026 -0.00030 -0.00039 -0.00033 -0.00036 -0.00046 -0.00028 -0.00031 -0.00041 -0.00010 -0.00008 -0.00006 -0.00004 0.00002 0.00000 -0.00017 -0.00019 -0.00004 0.00002 0.00017 0.00023 -0.00012 -0.00009 -0.00017 -0.00014 -0.00018 -0.00030 -0.00009 -0.00012 -0.00023 -0.00003 2.86836 2.89420 2.67477 2.77538 2.34578 2.91501 2.86251 2.88122 3.03596 2.98586 2.94552 2.93289 2.86649 2.10244 2.98540 2.92525 2.11042 2.78322 2.07248 2.91868 2.09582 2.08944 2.94840 2.94380 2.93794 2.08967 2.08797 2.91733 2.09106 2.10065 2.91266 2.09964 2.09489 2.56729 2.06750 2.08622 2.07976 2.08686 2.09228 2.09291 2.76013 2.60350 2.09152 2.09096 2.08808 2.08834 2.09124 2.08378 2.81264 2.83250 2.08369 2.08933 2.09008 1.85563 2.01570 1.93814 2.09804 2.02484 2.09387 1.86308 1.88472 1.90242 1.90429 1.99134 1.91466 1.94735 1.98935 1.85480 1.93762 1.83902 1.88631 2.04449 1.92774 1.82086 1.98276 1.81069 1.85508 1.95329 1.98076 2.06719 2.07543 2.07560 1.98366 1.86556 1.91167 1.89685 1.94228 1.85789 1.90203 1.89595 2.00131 1.86955 1.91967 1.87062 1.93106 1.93128 1.92656 1.92605 1.88837 1.85878 1.97378 1.91609 1.90105 1.91129 1.89209 1.86629 1.98562 1.89401 1.90113 1.89211 1.92673 1.85979 2.11433 2.07200 2.09513 1.96381 1.95027 1.92220 1.87589 1.87192 1.87576 1.93339 1.90785 1.92459 1.91475 1.92950 1.85196 2.05741 2.31722 1.90477 2.18451 1.90964 2.18880 1.94364 1.91767 1.96069 1.87975 1.88744 1.87142 1.95056 1.90942 1.97352 1.87254 1.88322 1.87021 1.87894 2.28700 2.11666 2.11712 1.87483 2.29113 1.95230 1.93021 1.93528 1.89225 1.89433 1.85628 -3.07802 0.04151 3.12664 -0.02943 3.13533 0.92352 -1.15209 1.92257 -0.28923 -2.36484 -0.83553 -3.04734 1.16024 0.06999 -2.68845 2.81296 0.05452 3.13319 1.04059 -0.96552 0.78570 -1.30690 2.97017 -1.97338 2.21720 0.21110 0.96137 -3.08211 -1.04416 3.00689 -1.03658 1.00137 -1.19722 1.04249 3.08045 2.87988 -1.09643 0.89046 0.84733 -3.12898 -1.14208 -1.30078 1.00610 2.99299 -2.93097 1.21200 -0.82609 -0.91226 -3.05248 1.19262 1.28093 -0.85929 -2.89738 1.03151 -3.13940 -1.05593 -1.04890 1.06339 -3.13633 3.09183 -1.07908 1.00439 0.30959 -2.89494 -1.90728 1.17139 2.36718 -0.83734 -0.83368 -2.86497 1.32635 -3.11535 1.13654 -0.95531 1.16140 -0.86989 -2.96175 1.06866 -1.07164 -3.12480 -2.87632 1.26655 -0.78660 -0.89639 -3.03669 1.19334 -1.01027 2.02646 0.14975 -3.09671 2.90815 -0.33831 -0.88093 1.26243 -2.99345 1.19385 -2.94598 -0.91867 -3.04895 -0.90559 1.12172 0.89230 -1.21535 3.04968 2.94039 0.83275 -1.18541 -1.31541 2.86013 0.84197 0.87048 2.95172 -1.24976 -1.18160 0.89964 2.98134 3.04195 -1.15999 0.92171 0.87993 2.95118 -1.24919 3.03052 -1.18141 0.90141 -1.22595 0.84530 2.92812 1.01446 3.12638 -1.12723 -3.12584 -1.01391 1.01566 -1.09551 1.01642 3.04599 -1.00707 -3.11491 1.13175 1.10164 -1.00620 -3.04272 3.13270 1.02486 -1.01166 3.01300 -0.10306 -0.06484 3.10228 3.02095 -0.14277 -0.03921 3.08025 -3.02410 0.08016 0.01939 3.12366 0.00604 3.13117 -3.10261 0.02253 -0.02361 -2.13469 2.09367 3.07636 0.96528 -1.08954 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000140 0.000013 0.002977 0.000524 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.651438e-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 1 1 2 2 3 4 4 4 5 5 5 5 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 12 13 13 13 14 14 15 15 15 16 16 17 17 19 19 19 20 20 20 21 21 23 23 23 4 8 18 22 22 6 8 9 6 7 12 15 14 24 10 11 25 17 26 11 27 28 13 19 20 29 30 16 31 32 16 33 34 18 35 36 37 38 39 40 18 21 41 42 43 44 45 46 22 23 47 48 49 1.5178 1.5315 1.4153 1.4685 1.2413 1.5426 1.5148 1.5246 1.6066 1.58 1.5587 1.552 1.5169 1.1125 1.5798 1.5479 1.1168 1.4727 1.0967 1.5445 1.1091 1.1057 1.5602 1.5578 1.5547 1.1058 1.1049 1.5438 1.1065 1.1116 1.5413 1.1111 1.1086 1.3586 1.0941 1.104 1.1006 1.1043 1.1072 1.1075 1.4605 1.3777 1.1068 1.1065 1.105 1.1051 1.1066 1.1027 1.4885 1.4989 1.1027 1.1056 1.106 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-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 = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 18 1 1 6 6 8 6 6 6 7 7 12 4 4 4 5 5 14 5 5 5 10 10 11 1 1 4 4 17 4 4 4 11 11 27 7 7 7 13 13 19 7 7 7 9 9 29 5 5 5 16 16 31 10 10 10 16 16 33 6 6 18 5 5 5 36 36 37 12 12 12 13 13 39 8 8 18 2 2 14 10 10 10 41 41 42 10 10 10 44 44 45 17 17 22 2 2 3 21 21 21 47 47 48 2 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 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 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 23 23 23 22 6 9 8 9 9 7 12 15 12 15 15 5 14 24 14 24 24 10 11 25 11 25 25 17 26 17 26 26 11 27 28 27 28 28 13 19 20 19 20 20 9 29 30 29 30 30 16 31 32 31 32 32 16 33 34 33 34 34 18 35 35 36 37 38 37 38 38 13 39 40 39 40 40 18 21 21 14 17 17 41 42 43 42 43 43 44 45 46 45 46 46 22 23 23 3 21 21 47 48 49 48 49 49 106.3242 115.4933 111.0424 120.2057 116.0192 119.9682 106.7464 107.9851 109.0081 109.1061 114.0896 109.7042 111.5715 113.9837 106.2753 111.0216 105.3723 108.0667 117.1463 110.4552 104.329 113.6 103.7453 106.2792 111.9191 113.4958 118.4392 118.9061 118.9266 113.6582 106.8894 109.5318 108.6773 111.2826 106.4512 108.9792 108.6199 114.6712 107.1252 109.9931 107.1714 110.6342 110.661 110.3795 110.3551 108.2013 106.4991 113.0991 109.7803 108.9241 109.508 108.406 106.9251 113.767 108.5215 108.9278 108.411 110.3906 106.5565 121.1412 118.7185 120.042 112.5224 111.7426 110.1388 107.4787 107.2552 107.4624 110.783 109.308 110.2725 109.7033 110.5517 106.1074 117.8887 132.7591 109.1349 125.1647 109.4157 125.4064 111.3658 109.8757 112.3352 107.7021 108.1387 107.2276 111.7597 109.4032 113.0796 107.2868 107.9011 107.1481 107.6504 131.0344 121.2816 121.3164 107.4202 131.2569 111.8555 110.5934 110.8856 108.4137 108.5335 106.3652 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 22 22 18 18 1 1 1 8 8 8 9 9 9 6 6 9 9 1 1 1 6 6 6 8 8 8 7 7 7 12 12 12 15 15 15 6 6 6 12 12 12 15 15 15 6 6 6 7 7 7 15 15 15 6 6 6 7 7 7 12 12 12 4 4 5 5 24 24 5 5 5 11 11 11 25 25 25 5 5 5 10 10 10 25 25 25 1 1 4 4 26 26 4 4 4 27 27 27 28 28 28 7 7 7 19 19 19 20 20 20 7 7 7 13 13 13 20 20 20 7 7 7 13 13 13 19 19 19 5 5 5 31 31 31 32 32 32 10 10 10 33 33 33 34 34 34 6 6 35 35 8 8 21 21 8 8 18 18 17 17 23 23 17 17 17 22 22 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 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 13 14 14 14 14 17 17 17 17 17 17 17 17 21 21 21 21 21 21 21 21 21 18 18 22 22 6 6 6 6 6 6 6 6 6 8 8 8 8 9 9 9 9 9 9 9 9 9 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 14 14 14 14 14 14 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 17 17 17 17 17 17 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 21 21 21 21 22 22 22 22 23 23 23 23 23 14 17 3 21 5 14 24 5 14 24 5 14 24 17 26 17 26 11 27 28 11 27 28 11 27 28 4 14 24 4 14 24 4 14 24 10 11 25 10 11 25 10 11 25 16 31 32 16 31 32 16 31 32 36 37 38 36 37 38 36 37 38 18 35 18 35 18 35 13 19 20 13 19 20 13 19 20 9 29 30 9 29 30 9 29 30 18 21 18 21 18 21 7 29 30 7 29 30 7 29 30 16 33 34 16 33 34 16 33 34 41 42 43 41 42 43 41 42 43 44 45 46 44 45 46 44 45 46 13 39 40 13 39 40 13 39 40 12 39 40 12 39 40 12 39 40 2 17 2 17 2 14 2 14 22 23 22 23 2 3 2 3 47 48 49 47 48 -176.364 2.3729 179.1444 -1.6869 179.6513 52.9191 -65.9942 110.1647 -16.5676 -135.4809 -47.8621 -174.5944 66.4923 4.0107 -154.0224 161.1717 3.1386 179.5202 59.6262 -55.3185 45.0157 -74.8783 170.177 -113.0665 127.0395 12.0948 55.073 -176.5971 -59.8395 172.2703 -59.3998 57.3578 -68.6018 59.7281 176.4857 164.9953 -62.8266 51.0059 48.5417 -179.2802 -65.4477 -74.5333 57.6447 171.4772 -167.908 69.4629 -47.3033 -52.2466 -174.8757 68.3581 73.407 -49.2221 -165.9883 59.1447 -179.8292 -60.4656 -60.0546 60.9716 -179.6648 177.1959 -61.778 57.5857 17.7315 -165.8716 -109.2865 67.1104 135.621 -47.982 -47.7733 -164.1623 75.9967 -178.5108 65.1002 -54.7408 66.5416 -49.8474 -169.6885 61.2377 -61.3932 -179.0305 -164.7851 72.584 -45.0533 -51.3503 -173.9812 68.3815 -57.8836 116.0945 8.5777 -177.4442 166.6062 -19.4157 -50.476 72.333 -171.5083 68.3996 -168.7914 -52.6327 -174.6963 -51.8873 64.2714 51.1236 -69.6386 174.7295 168.4642 47.702 -67.9299 -75.378 163.8598 48.2279 49.9397 169.1894 -71.5358 -67.6363 51.6135 170.8882 174.3507 -66.3995 52.8752 50.3991 169.0721 -71.5953 173.627 -67.7001 51.6326 -70.2442 48.4287 167.7613 58.101 179.1034 -64.6142 -179.1185 -58.1161 58.1662 -62.7979 58.2045 174.4869 -57.6859 -178.4542 64.8671 63.1383 -57.6301 -174.3088 179.5067 58.7384 -57.9404 172.6379 -5.9005 -3.7119 177.7498 173.0866 -8.1803 -2.2368 176.4962 -173.2663 4.5917 1.1012 178.9592 0.3528 179.408 -177.7567 1.2985 -1.3421 -122.2914 119.9638 176.2694 55.3201 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 288.2121999999998 AuxInfo=1/0/N:23,19,20,15,16,11,13,12,9,14,21,18,7,6,17,8,22,10,5,4,3,2,1/E:(2,3)/CRV:10.3,11.3,12.3,15.3,17.3,21.1/rA:49OOO1CCCCCCCCCCC3CCC3C3CCC3C3CHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s1;;s4s5;s5;s1s4;s4;s7;s7s9;s5;s10;s6;s5;s12s13;s8;s2s14s17;s10;s10;s17;s2s3s21;s21;s6;s7;s8;s9;s9;s11;s11;s12;s12;s13;s13;s14;s15;s15;s15;s16;s16;s19;s19;s19;s20;s20;s20;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.289490 0.000000 5.707509 2.298216 0.000000 1.444229 4.277139 5.914238 0.000000 3.883109 4.730397 6.735857 2.576353 0.000000 2.495261 3.813617 5.857396 1.538387 1.594697 0.000000 4.236580 6.145448 8.068024 2.925242 1.576642 2.565150 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0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 288.2121999999998 AuxInfo=1/0/N:23,19,20,15,16,11,13,12,9,14,21,18,7,6,17,8,22,10,5,4,3,2,1/E:(2,3)/CRV:10.3,11.3,12.3,15.3,17.3,21.1/rA:49OOO1CCCCCCCCCCC3CCC3C3CCC3C3CHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s1;;s4s5;s5;s1s4;s4;s7;s7s9;s5;s10;s6;s5;s12s13;s8;s2s14s17;s10;s10;s17;s2s3s21;s21;s6;s7;s8;s9;s9;s11;s11;s12;s12;s13;s13;s14;s15;s15;s15;s16;s16;s19;s19;s19;s20;s20;s20;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.261798 0.000000 5.755065 2.364750 0.000000 1.517811 4.289895 6.033986 0.000000 3.996001 4.727344 6.809662 2.604453 0.000000 2.588174 3.841178 5.977114 1.542555 1.606648 0.000000 4.379264 6.153438 8.168965 2.962020 1.579995 2.557453 0.000000 1.531550 3.713484 4.967986 1.514805 3.698364 2.650527 4.291145 0.000000 2.507977 5.789976 7.457571 1.524607 3.035496 2.601390 2.542954 2.631791 0.000000 5.955885 7.413048 9.419345 4.524109 2.696235 4.019852 1.579755 5.785440 3.955620 0.000000 3.904995 6.402064 8.146682 2.569023 2.569394 3.018081 1.547903 3.687071 1.544532 2.617170 0.000000 5.144974 5.103768 7.330947 3.939542 1.558712 2.560743 2.556986 5.017303 4.447486 3.050474 3.932858 0.000000 6.700023 7.530779 9.672229 5.331622 3.041458 4.399281 2.555963 6.619284 5.086114 1.560178 3.962296 2.539175 0.000000 3.068840 2.462448 4.751160 2.565680 2.575038 1.516905 3.919513 2.947922 3.946648 5.235101 4.430683 2.998916 5.343460 0.000000 4.520549 4.466179 6.211985 3.139043 1.552012 2.571840 2.628099 3.676514 3.662960 3.395749 3.081929 2.543544 3.871429 3.019800 0.000000 6.495688 6.461306 8.587478 5.162370 2.588610 3.958950 2.973202 6.269128 5.351480 2.597699 4.429554 1.543772 1.541301 4.501425 3.192143 0.000000 2.489703 2.347473 3.531077 2.566798 4.032594 2.993888 5.058536 1.472743 3.940330 6.485701 4.780344 5.075677 7.073847 2.505588 3.759211 6.405347 0.000000 3.029019 1.415339 3.486741 2.884272 3.545384 2.505621 4.859974 2.512841 4.385044 6.215106 5.037990 4.187988 6.485130 1.358551 3.482409 5.607836 1.460525 0.000000 6.588997 8.683312 10.703988 5.299610 3.997317 5.031586 2.548304 6.645881 4.364033 1.557797 3.114643 4.364231 2.508430 6.398546 4.835719 3.910384 7.561435 7.403557 0.000000 6.714516 7.832394 9.608226 5.212871 3.422184 4.885201 2.638737 6.209392 4.638861 1.554668 3.131701 3.915933 2.551428 5.959901 3.415346 3.231650 6.843011 6.723160 2.504744 0.000000 3.631182 2.383396 2.488588 3.909346 5.278200 4.337334 6.361040 2.611898 5.202623 7.730612 6.021833 6.239660 8.302661 3.617059 4.760093 7.527771 1.377687 2.313070 8.854053 7.942231 0.000000 4.573903 1.468461 1.241298 4.793900 5.662933 4.772770 6.977883 3.772239 6.225689 8.275315 6.935724 6.290518 8.590965 3.627430 5.153372 7.593898 2.314526 2.308225 9.518943 8.529017 1.488450 0.000000 4.425170 3.809875 3.104929 4.846634 6.467483 5.580782 7.377770 3.363111 5.907188 8.728980 6.775726 7.569411 9.466163 5.052778 5.828308 8.789384 2.618393 3.790787 9.769669 8.801363 1.498868 2.603642 0.000000 2.848710 4.541745 6.756300 2.139880 2.183276 1.112525 2.713592 3.419626 2.866471 4.107829 3.358416 2.703887 4.330706 2.141364 3.498595 4.075323 3.864324 3.287154 4.884497 5.255656 5.202506 5.574590 6.444581 0.000000 4.289613 6.419594 8.549677 3.102741 2.148708 2.611900 1.116770 4.586974 2.662366 2.140370 2.147632 2.759774 2.759268 4.022756 3.522770 3.318589 5.402892 5.105697 2.603479 3.522564 6.764107 7.341768 7.832917 2.291442 0.000000 2.210802 4.566971 5.441191 2.259069 4.433044 3.599717 4.789302 1.096688 2.830247 6.201707 3.857511 5.866064 7.219381 4.017512 4.229165 6.993795 2.221294 3.495011 6.954049 6.453154 2.957716 4.337717 3.211901 4.350188 5.172952 0.000000 2.708016 6.338478 8.120790 2.130001 3.523414 2.940792 2.839124 3.362162 1.109052 4.184319 2.170874 4.707817 5.198694 4.327383 4.476707 5.619303 4.638549 4.932985 4.301636 5.141107 5.932809 6.885080 6.681127 2.770197 2.504134 3.648557 0.000000 2.713415 6.238669 7.624988 2.161964 4.004441 3.530410 3.512655 2.676044 1.105666 4.798329 2.201768 5.481045 6.054250 4.715693 4.350413 6.348516 4.122765 4.889098 5.088844 5.262091 5.220548 6.430769 5.648189 3.877967 3.713567 2.436862 1.773988 0.000000 4.299446 6.334782 7.875681 2.933042 2.827827 3.453943 2.196975 3.674439 2.190107 2.979458 1.105806 4.260050 4.352305 4.662608 2.736132 4.650650 4.657880 5.057067 3.694188 2.933666 5.758370 6.715441 6.395221 4.066094 3.081142 3.674021 3.087696 2.499796 0.000000 4.664416 7.486448 9.209213 3.494077 3.536227 4.010581 2.192721 4.595950 2.161608 2.762212 1.104918 4.742815 4.232760 5.472550 4.094055 5.022874 5.795153 6.108932 2.683615 3.248982 7.020124 7.995849 7.676476 4.162815 2.539116 4.624506 2.430265 2.544185 1.771341 0.000000 5.382461 4.434541 6.631486 4.314337 2.195770 2.864323 3.523351 5.135123 5.112241 4.067907 4.751962 1.106545 3.496082 2.708384 2.695550 2.179122 4.870208 3.778575 5.445144 4.722675 5.882152 5.693757 7.278589 3.168609 3.777799 6.048967 5.457930 6.089822 4.938328 5.660466 0.000000 5.104867 5.430390 7.757342 4.088697 2.188405 2.663705 2.848269 5.304567 4.563956 3.422095 4.253658 1.111606 2.785874 3.160149 3.491111 2.168545 5.441866 4.489952 4.442254 4.593372 6.666682 6.701050 8.030671 2.338115 2.590197 6.215069 4.563506 5.654771 4.818078 4.960318 1.782215 0.000000 6.691438 7.783032 10.026641 5.462432 3.423449 4.482060 2.852404 6.861142 5.201051 2.184021 4.286387 2.788021 1.111073 5.461133 4.564742 2.166059 7.365465 6.710147 2.615486 3.489670 8.653400 8.922806 9.863169 4.134063 2.595532 7.525161 5.080117 6.224042 4.905319 4.473977 3.783887 2.572496 0.000000 7.770193 8.492029 10.585498 6.372840 4.059753 5.482837 3.517557 7.626542 6.037335 2.187495 4.785706 3.505642 1.108567 6.386172 4.672634 2.189788 8.073507 7.496146 2.792839 2.683633 9.265506 9.536666 10.399371 5.439141 3.772431 8.170803 6.164479 6.947357 5.066736 4.910930 4.343713 3.791026 1.779150 0.000000 4.025035 2.730343 5.092241 3.557609 2.984843 2.256742 4.384458 4.037847 4.838582 5.518833 5.179465 2.814156 5.310961 1.094067 3.542950 4.294331 3.484721 2.128586 6.712677 6.322486 4.435422 4.119892 5.919052 2.526164 4.382489 5.110828 5.096779 5.694910 5.467600 6.184924 2.269945 2.830954 5.345911 6.314689 0.000000 4.145351 4.579337 6.059334 2.810436 2.222620 2.828300 2.918073 3.071148 3.219037 3.829800 2.775539 3.526283 4.639297 3.382750 1.103956 4.192909 3.355703 3.528651 5.100566 3.688833 4.299616 4.977317 5.159198 3.840666 3.852809 3.391677 4.204874 3.664681 2.164365 3.784598 3.728662 4.362715 5.316982 5.423588 4.150470 0.000000 5.565024 5.393042 7.041852 4.130708 2.210303 3.552947 2.911778 4.703621 4.399760 3.136381 3.472472 2.820648 3.538561 4.030163 1.100557 2.897654 4.805775 4.523955 4.637562 2.760741 5.717285 6.060462 6.708918 4.360010 3.916584 5.144830 5.195422 5.057867 2.994194 4.318925 3.031703 3.875519 4.433707 4.124740 4.400605 1.777576 0.000000 4.707895 3.635593 5.352658 3.542594 2.192811 2.803434 3.576010 3.794884 4.411252 4.367341 4.083426 2.763663 4.581173 2.648756 1.104310 3.580424 3.438710 2.916217 5.843180 4.407288 4.260671 4.380385 5.439923 3.778980 4.328402 4.459973 5.201181 5.070504 3.755159 5.135546 2.452829 3.706522 5.222624 5.372597 3.042819 1.778050 1.777676 0.000000 7.297926 6.926364 9.081979 6.056024 3.535643 4.726527 3.984659 7.156579 6.331113 3.545376 5.484249 2.177022 2.179952 5.067233 4.153622 1.107193 7.174141 6.217321 4.677655 4.192399 8.256061 8.158699 9.583907 4.710659 4.147811 7.949184 6.508736 7.361055 5.752128 6.045715 2.494791 2.480803 2.480674 2.517130 4.631670 5.203291 3.862030 4.351416 0.000000 6.863250 6.489436 8.439185 5.462394 2.881744 4.381516 3.380319 6.389230 5.672015 2.899009 4.633826 2.189659 2.191045 4.810683 2.907430 1.107508 6.437839 5.727162 4.340066 2.964800 7.446014 7.505377 8.636879 4.741668 4.008437 7.028040 6.124457 6.570479 4.589906 5.266323 2.510067 3.092691 3.092802 2.525198 4.689895 3.896389 2.290781 3.249341 1.769988 0.000000 6.344198 8.685530 10.794934 5.209345 4.142571 4.903340 2.719499 6.654419 4.293673 2.215394 3.362109 4.412548 2.823914 6.294802 5.258638 4.183524 7.602822 7.382271 1.106779 3.488873 8.947502 9.589530 9.913885 4.519604 2.296860 7.041500 3.959697 5.088210 4.188693 2.940254 5.518985 4.214546 2.479230 3.279635 6.558144 5.556909 5.247742 6.200292 4.839492 4.840961 0.000000 7.672448 9.554269 11.592737 6.361313 4.828682 5.987531 3.511411 7.696263 5.463638 2.196149 4.165659 4.952303 2.665962 7.282836 5.578404 4.178102 8.552288 8.324554 1.106484 2.788870 9.827307 10.431972 10.762077 5.826203 3.581371 8.008181 5.400420 6.171386 4.625520 3.712214 6.003398 5.041241 2.791018 2.496427 7.500051 5.928567 5.206178 6.553411 4.780773 4.550355 1.787180 0.000000 6.571840 9.003357 10.892993 5.325860 4.451211 5.372009 2.911618 6.568844 4.159222 2.226206 2.894353 5.118609 3.495239 6.807449 5.114799 4.790253 7.624195 7.676971 1.104976 2.712175 8.880440 9.695810 9.649468 5.321706 3.094583 6.704865 4.156232 4.671922 3.377738 2.140200 6.171906 5.269324 3.692952 3.756370 7.271045 5.145775 4.944659 6.188596 5.650239 5.083313 1.790919 1.780307 0.000000 6.472073 7.921277 9.541668 5.011446 3.738470 5.015682 2.849542 5.874217 4.262633 2.216313 2.747882 4.587014 3.526029 6.159267 3.554761 4.170696 6.644004 6.762878 2.848322 1.105094 7.696499 8.450678 8.395445 5.479241 3.796194 5.937547 4.874634 4.679805 2.310410 2.743223 5.366911 5.263788 4.360787 3.747353 6.691278 3.484852 3.034380 4.609920 5.193484 3.880801 3.828671 3.299891 2.614323 0.000000 7.764399 8.884628 10.667916 6.274999 4.435546 5.916631 3.571837 7.303259 5.609587 2.187409 4.079484 4.712819 2.847521 6.991220 4.467495 3.745618 7.948717 7.798707 2.630205 1.106639 9.041218 9.605861 9.887038 6.196914 4.301438 7.521234 6.018317 6.204143 3.929039 3.981407 5.528050 5.318093 3.743004 2.537874 7.280334 4.772083 3.713436 5.410053 4.531064 3.468912 3.697141 2.460401 2.850023 1.781204 0.000000 6.829317 7.327946 9.028426 5.312646 3.282982 4.835161 3.028759 6.156952 5.031810 2.230904 3.639829 3.639658 2.772103 5.670838 2.901748 2.907417 6.566031 6.355397 3.490314 1.102677 7.565473 8.021264 8.462976 5.356797 4.007221 6.458399 5.659327 5.671739 3.254790 4.022217 4.234747 4.515176 3.842263 2.903986 5.970178 3.321160 1.997208 3.748025 3.843584 2.297369 4.386114 3.739604 3.790666 1.785004 1.777672 0.000000 4.100988 4.543031 4.175525 4.547640 6.422289 5.549190 7.115339 3.041209 5.382460 8.473894 6.308047 7.680062 9.366188 5.316394 5.844096 8.860027 2.813965 4.202146 9.386959 8.531626 2.166325 3.529583 1.102653 6.383618 7.567214 2.560782 6.161702 4.947667 5.922902 7.110549 7.545483 8.121781 9.754276 10.294168 6.291439 5.031782 6.713597 5.660958 9.734090 8.732633 9.534396 10.404243 9.155940 8.014013 9.604666 8.310377 0.000000 4.905639 4.175483 3.079552 5.581305 7.329117 6.295873 8.261135 4.110291 6.685598 9.666205 7.680760 8.363297 10.359211 5.655364 6.800165 9.656562 3.331175 4.361030 10.676768 9.823371 2.152843 2.875759 1.105607 7.061900 8.623616 4.006197 7.355026 6.411194 7.382200 8.566705 8.027634 8.736780 10.688698 11.324772 6.448576 6.186371 7.718780 6.360017 10.403480 9.561782 10.748059 11.689987 10.571386 9.436187 10.917006 9.499387 1.791195 0.000000 5.355325 4.227642 3.158058 5.561727 6.884368 6.207073 7.838148 4.128206 6.568710 9.076855 7.250591 7.955082 9.805631 5.640976 6.017400 9.064402 3.323726 4.371783 10.193499 8.973365 2.156814 2.928599 1.106006 7.158140 8.412811 3.913126 7.437079 6.304768 6.722760 8.158552 7.602029 8.536219 10.306106 10.673283 6.456811 5.334184 6.775484 5.566000 9.856810 8.779765 10.442662 11.136933 10.062319 8.551874 10.030176 8.537634 1.792868 1.770505 0.000000 0.5762142 0.1545227 0.1383703 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= 271 272 273 274 275 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 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= 18145 NPrTT= 91512 LenC2= 16104 LenP2D= 51417. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 282 RedAO= T EigKep= 4.86D-04 NBF= 282 NBsUse= 282 1.00D-06 EigRej= -1.00D+00 NBFU= 282 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= 273 274 274 274 275 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 0 1 -1001.49330138217 -1001.66924825368 -0.175946871510 -1001.81223698839 -0.142988734710 -999.144889296380 2.667347692008 -1001.65091983319 -2.506030536808 -1001.97851508836 -0.327595255175 -1001.99919572777 -0.020680639403 -1002.01042935441 -0.011233626647 -1002.01221508428 -0.001785729866 -1002.01229700300 -0.000081918726 -1002.01230487056 -0.000007867555 -1002.01242576167 -0.000120891106 -1002.01242665438 -0.000000892714 -1002.01242635268 0.000000301697 -1002.01242678836 -0.000000435680 -1002.01242681898 -0.000000030620 -1002.01242682185 -0.000000002868 -1002.01242682201 -0.000000000155 -1002.01242682202 -0.000000000010 -1002.01242682199 0.000000000021 -1002.01242682 20 9.984836082300e+02 -6.485738894923e+03 2.408882531695e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=807738276. IVT= 261168 IEndB= 261168 NGot= 2818572288 MDV= 2022166465 LenX= 2022166465 LenY= 2022086500 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. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 39903 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -2.27616143e+00 1.00019608e+00 5.12865224e-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 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.025659227 0.019722139 -0.055093116 -0.009617705 -0.025863333 -0.013323956 0.037131895 -0.027387536 0.007212019 -0.008221896 -0.012700423 0.004032193 -0.001644404 -0.006778028 0.004151985 0.002930902 -0.005266644 0.010198242 0.000305242 -0.000572603 0.003153121 -0.010330474 -0.007315676 0.040616648 -0.004627295 0.001628232 0.010384049 -0.006172169 0.002031111 0.000129775 -0.005376039 -0.002842526 0.002048490 0.005527594 0.001806140 -0.000452532 0.000005052 -0.000190004 0.000385099 -0.020058616 0.000199486 -0.005674981 0.002456595 0.000903353 -0.003144774 -0.000998858 -0.002353165 -0.000862926 -0.030913527 0.021974236 -0.016373076 -0.032125981 -0.000794344 -0.014475051 0.004384865 0.000651584 -0.000939898 -0.000313366 -0.000901700 0.001690916 0.024885625 0.000928297 0.010930890 0.030107027 0.025127921 0.023305019 0.000223330 0.002018393 0.001724613 -0.006496831 0.000924820 -0.006773320 -0.001340264 0.000703852 -0.008490761 0.001984653 0.011180480 0.002148406 -0.000060098 0.000459501 -0.007275288 0.005301325 0.005033489 0.000560284 0.001121085 -0.002428321 0.006901796 -0.007264218 0.003354970 0.000325728 0.007303295 -0.003088261 0.000445295 -0.001351686 0.002233085 -0.008269854 -0.001128909 0.002648958 -0.007517007 -0.006814902 0.000667706 0.003803233 -0.002797717 -0.005036731 -0.003111415 0.002899222 0.005835207 0.002831967 -0.008651144 -0.000493469 0.004191726 0.005268923 -0.003506472 -0.003432810 -0.001502726 -0.006653780 -0.002443681 0.001609871 -0.001821479 0.007789094 0.000914495 0.001179190 -0.007278518 -0.004656260 -0.003697877 0.001947550 0.000795503 0.006469424 0.003090832 0.003134600 0.005549323 0.002978090 -0.006740298 0.000076389 -0.000731357 0.006339149 -0.006128232 0.003692310 -0.003187810 0.005155025 -0.000127191 0.007206630 -0.000685010 -0.000807434 0.004897089 -0.001956698 0.005929576 0.055093116 0.010946108 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1002.03954592120 -1002.03955366313 -0.000007741934 -1002.03955359554 0.000000067590 -1002.03955371015 -0.000000114608 -1002.03955371985 -0.000000009700 -1002.03955372292 -0.000000003075 -1002.03955372331 -0.000000000384 -1002.03955372335 -0.000000000048 -1002.03955372333 0.000000000023 -1002.03955372 9 9.969991041957e+02 -6.447242115415e+03 2.390640727027e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=807738276. IVT= 261168 IEndB= 261168 NGot= 2818572288 MDV= 2022166465 LenX= 2022166465 LenY= 2022086500 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. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 39903 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.812458 -18.780476 -18.765007 -10.026310 -9.976160 -9.974797 -9.973666 -9.943309 -9.942568 -9.932630 -9.929832 -9.925561 -9.919948 -9.911286 -9.910426 -9.910009 -9.903162 -9.898784 -9.897015 -9.894560 -9.887906 -9.887843 -9.887103 -1.011716 -0.970890 -0.950738 -0.792658 -0.775874 -0.751611 -0.729449 -0.716743 -0.681398 -0.674164 -0.653805 -0.635290 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0.285320 0.294398 0.298974 0.302368 0.311300 0.314895 0.319798 0.323509 0.329270 0.331651 0.339213 0.345732 0.350002 0.353770 0.358463 0.369566 0.372113 0.374010 0.383960 0.389309 0.394305 0.396391 0.407835 0.411355 0.417777 0.428106 0.436990 0.443300 0.452024 0.462434 0.467346 0.474098 0.478267 0.482935 0.495798 0.500720 0.501617 0.513747 0.520775 0.524252 0.531649 0.539677 0.551074 0.558434 0.567535 0.575598 0.582453 0.601089 0.613952 0.624458 0.628597 0.652539 0.666366 0.681812 0.713807 0.725694 0.740754 0.756144 0.762924 0.787296 0.801618 0.817482 0.820803 0.839108 0.841416 0.849642 0.855007 0.862580 0.870644 0.898262 0.907353 0.916611 0.934840 0.941291 0.948066 0.966520 0.970376 0.984412 1.001040 1.014707 1.024267 1.030336 1.043002 1.060960 1.073596 1.081657 1.086474 1.099136 1.108460 1.112567 1.123402 1.133982 1.143285 1.156663 1.158809 1.168656 1.181427 1.189233 1.198009 1.217530 1.233430 1.241670 1.249861 1.284302 1.288893 1.306719 1.327954 1.339942 1.352796 1.365692 1.379295 1.438864 1.451772 1.476814 1.518602 1.559083 1.691959 1.713674 1.765911 22.324775 22.464027 22.485581 22.535797 22.540367 22.584470 22.599460 22.613759 22.620955 22.638268 22.648847 22.662221 22.679129 22.685520 22.693399 22.717997 22.735235 22.747547 22.760795 22.789746 41.527719 41.540447 41.556394 29.115500 29.117075 29.116751 15.955804 15.956646 15.955303 15.953091 15.951000 15.953397 15.956463 15.959834 15.953673 15.960346 15.955813 15.957696 15.955803 15.956463 15.956766 15.957436 15.957171 15.956018 15.955021 15.955979 2.437808 2.248613 2.739344 1.352095 1.726957 1.438294 1.410018 1.483305 1.508748 1.501857 1.735853 1.476373 1.542815 1.372000 1.395249 1.593401 1.487811 1.613947 1.487821 1.507102 1.519900 1.378812 1.294175 1.383392 1.350981 0.972052 1.109915 1.069775 1.250373 1.188057 1.171854 1.195753 1.488621 1.170727 1.515544 1.171337 1.594820 1.372098 1.314132 1.552951 1.254260 1.144015 1.234187 1.185109 1.315165 1.432801 1.644101 1.372540 1.626319 1.421256 1.295402 1.375718 1.375094 1.234800 1.542974 1.282572 1.582948 1.545654 1.698982 2.377208 2.269805 1.694917 1.793940 1.923993 2.199173 2.028329 2.112453 1.217726 1.240818 1.224051 1.227156 1.364923 1.253763 1.427115 1.215636 1.355004 1.240041 1.210045 1.448177 1.232253 1.346984 1.122473 1.246957 1.183969 1.477428 1.434570 1.234498 1.227705 1.207073 1.251920 1.215318 1.222886 1.483110 0.982164 1.340295 1.567004 1.601690 1.325819 1.507301 1.691132 1.310212 1.377587 1.293482 1.338831 1.478800 1.477820 1.428968 1.419135 1.328752 1.466191 1.489375 1.584361 1.454552 1.754316 1.583280 1.880863 1.636985 1.521471 1.516965 1.567491 1.683596 1.788439 1.918684 1.601838 1.922020 1.750198 1.573005 1.832700 1.983588 1.765497 1.866953 1.867213 1.998049 1.821914 2.087190 1.989420 2.093092 2.066713 1.850607 2.277168 2.314121 2.428390 1.752118 2.284058 1.914890 1.875510 2.254173 2.268635 2.443921 2.107311 2.372986 2.342734 2.046032 1.998671 2.102744 2.140227 2.225536 2.317451 2.057694 2.055834 2.123851 2.308002 2.187179 2.110569 1.927912 2.062854 2.441643 1.964121 2.036483 2.139876 2.150690 2.172344 2.537397 2.252393 2.502850 2.235797 2.330861 2.482540 2.425283 2.431062 2.441681 2.414211 2.523319 2.584232 2.649911 2.665053 2.765076 2.899505 2.963007 2.880468 2.806405 2.934535 3.032594 2.746974 3.003506 2.886402 2.950467 2.969653 2.814565 2.854177 2.684149 2.868184 2.785335 2.682756 2.808916 2.947014 2.756312 2.927285 2.774032 2.879140 2.814410 2.780716 2.759640 2.807284 2.865086 2.790504 2.922632 2.853590 3.001200 2.746660 2.705463 2.767396 2.793906 2.978584 2.867249 2.915446 2.826686 2.878932 2.910906 3.048621 3.294013 3.263396 3.264437 5.114537 5.308993 5.477536 57.410426 57.421345 57.403569 57.402556 57.417937 57.408838 57.412089 57.398594 57.395307 57.390746 57.393452 57.401555 57.381639 57.390869 57.380994 57.407251 57.392052 57.401344 57.403493 57.399273 105.845300 105.842293 105.840310 9.969991041957D+02 PT5751.700S Mon Sep 4 14:19:08 2017 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 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-0.21633 0.00468 -0.03537 -0.12196 0.05439 -0.33045 0.02075 0.90846 0.58140 -0.16311 -0.25031 -0.39756 -0.10318 -0.52358 -0.06577 -0.00625 0.00754 -0.06105 0.05045 0.01409 0.22138 -0.12541 -0.01172 -0.04835 0.00149 0.00896 -0.03185 -0.02352 -0.00413 0.01433 -0.05958 -0.09114 0.00399 -0.03914 0.00453 -0.00241 -0.00052 0.00067 -0.00670 0.01400 0.01070 -0.00539 -0.08023 0.01235 -0.00847 -0.00304 1 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 2 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 3 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 4 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 5 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 6 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 7 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 8 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 9 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 10 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 11 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 12 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 13 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 14 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 15 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 16 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 17 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 18 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 19 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 20 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 21 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 22 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 23 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 39 H 1S 2S 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 43 H 1S 2S 44 H 1S 2S 45 H 1S 2S 46 H 1S 2S 47 H 1S 2S 48 H 1S 2S 49 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|21 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|22 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|23 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|39 H 1S|2S|40 H 1S|2S|41 H 1S|2S|42 H 1S|2S|43 H 1S|2S|44 H 1S|2S|45 H 1S|2S|46 H 1S|2S|47 H 1S|2S|48 H 1S|2S|49 H 1S|2S 1.13276 0.85885 0.97763 0.98733 1.04965 1.28797 0.95921 0.29709 0.43932 0.29472 1.13247 0.85916 0.96013 0.90669 1.01880 1.17814 1.19992 0.21650 0.37269 0.41544 1.13255 0.85911 0.98241 0.84339 1.06628 1.21548 1.08850 0.24825 0.36512 0.37551 1.17446 0.81372 0.75331 0.52596 0.83460 0.89173 0.79154 -0.12512 -0.03538 0.00425 1.17443 0.81385 0.71724 0.57546 0.83440 0.86156 0.84504 -0.05375 -0.03811 -0.13650 1.17432 0.81388 0.71845 0.66933 0.87707 0.84999 0.90090 0.08928 -0.00254 0.18281 1.17436 0.81393 0.71447 0.66470 0.85551 0.85378 0.89177 -0.03908 0.02560 0.09323 1.17435 0.81388 0.74702 0.67874 0.90610 0.92374 0.75888 0.14582 0.17750 0.13261 1.17425 0.81409 0.72108 0.67350 0.87524 0.88814 0.91465 0.11653 0.18034 0.23160 1.17441 0.81393 0.72068 0.52903 0.84503 0.85781 0.84889 0.00290 -0.04610 -0.06507 1.17425 0.81413 0.71794 0.65840 0.88640 0.88585 0.89825 0.16845 0.14009 0.17199 1.17429 0.81412 0.72022 0.66746 0.88826 0.87973 0.89156 0.13987 0.14101 0.17919 1.17432 0.81414 0.72172 0.65342 0.88665 0.86058 0.90436 0.15815 0.07788 0.18908 1.17434 0.81397 0.74490 0.56766 0.89126 0.91088 0.80491 0.08465 0.16897 0.19610 1.17420 0.81418 0.71767 0.75008 0.92101 0.92134 0.87886 0.22582 0.24364 0.16952 1.17427 0.81418 0.71947 0.64261 0.85864 0.89282 0.91049 0.07648 0.15713 0.21178 1.17432 0.81370 0.75772 0.44376 0.90855 0.89360 0.81667 -0.08124 -0.15566 0.12058 1.17439 0.81380 0.76788 0.35303 0.86170 0.82939 0.86661 -0.02396 0.02728 0.13049 1.17427 0.81421 0.72428 0.72371 0.89034 0.89908 0.90940 0.20030 0.19594 0.24159 1.17425 0.81423 0.72180 0.72505 0.91941 0.91985 0.86776 0.22785 0.25248 0.15043 1.17435 0.81388 0.74765 0.44696 0.89589 0.87071 0.82568 -0.03045 0.03459 0.15259 1.17464 0.81380 0.79950 0.30105 0.81330 0.86844 0.75832 0.09062 0.16036 0.16574 1.17416 0.81432 0.72202 0.72320 0.91928 0.90576 0.91832 0.20189 0.19344 0.20571 0.50876 0.25287 0.51535 0.30810 0.51494 0.23743 0.50995 0.26526 0.51393 0.25780 0.51594 0.26099 0.51593 0.26617 0.51671 0.26180 0.51406 0.28921 0.51369 0.29382 0.51451 0.28383 0.51150 0.22942 0.51432 0.26391 0.51535 0.25729 0.51074 0.25013 0.51398 0.28117 0.51552 0.27369 0.51188 0.27423 0.51089 0.27078 0.51291 0.27346 0.51321 0.25799 0.51122 0.27424 0.51575 0.26787 0.51033 0.26302 0.50416 0.23880 0.50464 0.24336 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 O C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.284523 -0.259934 -0.176595 0.370921 0.406368 -0.273498 -0.048280 -0.458661 -0.589422 0.318502 -0.515751 -0.495723 -0.440290 -0.357630 -0.816300 -0.457880 0.308002 0.199407 -0.773125 -0.773083 0.068160 0.054222 -0.778084 0.238369 0.176556 0.247633 0.224785 0.228270 0.223075 0.217895 0.221497 0.196731 0.192493 0.201667 0.259079 0.221772 0.227356 0.239131 0.204853 0.210784 0.213885 0.218332 0.213636 0.228792 0.214544 0.216375 0.226649 0.257047 0.251993 0.00000 -2.40466746e+00 1.06886102e+00 7.15748513e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -6.1121 2.7168 1.8193 6.9316 -156.5390 -142.1112 -138.9102 16.8305 6.3882 7.2928 -10.6856 3.7423 6.9433 16.8305 6.3882 7.2928 -74.3181 8.0271 -12.0099 -12.2983 88.7624 4.7398 17.5491 -8.8843 6.9510 17.5003 -8817.0575 -1844.4244 -858.9977 503.4424 -41.4433 37.6990 25.7853 46.2688 -2.4866 -1802.1958 -1489.1130 -457.3470 50.3513 23.6776 -12.8415 0 -1002.0395537 3.664E-9 2.855E-5 -7.9444522,2.7822844,5.1621678,12.5130405,4.7494453,5.422003 C01 [X(C20H26O3)] -2.4046675 1.068861 0.7157485 @ 0.000032945 0.000002128 -0.000001310 -0.000043350 -0.000131263 -0.000073404 0.000030096 -0.000064048 -0.000002252 0.000023644 -0.000027132 0.000023273 0.000008766 -0.000005694 -0.000015735 -0.000005720 -0.000018215 0.000027785 -0.000012259 0.000006563 -0.000010224 -0.000070068 0.000003302 -0.000019259 -0.000054765 0.000015193 0.000022782 -0.000012528 0.000036085 -0.000004312 0.000031210 0.000027401 -0.000003418 0.000019584 -0.000005457 -0.000015802 -0.000007929 -0.000010864 -0.000010151 -0.000001945 0.000000980 0.000022711 -0.000001349 -0.000031051 0.000005644 -0.000013188 -0.000011644 0.000001745 0.000061945 0.000028577 0.000022809 -0.000081942 0.000020089 -0.000019490 0.000000791 0.000005324 -0.000003656 -0.000000761 -0.000009368 0.000016064 -0.000013316 -0.000068216 -0.000015956 0.000079589 0.000168149 0.000106719 -0.000015354 0.000015675 0.000009895 -0.000021451 0.000014505 -0.000008547 -0.000003829 -0.000007054 -0.000008778 0.000018726 0.000006239 0.000003822 0.000007710 0.000006837 -0.000000121 0.000007684 0.000006834 0.000004730 -0.000000846 -0.000004931 0.000000634 0.000018840 0.000006203 -0.000001662 -0.000008390 -0.000002119 -0.000001543 -0.000002711 0.000016319 -0.000005822 0.000004417 0.000011459 -0.000010173 -0.000002776 0.000007335 -0.000006855 -0.000001810 -0.000001368 -0.000005844 0.000007583 0.000006447 -0.000003961 -0.000017779 0.000008481 -0.000003976 0.000004659 0.000000089 -0.000012188 -0.000001395 0.000004791 -0.000000011 0.000000420 0.000008181 0.000002637 0.000006970 0.000004065 -0.000004647 -0.000001928 0.000007212 -0.000005657 -0.000010090 -0.000004624 -0.000000486 0.000004153 0.000005787 -0.000001264 -0.000002308 0.000007273 -0.000011888 0.000013875 -0.000003493 -0.000009958 0.000003279 -0.000013768 0.000004660 0.000013738 -0.000018449 0.000010922 0.000009158 -0.000018763 0.000011520 288.2121999999998 AuxInfo=1/0/N:23,19,20,15,16,11,13,12,9,14,21,18,7,6,17,8,22,10,5,4,3,2,1/E:(2,3)/CRV:10.3,11.3,12.3,15.3,17.3,21.1/rA:49OOO1CCCCCCCCCCC3CCC3C3CCC3C3CHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s1;;s4s5;s5;s1s4;s4;s7;s7s9;s5;s10;s6;s5;s12s13;s8;s2s14s17;s10;s10;s17;s2s3s21;s21;s6;s7;s8;s9;s9;s11;s11;s12;s12;s13;s13;s14;s15;s15;s15;s16;s16;s19;s19;s19;s20;s20;s20;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2104 CBGUSER 000161953 EM64L-G09RevD.01 5-Sep-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 141 C1[X(C20H26O3)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 288.2121999999998 0 1 AuxInfo=1/0/N:23,19,20,15,16,11,13,12,9,14,21,18,7,6,17,8,22,10,5,4,3,2,1/E:(2,3)/CRV:10.3,11.3,12.3,15.3,17.3,21.1/rA:49OOO1CCCCCCCCCCC3CCC3C3CCC3C3CHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s1;;s4s5;s5;s1s4;s4;s7;s7s9;s5;s10;s6;s5;s12s13;s8;s2s14s17;s10;s10;s17;s2s3s21;s21;s6;s7;s8;s9;s9;s11;s11;s12;s12;s13;s13;s14;s15;s15;s15;s16;s16;s19;s19;s19;s20;s20;s20;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-22069.inp" -scrdir="/scratch/" chk=000161953-Freq.chk nprocshared=8 mem=21GB #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 000161953 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 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 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| 0.000176 0.000042 0.010377 0.002692 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.388852e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2057.5627837857 282 656 282 85 85 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 0 288.2121999999998 AuxInfo=1/0/N:23,19,20,15,16,11,13,12,9,14,21,18,7,6,17,8,22,10,5,4,3,2,1/E:(2,3)/CRV:10.3,11.3,12.3,15.3,17.3,21.1/rA:49OOO1CCCCCCCCCCC3CCC3C3CCC3C3CHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s1;;s4s5;s5;s1s4;s4;s7;s7s9;s5;s10;s6;s5;s12s13;s8;s2s14s17;s10;s10;s17;s2s3s21;s21;s6;s7;s8;s9;s9;s11;s11;s12;s12;s13;s13;s14;s15;s15;s15;s16;s16;s19;s19;s19;s20;s20;s20;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.261798 0.000000 5.755064 2.364750 0.000000 1.517811 4.289896 6.033986 0.000000 3.996002 4.727344 6.809662 2.604454 0.000000 2.588174 3.841178 5.977113 1.542555 1.606648 0.000000 4.379264 6.153439 8.168965 2.962020 1.579995 2.557453 0.000000 1.531550 3.713484 4.967985 1.514805 3.698364 2.650527 4.291145 0.000000 2.507977 5.789976 7.457570 1.524607 3.035496 2.601390 2.542953 2.631791 0.000000 5.955886 7.413048 9.419344 4.524109 2.696234 4.019852 1.579755 5.785440 3.955619 0.000000 3.904995 6.402064 8.146682 2.569022 2.569394 3.018081 1.547902 3.687071 1.544531 2.617170 0.000000 5.144974 5.103768 7.330948 3.939542 1.558711 2.560743 2.556986 5.017303 4.447486 3.050473 3.932857 0.000000 6.700023 7.530780 9.672229 5.331622 3.041458 4.399281 2.555963 6.619284 5.086113 1.560177 3.962296 2.539175 0.000000 3.068840 2.462448 4.751160 2.565681 2.575038 1.516905 3.919513 2.947922 3.946648 5.235101 4.430683 2.998916 5.343460 0.000000 4.520549 4.466179 6.211985 3.139043 1.552012 2.571839 2.628098 3.676514 3.662959 3.395749 3.081929 2.543544 3.871429 3.019800 0.000000 6.495689 6.461307 8.587478 5.162370 2.588610 3.958950 2.973203 6.269128 5.351480 2.597699 4.429554 1.543772 1.541301 4.501426 3.192143 0.000000 2.489703 2.347473 3.531077 2.566799 4.032594 2.993887 5.058537 1.472743 3.940331 6.485701 4.780344 5.075677 7.073847 2.505588 3.759211 6.405347 0.000000 3.029020 1.415339 3.486740 2.884273 3.545385 2.505621 4.859975 2.512841 4.385045 6.215106 5.037990 4.187988 6.485131 1.358551 3.482409 5.607836 1.460525 0.000000 6.588997 8.683312 10.703987 5.299609 3.997317 5.031586 2.548304 6.645881 4.364033 1.557796 3.114643 4.364230 2.508429 6.398546 4.835718 3.910384 7.561435 7.403557 0.000000 6.714516 7.832394 9.608225 5.212871 3.422184 4.885201 2.638736 6.209392 4.638860 1.554669 3.131701 3.915933 2.551427 5.959900 3.415346 3.231650 6.843011 6.723161 2.504744 0.000000 3.631181 2.383396 2.488588 3.909346 5.278200 4.337333 6.361039 2.611897 5.202623 7.730611 6.021833 6.239660 8.302661 3.617059 4.760093 7.527771 1.377686 2.313069 8.854052 7.942230 0.000000 4.573903 1.468461 1.241297 4.793901 5.662933 4.772770 6.977883 3.772238 6.225689 8.275315 6.935723 6.290519 8.590965 3.627430 5.153372 7.593898 2.314526 2.308225 9.518943 8.529017 1.488451 0.000000 4.425170 3.809875 3.104928 4.846634 6.467483 5.580781 7.377770 3.363110 5.907188 8.728979 6.775725 7.569410 9.466163 5.052777 5.828308 8.789384 2.618393 3.790787 9.769668 8.801362 1.498868 2.603641 0.000000 2.848710 4.541744 6.756299 2.139880 2.183276 1.112525 2.713593 3.419625 2.866471 4.107829 3.358415 2.703887 4.330706 2.141363 3.498594 4.075323 3.864324 3.287154 4.884497 5.255655 5.202505 5.574589 6.444580 0.000000 4.289613 6.419594 8.549677 3.102741 2.148708 2.611900 1.116771 4.586975 2.662366 2.140370 2.147632 2.759773 2.759268 4.022756 3.522770 3.318589 5.402892 5.105697 2.603479 3.522564 6.764106 7.341768 7.832916 2.291442 0.000000 2.210803 4.566972 5.441191 2.259070 4.433045 3.599718 4.789302 1.096689 2.830247 6.201707 3.857511 5.866064 7.219381 4.017513 4.229165 6.993796 2.221295 3.495012 6.954049 6.453154 2.957715 4.337718 3.211901 4.350188 5.172953 0.000000 2.708016 6.338479 8.120790 2.130001 3.523415 2.940792 2.839124 3.362163 1.109053 4.184320 2.170873 4.707816 5.198694 4.327383 4.476707 5.619304 4.638550 4.932985 4.301636 5.141107 5.932808 6.885080 6.681127 2.770198 2.504134 3.648558 0.000000 2.713415 6.238670 7.624988 2.161964 4.004442 3.530411 3.512655 2.676045 1.105667 4.798330 2.201769 5.481045 6.054250 4.715693 4.350413 6.348516 4.122765 4.889099 5.088844 5.262091 5.220548 6.430769 5.648189 3.877967 3.713567 2.436862 1.773988 0.000000 4.299446 6.334782 7.875681 2.933042 2.827827 3.453943 2.196975 3.674439 2.190106 2.979459 1.105806 4.260050 4.352305 4.662608 2.736132 4.650650 4.657880 5.057067 3.694187 2.933666 5.758370 6.715441 6.395221 4.066094 3.081142 3.674021 3.087696 2.499796 0.000000 4.664416 7.486448 9.209213 3.494076 3.536227 4.010581 2.192721 4.595950 2.161607 2.762212 1.104919 4.742814 4.232760 5.472550 4.094055 5.022875 5.795153 6.108933 2.683614 3.248982 7.020124 7.995849 7.676476 4.162816 2.539116 4.624506 2.430265 2.544186 1.771340 0.000000 5.382462 4.434541 6.631486 4.314337 2.195770 2.864323 3.523352 5.135123 5.112241 4.067907 4.751961 1.106546 3.496083 2.708384 2.695549 2.179122 4.870208 3.778575 5.445144 4.722675 5.882152 5.693757 7.278589 3.168609 3.777799 6.048967 5.457930 6.089823 4.938328 5.660466 0.000000 5.104868 5.430390 7.757342 4.088698 2.188404 2.663705 2.848269 5.304568 4.563955 3.422094 4.253658 1.111606 2.785875 3.160149 3.491110 2.168544 5.441867 4.489953 4.442253 4.593371 6.666682 6.701050 8.030670 2.338115 2.590196 6.215070 4.563506 5.654771 4.818078 4.960318 1.782215 0.000000 6.691438 7.783033 10.026641 5.462432 3.423449 4.482060 2.852404 6.861142 5.201051 2.184020 4.286387 2.788021 1.111073 5.461133 4.564741 2.166059 7.365465 6.710148 2.615486 3.489670 8.653399 8.922806 9.863169 4.134063 2.595532 7.525162 5.080117 6.224043 4.905319 4.473976 3.783887 2.572495 0.000000 7.770193 8.492029 10.585497 6.372839 4.059752 5.482837 3.517556 7.626542 6.037334 2.187494 4.785705 3.505642 1.108566 6.386172 4.672634 2.189788 8.073507 7.496146 2.792838 2.683633 9.265505 9.536666 10.399370 5.439141 3.772431 8.170803 6.164479 6.947357 5.066736 4.910930 4.343713 3.791025 1.779150 0.000000 4.025035 2.730343 5.092241 3.557610 2.984843 2.256741 4.384458 4.037847 4.838582 5.518833 5.179464 2.814156 5.310962 1.094067 3.542950 4.294331 3.484721 2.128586 6.712677 6.322486 4.435421 4.119892 5.919051 2.526164 4.382489 5.110829 5.096779 5.694911 5.467600 6.184924 2.269945 2.830954 5.345911 6.314689 0.000000 4.145350 4.579337 6.059334 2.810436 2.222620 2.828300 2.918072 3.071148 3.219036 3.829799 2.775539 3.526282 4.639297 3.382750 1.103956 4.192909 3.355704 3.528651 5.100565 3.688833 4.299615 4.977317 5.159198 3.840665 3.852808 3.391677 4.204874 3.664681 2.164365 3.784598 3.728661 4.362714 5.316982 5.423588 4.150470 0.000000 5.565024 5.393042 7.041852 4.130708 2.210303 3.552946 2.911778 4.703620 4.399759 3.136381 3.472471 2.820649 3.538562 4.030163 1.100557 2.897654 4.805775 4.523955 4.637562 2.760740 5.717285 6.060461 6.708917 4.360010 3.916585 5.144830 5.195422 5.057867 2.994194 4.318925 3.031704 3.875519 4.433707 4.124740 4.400605 1.777576 0.000000 4.707894 3.635593 5.352658 3.542594 2.192811 2.803433 3.576010 3.794883 4.411251 4.367341 4.083425 2.763663 4.581173 2.648756 1.104310 3.580424 3.438710 2.916217 5.843180 4.407288 4.260671 4.380385 5.439922 3.778979 4.328402 4.459973 5.201181 5.070504 3.755159 5.135546 2.452829 3.706522 5.222624 5.372597 3.042819 1.778050 1.777676 0.000000 7.297926 6.926365 9.081979 6.056024 3.535643 4.726528 3.984660 7.156579 6.331113 3.545376 5.484249 2.177023 2.179953 5.067234 4.153622 1.107193 7.174142 6.217322 4.677655 4.192399 8.256061 8.158699 9.583907 4.710660 4.147811 7.949185 6.508736 7.361056 5.752128 6.045715 2.494791 2.480803 2.480675 2.517131 4.631671 5.203291 3.862030 4.351416 0.000000 6.863250 6.489437 8.439185 5.462394 2.881744 4.381516 3.380319 6.389230 5.672015 2.899009 4.633825 2.189659 2.191045 4.810684 2.907430 1.107508 6.437840 5.727163 4.340065 2.964799 7.446014 7.505378 8.636879 4.741669 4.008437 7.028041 6.124458 6.570480 4.589907 5.266323 2.510068 3.092691 3.092802 2.525197 4.689895 3.896389 2.290782 3.249342 1.769988 0.000000 6.344198 8.685530 10.794934 5.209345 4.142571 4.903340 2.719499 6.654419 4.293673 2.215394 3.362109 4.412547 2.823914 6.294802 5.258638 4.183524 7.602823 7.382272 1.106779 3.488874 8.947502 9.589530 9.913884 4.519605 2.296860 7.041501 3.959697 5.088211 4.188692 2.940253 5.518986 4.214546 2.479230 3.279635 6.558144 5.556908 5.247743 6.200292 4.839492 4.840961 0.000000 7.672448 9.554269 11.592736 6.361313 4.828682 5.987531 3.511411 7.696263 5.463637 2.196149 4.165660 4.952303 2.665962 7.282836 5.578404 4.178102 8.552288 8.324554 1.106484 2.788870 9.827307 10.431972 10.762077 5.826204 3.581371 8.008181 5.400420 6.171387 4.625520 3.712214 6.003399 5.041241 2.791018 2.496427 7.500051 5.928567 5.206178 6.553411 4.780773 4.550355 1.787180 0.000000 6.571840 9.003358 10.892993 5.325860 4.451211 5.372009 2.911618 6.568844 4.159221 2.226207 2.894354 5.118609 3.495239 6.807449 5.114799 4.790254 7.624196 7.676972 1.104976 2.712176 8.880439 9.695811 9.649468 5.321707 3.094583 6.704866 4.156232 4.671922 3.377738 2.140200 6.171906 5.269324 3.692952 3.756370 7.271045 5.145776 4.944660 6.188596 5.650240 5.083313 1.790919 1.780307 0.000000 6.472073 7.921278 9.541668 5.011446 3.738471 5.015682 2.849542 5.874217 4.262633 2.216313 2.747883 4.587014 3.526029 6.159267 3.554761 4.170696 6.644004 6.762879 2.848321 1.105094 7.696499 8.450679 8.395445 5.479241 3.796194 5.937547 4.874635 4.679806 2.310411 2.743224 5.366911 5.263788 4.360787 3.747353 6.691279 3.484852 3.034380 4.609920 5.193484 3.880801 3.828671 3.299891 2.614324 0.000000 7.764399 8.884628 10.667916 6.275000 4.435546 5.916631 3.571837 7.303259 5.609586 2.187410 4.079484 4.712819 2.847521 6.991220 4.467495 3.745618 7.948717 7.798708 2.630204 1.106639 9.041218 9.605861 9.887037 6.196914 4.301439 7.521235 6.018318 6.204144 3.929039 3.981407 5.528050 5.318093 3.743004 2.537874 7.280334 4.772084 3.713436 5.410053 4.531064 3.468912 3.697141 2.460401 2.850024 1.781204 0.000000 6.829317 7.327947 9.028426 5.312646 3.282983 4.835161 3.028759 6.156952 5.031809 2.230904 3.639830 3.639658 2.772103 5.670838 2.901748 2.907418 6.566032 6.355398 3.490314 1.102676 7.565473 8.021265 8.462976 5.356797 4.007221 6.458399 5.659327 5.671739 3.254790 4.022217 4.234747 4.515176 3.842263 2.903986 5.970178 3.321160 1.997208 3.748026 3.843584 2.297369 4.386114 3.739604 3.790667 1.785003 1.777672 0.000000 4.100988 4.543031 4.175525 4.547640 6.422289 5.549190 7.115338 3.041209 5.382461 8.473894 6.308047 7.680062 9.366188 5.316394 5.844096 8.860027 2.813965 4.202146 9.386958 8.531625 2.166325 3.529583 1.102653 6.383618 7.567214 2.560782 6.161702 4.947667 5.922902 7.110549 7.545483 8.121781 9.754276 10.294168 6.291439 5.031782 6.713596 5.660958 9.734090 8.732633 9.534396 10.404243 9.155940 8.014014 9.604666 8.310377 0.000000 4.905639 4.175483 3.079552 5.581306 7.329117 6.295873 8.261135 4.110291 6.685599 9.666206 7.680760 8.363297 10.359211 5.655365 6.800165 9.656563 3.331175 4.361030 10.676768 9.823371 2.152843 2.875759 1.105608 7.061900 8.623616 4.006198 7.355026 6.411194 7.382200 8.566705 8.027634 8.736781 10.688699 11.324772 6.448576 6.186371 7.718780 6.360017 10.403480 9.561783 10.748059 11.689987 10.571387 9.436187 10.917007 9.499387 1.791195 0.000000 5.355324 4.227642 3.158058 5.561727 6.884368 6.207072 7.838148 4.128205 6.568710 9.076855 7.250590 7.955081 9.805630 5.640976 6.017400 9.064402 3.323725 4.371783 10.193498 8.973365 2.156814 2.928599 1.106005 7.158139 8.412810 3.913126 7.437079 6.304767 6.722760 8.158551 7.602029 8.536219 10.306105 10.673283 6.456811 5.334184 6.775483 5.565999 9.856810 8.779765 10.442662 11.136932 10.062319 8.551874 10.030176 8.537634 1.792868 1.770505 0.000000 C20H26O3 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 0 288.2121999999998 AuxInfo=1/0/N:23,19,20,15,16,11,13,12,9,14,21,18,7,6,17,8,22,10,5,4,3,2,1/E:(2,3)/CRV:10.3,11.3,12.3,15.3,17.3,21.1/rA:49OOO1CCCCCCCCCCC3CCC3C3CCC3C3CHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s1;;s4s5;s5;s1s4;s4;s7;s7s9;s5;s10;s6;s5;s12s13;s8;s2s14s17;s10;s10;s17;s2s3s21;s21;s6;s7;s8;s9;s9;s11;s11;s12;s12;s13;s13;s14;s15;s15;s15;s16;s16;s19;s19;s19;s20;s20;s20;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5762142 0.1545227 0.1383703 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= 18145 NPrTT= 91512 LenC2= 16104 LenP2D= 51417. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 282 RedAO= T EigKep= 4.86D-04 NBF= 282 NBsUse= 282 1.00D-06 EigRej= -1.00D+00 NBFU= 282 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= 274 274 274 275 275 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 0 1 -1001.54603709789 -1001.70791587268 -0.161878774791 -1001.80912539586 -0.101209523181 -1000.81777767214 0.991347723719 -1001.95001321648 -1.132235544339 -1002.00958877510 -0.059575558616 -1002.03806068685 -0.028471911751 -1002.03913244550 -0.001071758650 -1002.03934463041 -0.000212184915 -1002.03935842961 -0.000013799193 -1002.03953979593 -0.000181366321 -1002.03953921630 0.000000579625 -1002.03954036804 -0.000001151734 -1002.03954068203 -0.000000313990 -1002.03954085036 -0.000000168337 -1002.03954086216 -0.000000011799 -1002.03954086247 -0.000000000309 -1002.03954086266 -0.000000000189 -1002.03954086268 -0.000000000021 -1002.03954086 19 9.969991497845e+02 -6.447242245986e+03 2.390640771553e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=807738748. IVT= 261640 IEndB= 261640 NGot= 2818572288 MDV= 2022165993 LenX= 2022165993 LenY= 2022086028 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. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 39903 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. 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= 2818571512 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=807491394. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 39903 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 150 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 147 vectors produced by pass 0 Test12= 1.67D-14 1.00D-09 XBig12= 8.56D+02 2.37D+01. AX will form 147 AO Fock derivatives at one time. 147 vectors produced by pass 1 Test12= 1.67D-14 1.00D-09 XBig12= 4.69D+02 3.81D+00. 147 vectors produced by pass 2 Test12= 1.67D-14 1.00D-09 XBig12= 1.31D+00 1.55D-01. 147 vectors produced by pass 3 Test12= 1.67D-14 1.00D-09 XBig12= 5.74D-04 2.29D-03. 81 vectors produced by pass 4 Test12= 1.67D-14 1.00D-09 XBig12= 8.69D-08 2.43D-05. 8 vectors produced by pass 5 Test12= 1.67D-14 1.00D-09 XBig12= 6.87D-12 2.64D-07. 1 vectors produced by pass 6 Test12= 1.67D-14 1.00D-09 XBig12= 2.54D-15 4.56D-09. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 678 with 150 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 228.07 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 321.925 -4.997 195.028 30.710 4.275 167.253 613.056 -19.099 338.141 129.743 1.174 348.123 (Enter /mnt/data/applications/G09/g09/l716.exe) PT5189.500S Tue Sep 5 07:52:52 2017 -18.81246 -18.78048 -18.76501 -10.02631 -9.97616 -9.97480 -9.97367 -9.94331 -9.94257 -9.93263 -9.92983 -9.92556 -9.91995 -9.91128 -9.91043 -9.91001 -9.90316 -9.89878 -9.89701 -9.89456 -9.88791 -9.88784 -9.88711 -1.01172 -0.97089 -0.95074 -0.79266 -0.77587 -0.75161 -0.72945 -0.71674 -0.68140 -0.67416 -0.65381 -0.63529 -0.62786 -0.61818 -0.61270 -0.58025 -0.56036 -0.55123 -0.52491 -0.51865 -0.50725 -0.47300 -0.47008 -0.45842 -0.44276 -0.43260 -0.42641 -0.41981 -0.41450 -0.40804 -0.40150 -0.39203 -0.38826 -0.38182 -0.37818 -0.37242 -0.36945 -0.36846 -0.36503 -0.35567 -0.34956 -0.34876 -0.34274 -0.33960 -0.33021 -0.32840 -0.32118 -0.31660 -0.31352 -0.30613 -0.30537 -0.29909 -0.29501 -0.29099 -0.28235 -0.27331 -0.25913 -0.25545 -0.24709 -0.23311 -0.22286 -0.21038 -0.11026 -0.01135 0.00402 0.02452 0.05872 0.06299 0.06619 0.07228 0.07789 0.08581 0.08921 0.09075 0.09501 0.09838 0.10579 0.11207 0.11497 0.11598 0.11951 0.12363 0.12865 0.13359 0.13539 0.13794 0.14424 0.14737 0.15603 0.15767 0.16369 0.16509 0.17102 0.17321 0.17579 0.17653 0.17852 0.18236 0.18801 0.19125 0.19655 0.19861 0.20414 0.20897 0.21605 0.21856 0.22206 0.22746 0.23116 0.23797 0.24335 0.25193 0.25497 0.26257 0.26652 0.26813 0.27901 0.28532 0.29440 0.29897 0.30237 0.31130 0.31490 0.31980 0.32351 0.32927 0.33165 0.33921 0.34573 0.35000 0.35377 0.35846 0.36956 0.37211 0.37401 0.38396 0.38931 0.39430 0.39639 0.40783 0.41136 0.41778 0.42810 0.43699 0.44330 0.45202 0.46243 0.46735 0.47410 0.47827 0.48294 0.49580 0.50072 0.50162 0.51375 0.52078 0.52425 0.53165 0.53968 0.55107 0.55843 0.56753 0.57561 0.58245 0.60108 0.61395 0.62446 0.62859 0.65254 0.66638 0.68181 0.71380 0.72570 0.74076 0.75614 0.76293 0.78729 0.80162 0.81749 0.82081 0.83911 0.84142 0.84965 0.85501 0.86259 0.87065 0.89826 0.90735 0.91661 0.93484 0.94129 0.94807 0.96652 0.97038 0.98441 1.00104 1.01470 1.02426 1.03034 1.04300 1.06096 1.07360 1.08166 1.08647 1.09914 1.10846 1.11257 1.12340 1.13398 1.14329 1.15666 1.15881 1.16865 1.18143 1.18923 1.19801 1.21753 1.23343 1.24167 1.24986 1.28430 1.28889 1.30672 1.32795 1.33994 1.35279 1.36570 1.37930 1.43886 1.45177 1.47681 1.51860 1.55908 1.69196 1.71368 1.76591 22.32477 22.46403 22.48558 22.53579 22.54037 22.58447 22.59946 22.61376 22.62096 22.63827 22.64885 22.66222 22.67913 22.68552 22.69340 22.71800 22.73523 22.74755 22.76080 22.78974 41.52772 41.54045 41.55639 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 O C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.284528 -0.259930 -0.176598 0.371050 0.406568 -0.273541 -0.048318 -0.458669 -0.589415 0.318339 -0.515839 -0.495697 -0.440243 -0.357656 -0.816404 -0.457865 0.307979 0.199402 -0.773082 -0.773030 0.068150 0.054233 -0.778085 0.238343 0.176564 0.247642 0.224770 0.228274 0.223090 0.217912 0.221479 0.196711 0.192485 0.201658 0.259078 0.221788 0.227365 0.239144 0.204854 0.210768 0.213885 0.218332 0.213637 0.228789 0.214549 0.216373 0.226651 0.257047 0.251994 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 O O O C C C C C C C C C C C C C C C C C C C C -0.284528 -0.259930 -0.176598 0.371050 0.406568 -0.035198 0.128245 -0.211027 -0.136371 0.318339 -0.074836 -0.077507 -0.046100 -0.098578 -0.128108 -0.042244 0.307979 0.199402 -0.127229 -0.113319 0.068150 0.054233 -0.042394 0.00000 -2.40419053e+00 1.08291969e+00 6.96040509e-01 3.21925499e+02 -4.99737307e+00 1.95028153e+02 3.07101139e+01 4.27503440e+00 1.67253143e+02 -5.7130 -2.5549 -0.0004 -0.0003 0.0004 16.4663 37.4518 51.3505 80.8652 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 37.4182 51.2565 80.8338 88.1742 106.2003 116.5244 151.1394 167.7101 184.3452 195.8451 214.9719 229.9411 244.2309 262.6629 269.4941 275.2572 293.8807 301.8354 307.3236 312.1298 333.0700 348.0246 366.2333 370.8506 390.8984 402.0731 426.2030 435.1400 462.3476 483.6050 499.6720 526.4117 539.7262 555.8590 562.5856 611.9434 637.8073 651.9107 660.6134 702.1568 713.8646 734.3273 743.4614 757.1944 774.3090 808.6959 827.8612 837.8652 847.1647 863.4146 882.1433 892.3203 908.8347 928.7941 931.2942 941.6600 950.4225 971.1533 976.3538 986.7400 1006.1751 1020.1647 1036.6572 1040.7483 1054.9349 1057.5120 1072.9909 1085.5666 1093.9154 1104.3053 1118.0152 1140.3903 1151.4857 1175.9868 1186.2612 1188.1957 1200.1419 1206.3447 1215.1573 1228.3270 1235.0867 1270.4357 1280.5311 1298.0213 1306.4994 1314.7061 1325.5787 1330.7415 1332.3193 1338.2557 1341.6260 1349.3334 1361.1714 1377.0323 1384.8721 1393.2021 1402.4871 1402.9288 1418.9083 1454.1277 1454.7584 1461.2513 1463.6180 1463.9730 1464.8591 1468.1012 1474.4116 1479.7354 1486.3966 1490.5343 1500.5796 1503.0694 1653.1086 1669.9877 1706.5672 2901.7668 2948.0780 2951.9359 2953.0591 2968.1529 2980.0951 2981.4483 2982.7728 2984.3836 2997.1437 3002.2419 3014.7223 3025.0916 3037.5748 3042.3932 3055.9214 3059.7813 3061.0641 3065.5595 3072.8473 3079.2654 3088.7360 3096.9815 3109.0329 3109.5968 3164.2564 4.5839 3.7105 2.6704 1.2897 3.0399 2.9344 3.6285 2.7795 1.5015 3.0571 1.7289 2.4502 1.3178 3.3879 2.6362 2.4773 2.7156 2.2285 2.1230 2.8945 3.2773 3.5315 3.3673 3.0205 3.1442 2.4812 2.7623 3.5513 2.9656 3.9886 3.0590 3.5713 2.2806 4.5032 4.0872 4.7799 3.1081 5.7225 6.8800 6.4681 3.4563 5.3315 6.7741 3.4121 3.2604 4.2253 2.1942 2.2700 1.6181 1.8313 2.1137 2.3557 2.0111 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