Gaussian 09 GINC-KIMIK2032 CBGUSER 000294287 EM64L-G09RevD.01 23-Apr-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 338.1604191999998 0 1 AuxInfo=1/0/N:18,15,16,12,13,20,17,10,21,14,22,11,9,19,23,24,1,2,3,4,5,6,8,7/E:(2,3)(15,16)(17,18,19,20,21,22)/CRV:6.3,7.3,10.3,11.3,12.3,23.1/rA:44FFFFFFOO1CCC3CCC3CCC3CCC3CC3CCHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s12;s11s13;s9;s9;s11;s14;s7;s17;s19;s8s20s21;s1s2s3s19;s4s5s6s19;s10;s10;s12;s12;s13;s13;s15;s15;s15;s16;s16;s16;s17;s18;s18;s18;s20;s21;s21;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-30217.inp" -scrdir="/scratch/" chk=000294287.chk nprocshared=4 mem=7GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=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=-1,11=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=-1,11=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 000294287 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 19 19 19 19 19 19 16 16 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 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 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 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 1 1 1 1 1 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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 1 2 3 4 5 6 7 7 8 9 9 9 9 10 10 10 11 11 12 12 12 13 13 13 14 15 15 15 16 16 16 17 17 18 18 18 19 19 19 20 20 21 21 21 23 23 23 24 24 24 19 44 22 10 11 15 16 12 25 26 14 17 13 27 28 14 29 30 18 31 32 33 34 35 36 20 37 38 39 40 21 23 24 22 41 22 42 43 1.3379 1.3377 1.3425 1.3391 1.3405 1.3383 1.4078 0.9908 1.2093 1.5512 1.5288 1.5411 1.5418 1.5301 1.1071 1.1049 1.3464 1.4742 1.5331 1.1059 1.1078 1.5045 1.1113 1.109 1.4978 1.0953 1.0949 1.0941 1.095 1.0956 1.095 1.3436 1.1 1.1005 1.0991 1.0971 1.5275 1.5693 1.5775 1.4725 1.0889 1.5393 1.1091 1.1224 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 19 10 10 10 11 11 15 9 9 9 12 12 25 9 9 14 10 10 10 13 13 27 12 12 12 14 14 29 11 11 13 9 9 9 31 31 32 9 9 9 34 34 35 11 11 20 14 14 14 38 38 39 7 7 7 21 21 23 17 17 22 19 19 19 22 22 42 8 8 20 1 1 1 2 2 3 4 4 4 5 5 6 7 9 9 9 9 9 9 10 10 10 10 10 10 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 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 44 11 15 16 15 16 16 12 25 26 25 26 26 14 17 17 13 27 28 27 28 28 14 29 30 29 30 30 13 18 18 31 32 33 32 33 33 34 35 36 35 36 36 20 37 37 38 39 40 39 40 40 21 23 24 23 24 24 22 41 41 22 42 43 42 43 43 20 21 21 2 3 19 3 19 19 5 6 19 6 19 19 113.6875 110.324 110.0338 108.2378 108.6463 110.1377 109.4533 111.6826 109.5038 109.8142 109.5382 110.2447 105.8894 123.7365 114.9319 121.3316 110.542 110.2381 109.9984 110.0381 109.8876 106.0413 112.9183 109.8316 109.6437 108.4373 110.0455 105.7054 123.1916 122.1371 114.6688 111.1576 111.4541 111.4288 107.4223 107.7484 107.426 111.2682 111.9456 111.5624 106.794 107.5316 107.4816 123.8708 115.0576 121.0694 110.5862 112.5534 112.7707 106.8005 107.138 106.6382 105.4324 109.5658 108.0912 113.4835 109.7556 110.2801 120.9378 121.3074 117.7515 115.8961 111.251 107.7208 109.7281 105.7441 105.8524 124.0013 120.1599 115.7423 104.986 103.7014 113.1753 104.1379 115.1578 114.4619 104.4807 104.4727 115.1132 103.9547 114.0587 113.5541 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 44 44 44 11 11 11 15 15 15 16 16 16 10 10 15 15 16 16 10 10 10 11 11 11 16 16 16 10 10 10 11 11 11 15 15 15 9 9 9 25 25 25 26 26 26 9 9 17 17 9 9 14 14 10 10 10 27 27 27 28 28 28 12 12 29 29 30 30 11 11 11 13 13 13 11 11 37 37 7 7 7 23 23 23 24 24 24 7 7 7 21 21 21 24 24 24 7 7 7 21 21 21 23 23 23 17 17 41 41 19 19 42 42 43 43 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 17 17 17 17 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 21 21 21 19 19 19 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 12 12 12 12 12 12 12 12 12 14 14 14 14 17 17 17 17 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 18 18 18 18 18 18 20 20 20 20 21 21 21 21 21 21 21 21 21 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 22 22 22 22 22 22 22 22 22 22 21 23 24 12 25 26 12 25 26 12 25 26 14 17 14 17 14 17 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 13 27 28 13 27 28 13 27 28 13 18 13 18 20 37 20 37 14 29 30 14 29 30 14 29 30 11 18 11 18 11 18 38 39 40 38 39 40 22 41 22 41 22 42 43 22 42 43 22 42 43 1 2 3 1 2 3 1 2 3 4 5 6 4 5 6 4 5 6 8 21 8 21 8 20 8 20 8 20 -176.1457 -53.6772 66.5273 45.9142 -75.5949 168.5344 -73.9514 164.5394 48.6687 166.4848 44.9756 -70.8951 -16.6691 163.39 104.0306 -75.9104 -136.0944 43.9647 62.4386 -177.7563 -57.7629 -58.44 61.3651 -178.6415 -178.7402 -58.9351 61.0583 53.5815 172.9947 -66.5104 174.268 -66.3188 54.1761 -66.3469 53.0663 173.5612 -61.1237 176.9964 60.4073 60.3656 -61.5144 -178.1035 176.5026 54.6226 -61.9665 1.3501 -179.2576 -178.7126 0.6797 92.3448 -87.1232 -87.5977 92.9343 44.1003 -77.0644 167.1969 166.0979 44.9333 -70.8055 -77.4961 161.3393 45.6005 -15.1743 165.392 106.778 -72.6558 -138.0475 42.5187 83.8576 -35.5037 -156.2057 -96.702 143.9368 23.2347 -178.5184 0.8128 0.919 -179.7498 72.3196 -161.4226 -45.8307 -47.5961 78.6617 -165.7464 -171.4848 -45.2271 70.3649 -49.3594 -170.1444 69.1831 68.178 -52.6071 -173.2795 -168.2193 70.9956 -49.6768 -175.7889 -55.0122 63.8515 69.706 -169.5173 -50.6536 -56.0332 64.7435 -176.3928 9.2364 -174.3425 -170.118 6.3032 -86.3097 97.1216 146.6674 -29.9013 32.9264 -143.6423 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 251 264 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 44 44 44 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= 17020 NPrTT= 87300 LenC2= 14236 LenP2D= 44344. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 280 RedAO= T EigKep= 8.69D-04 NBF= 280 NBsUse= 280 1.00D-06 EigRej= -1.00D+00 NBFU= 280 Using GEDIIS/GDIIS optimizer. local minimum Step number 17 out of a maximum of 251 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00173 0.00229 0.00242 0.00286 0.00348 0.00415 0.00541 0.00604 0.00716 0.00740 0.01052 0.01178 0.01439 0.01575 0.01966 0.02023 0.02296 0.02933 0.03016 0.03159 0.03536 0.04139 0.04205 0.04636 0.04828 0.05088 0.05187 0.05208 0.05371 0.05388 0.05482 0.05602 0.05784 0.05858 0.06601 0.06816 0.06860 0.06947 0.07323 0.07689 0.07785 0.08169 0.08277 0.08334 0.08723 0.09212 0.09690 0.09866 0.09909 0.11956 0.12937 0.13372 0.15328 0.15526 0.15808 0.15900 0.15992 0.16000 0.16001 0.16004 0.16011 0.16018 0.16126 0.16223 0.16318 0.17345 0.18214 0.18965 0.20530 0.21840 0.22275 0.23089 0.24733 0.24977 0.25001 0.25069 0.25104 0.25439 0.26065 0.26246 0.26997 0.27332 0.27862 0.28179 0.28282 0.28399 0.28547 0.28922 0.30122 0.31166 0.31509 0.32446 0.32491 0.32682 0.32715 0.32845 0.32923 0.33034 0.33150 0.33403 0.33631 0.33762 0.33870 0.34085 0.34150 0.34214 0.34245 0.34247 0.34323 0.34674 0.34924 0.35097 0.37138 0.38891 0.43981 0.45288 0.47259 0.49579 0.55951 0.56522 0.57067 0.57531 0.57644 0.58019 0.59350 0.96870 RFO step: Lambda=-3.22137968D-07. 1 2 3 0.00205206 0.00000197 0.00000000 0.00000101 0.00000011 0.00000011 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 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 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 2.65005 2.66636 2.67628 2.66079 2.67513 2.65368 2.72847 1.87972 2.39572 2.94236 2.94632 2.94452 2.94818 2.90643 2.09701 2.09223 2.62187 2.76965 2.90515 2.09026 2.09241 2.87582 2.10228 2.09721 2.86853 2.08857 2.08907 2.09101 2.09077 2.08626 2.08914 2.60411 2.07887 2.09593 2.08236 2.09095 2.92843 2.96563 2.97468 2.79266 2.06696 2.93151 2.08718 2.08310 1.93302 1.94619 1.91668 1.86620 1.90449 1.93335 1.89613 1.96795 1.90280 1.89321 1.89506 1.93774 1.86400 2.13190 1.99845 2.15269 1.89775 1.93307 1.92482 1.92451 1.91750 1.86625 1.98494 1.91805 1.93564 1.89492 1.88851 1.83527 2.13434 2.17462 1.97369 1.94599 1.94028 1.92512 1.87724 1.88955 1.88345 1.90519 1.97234 1.94096 1.86679 1.88496 1.89027 2.26836 2.03346 1.98008 1.94740 1.97248 1.91331 1.87792 1.85489 1.89330 1.88787 1.91244 1.89750 1.95529 1.89847 1.91130 2.10098 2.13178 2.04913 2.03045 1.89013 1.84815 1.92543 1.86190 1.90320 2.15856 2.07949 2.04321 1.86925 1.85658 1.93993 1.86727 1.97646 1.94796 1.87518 1.86985 1.97554 1.85476 1.94219 1.94031 3.07161 -1.07548 1.01284 0.73239 -1.37366 2.88591 -1.38084 2.79629 0.77268 2.84815 0.74210 -1.28151 -0.13096 2.99290 1.98937 -1.16997 -2.20715 0.91671 1.00650 3.10114 -1.09347 -1.13164 0.96300 3.05158 3.04198 -1.14657 0.94201 0.84964 2.92453 -1.22836 2.97352 -1.23478 0.89552 -1.21799 0.85690 2.98720 -1.09393 3.07198 1.00957 1.01654 -1.10073 3.12005 3.06066 0.94339 -1.11902 -0.10339 3.00091 3.05753 -0.12136 2.66361 -0.41928 -0.49596 2.70433 0.83619 -1.29210 2.96934 2.95870 0.83040 -1.19134 -1.27183 2.88306 0.86132 -0.26503 2.90993 1.87603 -1.23219 -2.42400 0.75097 1.66700 -0.45206 -2.56625 -1.50887 2.65526 0.54107 -3.12133 -0.03603 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0.00002 0.00011 0.00011 -0.00024 0.00007 -0.00029 0.00009 -0.00001 0.00010 0.00003 0.00006 0.00005 0.00013 -0.00006 -0.00012 -0.00008 0.00040 -0.00028 -0.00014 0.00004 -0.00011 -0.00001 -0.00005 0.00010 0.00004 0.00014 -0.00011 0.00008 -0.00022 0.00031 -0.00018 -0.00003 0.00004 -0.00007 -0.00029 -0.00018 0.00007 0.00007 0.00021 0.00015 0.00015 0.00003 -0.00018 0.00010 0.00012 -0.00011 0.00007 0.00000 -0.00016 -0.00011 0.00001 -0.00003 0.00004 -0.00011 0.00020 0.00015 -0.00010 -0.00034 0.00088 0.00084 0.00091 0.00134 0.00129 0.00136 0.00125 0.00120 0.00127 -0.00159 -0.00154 -0.00161 -0.00156 -0.00169 -0.00164 0.00059 0.00044 0.00035 0.00080 0.00064 0.00056 0.00064 0.00049 0.00040 -0.00109 -0.00109 -0.00106 -0.00099 -0.00099 -0.00095 -0.00135 -0.00135 -0.00132 0.00031 0.00044 0.00047 0.00021 0.00034 0.00037 0.00032 0.00045 0.00048 0.00119 0.00049 0.00114 0.00044 0.00119 0.00156 0.00124 0.00161 -0.00084 -0.00057 -0.00068 -0.00093 -0.00066 -0.00077 -0.00092 -0.00066 -0.00076 0.00008 0.00070 0.00005 0.00067 -0.00013 0.00049 -0.00094 -0.00083 -0.00080 -0.00157 -0.00147 -0.00143 0.00074 -0.00044 0.00038 -0.00081 0.00052 0.00025 0.00038 0.00070 0.00043 0.00056 0.00086 0.00059 0.00072 -0.00027 -0.00032 -0.00030 -0.00030 -0.00036 -0.00034 -0.00018 -0.00024 -0.00022 -0.00041 -0.00066 -0.00055 -0.00079 -0.00104 -0.00093 -0.00061 -0.00085 -0.00074 -0.00050 -0.00038 0.00063 0.00075 0.00150 0.00138 0.00191 0.00179 0.00156 0.00144 0.00005 0.00000 0.00029 0.00013 -0.00004 0.00008 -0.00005 0.00004 0.00009 -0.00002 -0.00017 0.00012 -0.00016 -0.00010 0.00000 0.00000 0.00014 -0.00022 -0.00007 0.00000 -0.00006 0.00008 0.00004 -0.00005 0.00001 -0.00004 0.00005 0.00000 -0.00001 0.00002 0.00001 0.00005 0.00007 -0.00003 -0.00005 0.00000 0.00029 -0.00014 -0.00005 -0.00001 0.00004 -0.00009 -0.00010 0.00005 -0.00030 -0.00006 0.00028 0.00001 -0.00052 0.00032 -0.00001 0.00010 -0.00018 -0.00008 0.00010 -0.00002 0.00008 -0.00009 -0.00006 0.00014 0.00011 -0.00007 -0.00004 -0.00013 0.00011 0.00002 0.00026 0.00006 0.00008 -0.00039 -0.00005 0.00002 0.00009 0.00017 -0.00029 0.00007 -0.00032 0.00009 0.00000 0.00011 0.00005 0.00009 -0.00001 0.00015 -0.00003 -0.00012 -0.00008 0.00030 -0.00025 -0.00007 0.00003 -0.00007 -0.00004 -0.00002 0.00008 0.00004 0.00020 -0.00009 0.00006 -0.00024 0.00028 -0.00019 0.00000 -0.00002 -0.00003 -0.00032 -0.00023 0.00005 0.00010 0.00026 0.00016 0.00013 0.00008 -0.00021 0.00008 0.00010 -0.00009 0.00009 0.00004 -0.00019 -0.00010 0.00000 0.00000 0.00006 -0.00014 0.00018 0.00009 -0.00013 -0.00039 0.00110 0.00103 0.00108 0.00161 0.00154 0.00159 0.00146 0.00140 0.00144 -0.00189 -0.00215 -0.00193 -0.00219 -0.00207 -0.00234 0.00070 0.00053 0.00045 0.00093 0.00077 0.00068 0.00087 0.00070 0.00062 -0.00093 -0.00092 -0.00093 -0.00081 -0.00079 -0.00080 -0.00127 -0.00125 -0.00126 0.00031 0.00045 0.00049 0.00021 0.00035 0.00040 0.00036 0.00050 0.00054 0.00135 0.00036 0.00164 0.00065 0.00080 0.00129 0.00053 0.00102 -0.00098 -0.00069 -0.00080 -0.00108 -0.00079 -0.00090 -0.00107 -0.00078 -0.00089 0.00015 0.00103 0.00011 0.00099 -0.00008 0.00079 -0.00002 0.00004 0.00007 -0.00092 -0.00086 -0.00083 0.00074 -0.00046 0.00025 -0.00094 0.00042 0.00013 0.00024 0.00054 0.00026 0.00036 0.00075 0.00047 0.00057 0.00006 -0.00001 0.00000 0.00009 0.00003 0.00003 0.00016 0.00010 0.00010 -0.00062 -0.00085 -0.00075 -0.00105 -0.00128 -0.00118 -0.00081 -0.00104 -0.00093 -0.00065 -0.00066 0.00049 0.00048 0.00080 0.00080 0.00127 0.00127 0.00086 0.00086 2.65010 2.66636 2.67657 2.66092 2.67509 2.65376 2.72842 1.87976 2.39582 2.94234 2.94616 2.94464 2.94802 2.90633 2.09702 2.09224 2.62201 2.76944 2.90508 2.09026 2.09235 2.87590 2.10233 2.09716 2.86854 2.08854 2.08912 2.09102 2.09077 2.08627 2.08915 2.60417 2.07894 2.09590 2.08231 2.09095 2.92872 2.96549 2.97463 2.79265 2.06699 2.93142 2.08708 2.08315 1.93272 1.94613 1.91696 1.86621 1.90396 1.93367 1.89612 1.96804 1.90262 1.89313 1.89516 1.93771 1.86408 2.13181 1.99839 2.15284 1.89786 1.93300 1.92478 1.92438 1.91761 1.86627 1.98520 1.91811 1.93571 1.89453 1.88846 1.83530 2.13443 2.17480 1.97340 1.94606 1.93997 1.92521 1.87724 1.88966 1.88350 1.90528 1.97232 1.94111 1.86676 1.88483 1.89019 2.26865 2.03321 1.98001 1.94743 1.97241 1.91327 1.87789 1.85497 1.89333 1.88807 1.91235 1.89756 1.95505 1.89875 1.91110 2.10098 2.13175 2.04910 2.03014 1.88991 1.84820 1.92553 1.86215 1.90336 2.15869 2.07956 2.04300 1.86933 1.85668 1.93984 1.86736 1.97649 1.94777 1.87507 1.86985 1.97554 1.85482 1.94206 1.94049 3.07170 -1.07561 1.01245 0.73349 -1.37263 2.88699 -1.37923 2.79783 0.77427 2.84962 0.74350 -1.28007 -0.13284 2.99075 1.98744 -1.17215 -2.20922 0.91437 1.00720 3.10167 -1.09302 -1.13071 0.96377 3.05226 3.04284 -1.14587 0.94263 0.84870 2.92361 -1.22928 2.97271 -1.23557 0.89472 -1.21925 0.85565 2.98595 -1.09362 3.07243 1.01007 1.01676 -1.10038 3.12045 3.06102 0.94389 -1.11848 -0.10204 3.00127 3.05916 -0.12071 2.66441 -0.41799 -0.49543 2.70535 0.83521 -1.29280 2.96853 2.95762 0.82961 -1.19225 -1.27290 2.88228 0.86043 -0.26488 2.91096 1.87614 -1.23120 -2.42408 0.75176 1.66698 -0.45202 -2.56618 -1.50979 2.65440 0.54024 -3.12059 -0.03649 -0.03674 3.04737 1.06547 -3.03854 -0.99922 -1.04407 1.13511 -3.10875 3.12395 -0.98006 1.05927 -0.84909 -2.95430 1.22044 1.24633 -0.85887 -2.96732 -2.92883 1.24915 -0.85930 -2.91544 -0.80183 1.26206 1.31527 -2.85430 -0.79041 -0.82660 1.28702 -2.93228 -0.04039 3.03381 -3.12715 -0.05295 -1.52585 1.67995 2.59643 -0.48096 0.53119 -2.54620 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000101 0.000026 0.008735 0.002052 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -5.685810e-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 1 2 3 4 5 6 7 7 8 9 9 9 9 10 10 10 11 11 12 12 12 13 13 13 14 15 15 15 16 16 16 17 17 18 18 18 19 19 19 20 20 21 21 21 23 23 23 24 24 24 19 44 22 10 11 15 16 12 25 26 14 17 13 27 28 14 29 30 18 31 32 33 34 35 36 20 37 38 39 40 21 23 24 22 41 22 42 43 1.4023 1.411 1.4162 1.408 1.4156 1.4043 1.4438 0.9947 1.2678 1.557 1.5591 1.5582 1.5601 1.538 1.1097 1.1072 1.3874 1.4656 1.5373 1.1061 1.1073 1.5218 1.1125 1.1098 1.518 1.1052 1.1055 1.1065 1.1064 1.104 1.1055 1.378 1.1001 1.1091 1.1019 1.1065 1.5497 1.5693 1.5741 1.4778 1.0938 1.5513 1.1045 1.1023 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-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 = 0.0001|-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 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 19 10 10 10 11 11 15 9 9 9 12 12 25 9 9 14 10 10 10 13 13 27 12 12 12 14 14 29 11 11 13 9 9 9 31 31 32 9 9 9 34 34 35 11 11 20 14 14 14 38 38 39 7 7 7 21 21 23 17 17 22 19 19 19 22 22 42 8 8 20 1 1 1 2 2 3 4 4 4 5 5 6 7 9 9 9 9 9 9 10 10 10 10 10 10 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 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 44 11 15 16 15 16 16 12 25 26 25 26 26 14 17 17 13 27 28 27 28 28 14 29 30 29 30 30 13 18 18 31 32 33 32 33 33 34 35 36 35 36 36 20 37 37 38 39 40 39 40 40 21 23 24 23 24 24 22 41 41 22 42 43 42 43 43 20 21 21 2 3 19 3 19 19 5 6 19 6 19 19 110.7538 111.5085 109.8175 106.9252 109.1191 110.7727 108.6402 112.755 109.0223 108.4731 108.5789 111.0241 106.7993 122.1487 114.5028 123.3402 108.7332 110.7568 110.2839 110.2664 109.8647 106.9281 113.7289 109.8964 110.9039 108.5709 108.2035 105.1535 122.2888 124.5967 113.0844 111.4969 111.17 110.3012 107.5578 108.2631 107.9136 109.1595 113.0065 111.2088 106.9594 108.0 108.3046 129.9672 116.5089 113.4501 111.5778 113.015 109.6246 107.5966 106.2774 108.4778 108.1669 109.5748 108.7189 112.03 108.7744 109.5092 120.3771 122.1418 117.4064 116.3364 108.2966 105.891 110.3188 106.6788 109.0453 123.6763 119.1457 117.0675 107.0999 106.3744 111.1499 106.9868 113.2426 111.6096 107.4397 107.1348 113.1901 106.2697 111.2795 111.1713 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-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 = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-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 44 44 44 11 11 11 15 15 15 16 16 16 10 10 15 15 16 16 10 10 10 11 11 11 16 16 16 10 10 10 11 11 11 15 15 15 9 9 9 25 25 25 26 26 26 9 9 17 17 9 9 14 14 10 10 10 27 27 27 28 28 28 12 12 29 29 30 30 11 11 11 13 13 13 11 11 37 37 7 7 7 23 23 23 24 24 24 7 7 7 21 21 21 24 24 24 7 7 7 21 21 21 23 23 23 17 17 41 41 19 19 42 42 43 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 17 17 17 17 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 21 21 19 19 19 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 12 12 12 12 12 12 12 12 12 14 14 14 14 17 17 17 17 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 18 18 18 18 18 18 20 20 20 20 21 21 21 21 21 21 21 21 21 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 22 22 22 22 22 22 22 22 22 21 23 24 12 25 26 12 25 26 12 25 26 14 17 14 17 14 17 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 13 27 28 13 27 28 13 27 28 13 18 13 18 20 37 20 37 14 29 30 14 29 30 14 29 30 11 18 11 18 11 18 38 39 40 38 39 40 22 41 22 41 22 42 43 22 42 43 22 42 43 1 2 3 1 2 3 1 2 3 4 5 6 4 5 6 4 5 6 8 21 8 21 8 20 8 20 8 175.9902 -61.6205 58.0315 41.9631 -78.705 165.3506 -79.1162 160.2157 44.2713 163.1873 42.5192 -73.4252 -7.5032 171.4803 113.9824 -67.0341 -126.4601 52.5233 57.6682 177.6822 -62.651 -64.8383 55.1758 174.8425 174.2925 -65.6934 53.9733 48.6807 167.563 -70.3796 170.37 -70.7477 51.3096 -69.7855 49.0968 171.1541 -62.6777 176.0115 57.8443 58.2437 -63.0671 178.7657 175.3629 54.0522 -64.115 -5.9238 171.9392 175.1834 -6.9536 152.6135 -24.023 -28.4167 154.9468 47.9101 -74.0322 170.1304 169.5208 47.5785 -68.259 -72.8704 165.1873 49.3498 -15.1851 166.727 107.4885 -70.5994 -138.8847 43.0274 95.5119 -25.9012 -147.0355 -86.4517 152.1352 31.0008 -178.8388 -2.0641 -2.1195 174.6552 61.023 -174.1031 -57.2645 -59.8518 65.022 -178.1394 178.9463 -56.1799 60.6588 -48.6527 -169.2684 69.9264 71.404 -49.2116 -170.0168 -167.8188 71.5656 -49.2397 -167.007 -45.8926 72.3536 75.4197 -163.4659 -45.2198 -47.3142 73.8002 -167.9536 -2.2767 173.8623 -179.2005 -3.0616 -87.4707 96.2079 148.6919 -27.6294 30.3853 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 338.1604191999998 AuxInfo=1/0/N:18,15,16,12,13,20,17,10,21,14,22,11,9,19,23,24,1,2,3,4,5,6,8,7/E:(2,3)(15,16)(17,18,19,20,21,22)/CRV:6.3,7.3,10.3,11.3,12.3,23.1/rA:44FFFFFFOO1CCC3CCC3CCC3CCC3CC3CCHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s12;s11s13;s9;s9;s11;s14;s7;s17;s19;s8s20s21;s1s2s3s19;s4s5s6s19;s10;s10;s12;s12;s13;s13;s15;s15;s15;s16;s16;s16;s17;s18;s18;s18;s20;s21;s21;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.122440 0.000000 2.107875 2.114025 0.000000 4.283814 2.915491 3.296089 0.000000 4.198170 3.731030 2.750731 2.118412 0.000000 4.852089 4.317482 4.201391 2.116557 2.110252 0.000000 2.781732 3.633148 2.973840 3.628953 2.823166 2.889431 0.000000 3.374184 4.388401 5.014898 5.395592 5.653438 4.961136 3.191282 0.000000 6.064268 5.956770 7.739420 7.858035 9.122110 8.554777 7.606423 5.093829 0.000000 7.190701 7.037650 8.833339 9.122379 10.422704 9.985399 8.998629 6.552484 1.551233 0.000000 4.683270 4.765526 6.416050 7.006036 8.068708 7.784970 6.535209 4.319892 1.528750 2.527991 0.000000 7.101365 6.711221 8.532514 8.968446 10.311325 10.122056 9.201632 7.171434 2.549760 1.530068 2.872252 0.000000 6.077331 5.907068 7.525732 8.468427 9.580568 9.659423 8.439499 6.670774 3.019217 2.517451 2.508811 1.533061 0.000000 4.698165 4.738717 6.304647 7.314025 8.302670 8.341113 6.981363 5.198316 2.536947 2.859188 1.346393 2.531831 1.504499 0.000000 6.331905 5.758838 7.721390 7.217406 8.749556 7.993082 7.580284 5.337921 1.541068 2.533594 2.493682 3.157969 3.874251 3.441956 0.000000 6.575597 6.809905 8.411290 8.511696 9.618452 8.852090 7.755598 4.835094 1.541832 2.506116 2.517399 3.869101 4.294984 3.683160 2.516899 0.000000 3.703315 4.123984 5.563080 6.157404 7.016756 6.639251 5.210767 2.848701 2.531841 3.854913 1.474162 4.339298 3.868340 2.459691 3.154933 2.878284 0.000000 3.743323 4.051100 5.273549 6.878780 7.574261 7.958233 6.334966 5.121491 3.924574 4.345623 2.490292 3.873047 2.527424 1.497778 4.713006 4.905828 2.909733 0.000000 2.430033 2.457009 2.451524 2.464689 2.451462 2.442726 1.407836 3.273386 6.869509 8.236091 5.831519 8.316610 7.633528 6.243599 6.658041 7.240563 4.653262 5.687347 0.000000 3.111602 3.165893 4.697936 4.862038 5.827716 5.347947 4.242182 2.371123 3.393332 4.807903 2.487167 5.140815 4.714639 3.317206 3.432740 3.825363 1.343560 3.501376 3.492681 0.000000 3.083635 2.985417 3.785657 3.068349 3.741258 2.871442 2.336635 2.387928 5.828446 7.292781 5.034913 7.580286 7.129144 5.735466 5.509127 6.060384 3.801241 5.542971 1.527531 2.550771 0.000000 2.868113 3.366375 4.352579 4.442434 5.035925 4.381561 3.040606 1.209305 4.674156 6.146498 3.837071 6.586705 6.109495 4.656381 4.684638 4.757345 2.451040 4.590068 2.599326 1.472494 1.539269 0.000000 1.337854 1.337674 1.342540 2.979500 3.040635 3.785777 2.434022 3.820604 6.545375 7.734025 5.291622 7.578932 6.694166 5.377429 6.500201 7.153826 4.342196 4.559244 1.569303 3.388817 2.589695 3.046707 0.000000 3.774748 3.113942 2.912452 1.339056 1.340489 1.338287 2.418655 4.688761 8.004735 9.356049 7.068284 9.342513 8.744501 7.448974 7.549886 8.465883 6.001886 6.917520 1.577524 4.738696 2.539870 3.956938 2.582138 0.000000 7.467084 7.599581 9.245848 9.823083 10.966670 10.587936 9.336279 6.759085 2.186021 1.107082 2.900220 2.167889 2.759226 3.120201 3.477664 2.616797 4.133333 4.488571 8.708930 5.278865 7.806912 6.525572 8.172015 9.941465 0.000000 8.127942 7.847665 9.721107 9.726862 11.147414 10.560555 9.776979 7.251950 2.188362 1.104850 3.477329 2.175254 3.479971 3.920726 2.685034 2.833420 4.696971 5.415678 8.977957 5.542896 7.927630 6.844269 8.584694 10.021477 1.765243 0.000000 8.103576 7.713890 9.506613 10.001164 11.354508 11.207778 10.278123 8.237522 3.510085 2.175949 3.925355 1.105888 2.176028 3.469013 4.102278 4.670583 5.398845 4.693235 9.396235 6.241601 8.684079 7.682847 8.605974 10.409740 2.518734 2.484440 0.000000 7.103518 6.389729 8.336293 8.442486 9.946913 9.710008 9.094389 7.263096 2.800015 2.174333 3.164349 1.107810 2.175543 2.934172 2.828794 4.259791 4.526557 4.191764 8.081009 5.060829 7.333760 6.528027 7.387259 8.953798 3.088359 2.528576 1.768418 0.000000 6.564112 6.677972 8.117747 9.347347 10.310563 10.459682 9.001272 7.139897 3.620455 2.909094 3.129004 2.177455 1.111321 2.134511 4.725795 4.634069 4.405677 2.874782 8.322667 5.420452 7.864453 6.730570 7.340219 9.526159 2.716121 3.865321 2.423646 3.077626 0.000000 6.178150 5.776732 7.371441 8.371138 9.505830 9.760438 8.659430 7.256633 3.934228 3.468377 3.312756 2.173333 1.109039 2.153446 4.517045 5.308334 4.552998 2.673311 7.767149 5.187930 7.424813 6.576777 6.685838 8.758668 3.812726 4.317838 2.584026 2.421673 1.769818 0.000000 6.276851 5.409306 7.463306 6.934928 8.574528 7.983460 7.716076 5.845848 2.189309 2.807106 2.733909 2.861929 3.552893 3.307498 1.095312 3.482575 3.555126 4.494633 6.657605 3.672115 5.667567 5.022698 6.335492 7.430377 3.860495 3.019999 3.793703 2.202392 4.550825 3.952258 0.000000 5.841604 5.267329 7.174796 6.429354 7.947280 7.036950 6.755442 4.561664 2.192746 3.499436 2.761952 4.138110 4.618106 3.871746 1.094945 2.765923 2.877425 4.925485 5.848389 2.807349 4.593234 3.873468 5.900106 6.699061 4.331590 3.708880 5.137106 3.792108 5.478263 5.220264 1.765443 0.000000 7.396782 6.787612 8.765312 8.045305 9.652913 8.751018 8.501683 6.154692 2.191814 2.773005 3.462390 3.568433 4.590909 4.384874 1.094131 2.782334 4.136323 5.732614 7.591039 4.427767 6.357674 5.575612 7.531901 8.414282 3.706622 2.466612 4.317805 3.214969 5.372260 5.251507 1.768467 1.764532 0.000000 7.637194 7.762890 9.430200 9.319376 10.525123 9.633395 8.710164 5.753282 2.191141 2.702786 3.477618 4.194917 4.926856 4.564178 2.824283 1.095004 3.942073 5.882545 8.173213 4.789365 6.914832 5.687677 8.156791 9.328717 2.813013 2.591550 4.830375 4.547275 5.237102 5.937913 3.828172 3.191152 2.647742 0.000000 6.182800 6.465752 7.986223 7.900408 8.951363 8.037752 7.011084 4.012090 2.200032 3.480380 2.838934 4.723888 5.023527 4.149428 2.728257 1.095580 2.639750 5.186365 6.561408 3.333509 5.286408 4.013820 6.683224 7.766728 3.682071 3.792218 5.616166 4.967773 5.448341 5.968978 3.749256 2.523682 3.060332 1.758571 0.000000 6.618280 7.150892 8.580941 9.054881 9.974878 9.341182 7.924246 4.945312 2.194791 2.813397 2.736749 4.135015 4.317739 3.707682 3.482602 1.094964 3.053572 4.799296 7.554950 4.219273 6.488894 5.057014 7.377601 8.897366 2.482084 3.310072 4.844179 4.754908 4.402328 5.394944 4.343269 3.751219 3.816649 1.766445 1.766345 0.000000 3.941792 4.836884 5.964758 6.825404 7.430063 7.049157 5.280453 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2.613983 3.535432 1.093786 2.719036 2.206437 3.212959 4.642211 5.819533 6.310224 6.331626 5.176313 5.115458 4.616436 4.615750 4.227508 5.712137 6.151611 4.970000 5.225361 3.080043 2.392398 2.264112 3.671822 0.000000 3.565658 2.655446 4.076232 2.769996 4.087371 2.990582 3.368990 3.282144 6.363018 7.625828 5.133338 7.575250 6.831540 5.445288 6.302317 6.938364 4.021468 4.911545 2.167024 2.680907 1.104486 2.194606 2.846591 2.712130 8.097523 8.414109 8.633519 7.300472 7.527358 6.906833 6.302285 5.574619 7.304342 7.958469 6.485582 7.146022 4.497107 4.480628 4.387832 5.878143 2.415428 0.000000 4.042734 3.964472 4.594085 3.502129 3.904891 2.402335 2.594351 2.549423 6.925809 8.359659 5.911152 8.605001 8.002829 6.537146 6.794556 7.149761 4.546466 6.192356 2.133548 3.406067 1.102327 2.145505 3.503950 2.712454 8.785664 9.055145 9.701146 8.375694 8.648868 8.263901 7.026980 5.883154 7.660112 8.122803 6.453923 7.374299 4.596015 5.982692 5.505885 7.181289 3.678846 1.797107 0.000000 3.050389 4.020623 2.698985 3.872606 2.396228 3.330143 0.994706 4.134816 8.531357 9.804472 7.315960 10.104375 9.134823 7.651829 8.980505 8.442589 6.039230 6.866113 2.022864 5.019949 3.310849 3.966661 2.671390 2.629900 9.852829 10.680746 11.119206 10.219035 9.404059 9.442622 9.368618 8.261241 9.872364 9.489706 7.865058 8.198642 6.072082 6.936543 5.841116 7.508371 5.241770 4.147189 3.498749 0.000000 0.5073787 0.1041290 0.0963756 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= 272 272 273 273 273 MxSgAt= 44 MxSgA2= 44. 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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= 17020 NPrTT= 87300 LenC2= 13951 LenP2D= 43408. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 280 RedAO= T EigKep= 1.16D-03 NBF= 280 NBsUse= 280 1.00D-06 EigRej= -1.00D+00 NBFU= 280 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= 272 272 272 272 272 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 0 1 -1369.02266210815 -1369.11837322148 -0.095711113332 -1369.24485379936 -0.126480577880 -1366.92240041730 2.322453382060 -1369.39227935020 -2.469878932899 -1369.53789961396 -0.145620263764 -1369.58533434336 -0.047434729393 -1369.59349408071 -0.008159737352 -1369.59509378557 -0.001599704862 -1369.59511240031 -0.000018614736 -1369.59511678278 -0.000004382472 -1369.59526717243 -0.000150389647 -1369.59526787447 -0.000000702048 -1369.59526784181 0.000000032664 -1369.59526841451 -0.000000572697 -1369.59526846165 -0.000000047146 -1369.59526846687 -0.000000005212 -1369.59526846702 -0.000000000153 -1369.59526846712 -0.000000000107 -1369.59526846714 -0.000000000016 -1369.59526847 20 1.365256130069e+03 -7.930895318220e+03 2.841704843134e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=785188548. IVT= 257198 IEndB= 257198 NGot= 939524096 MDV= 165429429 LenX= 165429429 LenY= 165350588 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= 39340 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 9.78326221e-01 4.06195201e-01 3.57999304e-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 9 9 9 9 9 9 8 8 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 0.032855784 -0.010427900 -0.060200444 0.040226683 0.004402620 0.059965055 -0.063256156 0.036044021 -0.002182427 0.040921088 0.026008600 0.054162539 -0.050091500 0.043255999 -0.030405359 -0.010962299 -0.068703296 -0.002305086 -0.013139275 -0.006075148 -0.024725422 -0.001708197 -0.036672352 -0.070602730 0.009708674 -0.002890756 -0.000532126 0.001245889 -0.000186999 -0.000606915 0.003460904 -0.010810525 0.002869593 0.006392383 0.003996059 0.004894968 0.007270805 0.003403014 0.003429894 0.003238775 0.014638247 -0.002068835 -0.001550902 -0.000434547 0.003323706 -0.001558553 -0.002806085 -0.000569808 0.016164178 0.006094308 -0.010802382 -0.010298035 0.003525744 -0.006018486 -0.002041637 0.003347152 0.012030943 -0.010089628 -0.003335757 0.005969436 0.001383532 -0.019846260 0.015091757 -0.002520580 0.029052463 0.059585246 -0.008163259 -0.029420260 0.007265720 0.024632864 0.002202276 -0.019885710 -0.001014620 0.001028192 -0.002008001 -0.000368830 -0.002445492 0.001764603 0.000781809 0.000560901 0.000061005 -0.000358185 -0.000146718 -0.000557749 -0.000014742 0.000926042 -0.000145457 -0.001309430 0.000333744 -0.001071835 -0.000603758 0.004536324 0.003785852 -0.005592038 -0.003253014 -0.000769143 0.006272968 -0.005296744 0.001899278 0.006157170 -0.002968518 0.003496703 -0.006095574 -0.003456803 0.000087897 0.001834894 0.002657956 -0.006510629 -0.006883270 -0.003977230 -0.000320186 -0.003888734 0.002342897 0.002627964 -0.003477952 -0.002382815 -0.001825275 0.004288247 0.004310674 -0.000268001 0.001098926 0.003596606 0.003726565 -0.001182668 0.004873765 -0.002367576 -0.000533257 0.012438854 0.000002911 -0.001232493 0.001960759 0.000707948 0.070602730 0.018906731 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1369.64594869316 -1369.64597303198 -0.000024338813 -1369.64597275217 0.000000279803 -1369.64597318855 -0.000000436380 -1369.64597319918 -0.000000010623 -1369.64597321007 -0.000000010897 -1369.64597321052 -0.000000000443 -1369.64597321065 -0.000000000136 -1369.64597321065 0.000000000001 -1369.64597321 9 1.363374861671e+03 -7.816617728956e+03 2.785943940488e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=785188548. IVT= 257198 IEndB= 257198 NGot= 939524096 MDV= 165429429 LenX= 165429429 LenY= 165350588 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= 39340 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 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 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 -24.335563 -24.334947 -24.333732 -24.333174 -24.332851 -24.332804 -18.819287 -18.750884 -10.182456 -10.182272 -10.056497 -9.992420 -9.938994 -9.930031 -9.923588 -9.923008 -9.917246 -9.911191 -9.907935 -9.899330 -9.897564 -9.895307 -9.886085 -9.885333 -1.225201 -1.219656 -1.146992 -1.144840 -1.143470 -1.141390 -1.001217 -0.945387 -0.787559 -0.784074 -0.729780 -0.723655 -0.697305 -0.678663 -0.674863 -0.636415 -0.618897 -0.616012 -0.609292 -0.578667 -0.566011 -0.560922 -0.551014 -0.544108 -0.536595 -0.531755 -0.529043 -0.514787 -0.478084 -0.462085 -0.443204 -0.432494 -0.427359 -0.422089 -0.418549 -0.416322 -0.415640 -0.410749 -0.408386 -0.403424 -0.397582 -0.391672 -0.390209 -0.386259 -0.385729 -0.382875 -0.377578 -0.374585 -0.373609 -0.370427 -0.364474 -0.362030 -0.357442 -0.351396 -0.346594 -0.340924 -0.333212 -0.327236 -0.324864 -0.316130 -0.310615 -0.306061 -0.286120 -0.285172 -0.276787 -0.267709 -0.261339 -0.205875 -0.201862 -0.110033 -0.038336 -0.025475 -0.012362 0.007655 0.010564 0.019113 0.030886 0.039390 0.046506 0.072238 0.082453 0.083449 0.099179 0.108754 0.111885 0.116370 0.121717 0.127039 0.127554 0.130933 0.132110 0.136985 0.140357 0.141427 0.147496 0.152540 0.156874 0.161648 0.170187 0.172266 0.177347 0.182413 0.183866 0.188734 0.194697 0.199996 0.211611 0.215018 0.216724 0.221436 0.230846 0.235936 0.247882 0.251586 0.254778 0.262425 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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 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 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 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 1 F 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 F 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 F 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 F 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 F 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 F 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 O 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 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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 1.13104 0.86119 1.03333 0.91261 1.24463 1.41315 1.24974 0.39496 0.48563 0.40523 1.13103 0.86121 1.03127 0.91450 1.35460 1.29636 1.25699 0.46573 0.42475 0.41463 1.13104 0.86121 1.03270 0.90924 1.24501 1.31910 1.34344 0.40192 0.44058 0.46244 1.13104 0.86120 1.03343 0.90791 1.41395 1.22525 1.26824 0.49501 0.39102 0.41240 1.13104 0.86122 1.03211 0.91068 1.20888 1.39703 1.30156 0.38032 0.48966 0.43947 1.13103 0.86121 1.03340 0.90811 1.39264 1.19936 1.31711 0.47897 0.37499 0.43812 1.13238 0.85934 0.95001 0.93289 1.20348 1.15623 1.07345 0.38506 0.39920 0.29189 1.13255 0.85913 0.97871 0.86313 1.31283 1.04795 1.00011 0.43661 0.24820 0.32030 1.17439 0.81392 0.72150 0.54521 0.84879 0.85617 0.85438 0.03716 -0.01640 -0.03309 1.17430 0.81417 0.72141 0.65310 0.87897 0.87783 0.89980 0.16138 0.10538 0.15887 1.17439 0.81381 0.74379 0.48102 0.88496 0.90681 0.78970 -0.09701 -0.18125 0.22847 1.17427 0.81423 0.72121 0.63492 0.89013 0.87381 0.90109 0.16577 0.10804 0.16798 1.17427 0.81416 0.72380 0.65408 0.87015 0.89559 0.90909 0.08032 0.17648 0.21805 1.17450 0.81383 0.75406 0.46388 0.88923 0.91670 0.71790 -0.06421 -0.07881 0.20136 1.17427 0.81424 0.72472 0.71087 0.92145 0.89992 0.87749 0.23821 0.22141 0.16287 1.17427 0.81424 0.72415 0.72229 0.92196 0.89747 0.88079 0.22998 0.21145 0.17751 1.17444 0.81377 0.75905 0.59284 0.92085 0.92291 0.73915 -0.01547 0.17938 0.16293 1.17419 0.81425 0.72116 0.75832 0.90600 0.91018 0.91833 0.17458 0.22859 0.23446 1.17446 0.81392 0.74696 0.52657 0.88101 0.82236 0.81463 0.06573 0.08336 0.03520 1.17436 0.81388 0.74983 0.55313 0.90524 0.89387 0.82430 0.03164 0.12773 0.25268 1.17422 0.81405 0.72164 0.71190 0.87358 0.93648 0.88596 0.09125 0.22158 0.16140 1.17461 0.81382 0.78494 0.37510 0.89765 0.83303 0.73261 0.06457 0.04637 0.12587 1.17490 0.81372 0.81874 0.30757 0.71497 0.84006 0.72079 0.06911 0.08892 0.08795 1.17490 0.81371 0.81571 0.30414 0.83504 0.69133 0.74769 0.08367 0.08031 0.08355 0.51388 0.28354 0.51488 0.27904 0.51442 0.27472 0.51410 0.27709 0.50860 0.26509 0.51109 0.26250 0.51221 0.26640 0.51172 0.25405 0.51145 0.27317 0.51066 0.27041 0.51304 0.26788 0.51035 0.26384 0.51077 0.23824 0.50587 0.26480 0.50879 0.22340 0.51014 0.25618 0.51736 0.22951 0.50786 0.23576 0.50187 0.20758 0.47650 0.14664 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 F F F F F F O O 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 -0.131512 -0.151074 -0.146689 -0.139441 -0.151970 -0.134944 -0.383932 -0.199514 0.197959 -0.445207 0.255309 -0.451440 -0.515991 0.211564 -0.745438 -0.754103 -0.249850 -0.840048 0.035791 -0.326663 -0.592054 0.151427 0.363275 0.369959 0.202575 0.206083 0.210856 0.208808 0.226307 0.226412 0.221395 0.234230 0.215380 0.218937 0.219084 0.225812 0.250984 0.229329 0.267805 0.233683 0.253130 0.256375 0.290543 0.376857 0.00000 1.42824863e+00 9.97251245e-01 3.39083066e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.6302 2.5348 0.8619 4.5107 -130.4542 -148.7655 -139.8516 4.0219 4.1255 -2.4283 9.2362 -9.0751 -0.1612 4.0219 4.1255 -2.4283 -10.3337 39.1722 -27.0908 1.0881 -5.3748 -42.3007 -43.2338 1.5516 2.4682 0.8825 -10715.9303 -1861.9900 -771.7816 32.5929 190.2324 -27.4916 -16.6016 58.7506 19.0295 -2094.3446 -1910.1672 -437.4174 27.0318 -7.9971 11.9435 0 -1369.6459732 5.305E-9 3.421E-5 6.8669051,-6.7470892,-0.1198159,2.990194,3.0671861,-1.8054108 C01 [X(C16H20F6O2)] 1.4282486 0.9972512 0.3390831 @ -0.000013858 -0.000017826 -0.000004503 0.000001954 -0.000007010 -0.000013932 -0.000103303 0.000016507 -0.000026306 -0.000009620 0.000040702 0.000041972 0.000053970 0.000028196 -0.000006786 -0.000010558 -0.000006475 0.000017776 0.000045107 0.000030538 0.000046234 -0.000020228 0.000003171 0.000000783 -0.000016662 -0.000000834 -0.000088686 0.000006332 0.000034693 -0.000000562 -0.000032843 -0.000158675 0.000100648 -0.000018046 -0.000023833 -0.000004145 0.000041104 -0.000003059 -0.000003388 -0.000013238 0.000052768 0.000049467 -0.000002879 0.000007464 0.000059329 0.000012021 0.000020670 0.000050813 0.000052807 0.000083646 -0.000053362 -0.000008527 0.000032514 0.000004058 -0.000068393 -0.000041300 -0.000065916 -0.000017494 0.000009130 -0.000062903 0.000086545 0.000018435 0.000038059 0.000023815 -0.000030510 0.000016873 0.000085785 -0.000001677 0.000062222 -0.000018425 -0.000003429 -0.000051067 -0.000016318 -0.000015882 0.000000669 -0.000006864 -0.000006139 0.000000870 -0.000003578 -0.000000165 -0.000013136 0.000010915 -0.000000875 -0.000019512 -0.000007256 0.000003909 -0.000017891 -0.000012478 -0.000015378 -0.000012333 -0.000008148 -0.000014487 -0.000022187 -0.000013771 0.000000695 -0.000021065 -0.000013585 0.000005884 0.000001587 -0.000019761 -0.000002332 -0.000021561 -0.000006713 0.000006462 0.000010531 0.000002460 -0.000021212 -0.000001343 0.000024633 -0.000046651 0.000000475 0.000006920 0.000000620 -0.000031550 0.000032827 0.000006111 0.000031415 0.000007367 0.000000484 0.000001250 0.000013825 0.000011317 0.000023394 -0.000007266 -0.000002318 -0.000020067 -0.000021976 -0.000015217 0.000000700 -0.000016598 0.000021369 0.000003076 338.1604191999998 AuxInfo=1/0/N:18,15,16,12,13,20,17,10,21,14,22,11,9,19,23,24,1,2,3,4,5,6,8,7/E:(2,3)(15,16)(17,18,19,20,21,22)/CRV:6.3,7.3,10.3,11.3,12.3,23.1/rA:44FFFFFFOO1CCC3CCC3CCC3CCC3CC3CCHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s12;s11s13;s9;s9;s11;s14;s7;s17;s19;s8s20s21;s1s2s3s19;s4s5s6s19;s10;s10;s12;s12;s13;s13;s15;s15;s15;s16;s16;s16;s17;s18;s18;s18;s20;s21;s21;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2032 CBGUSER 000294287 EM64L-G09RevD.01 23-Apr-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 126 C1[X(C16H20F6O2)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 338.1604191999998 0 1 AuxInfo=1/0/N:18,15,16,12,13,20,17,10,21,14,22,11,9,19,23,24,1,2,3,4,5,6,8,7/E:(2,3)(15,16)(17,18,19,20,21,22)/CRV:6.3,7.3,10.3,11.3,12.3,23.1/rA:44FFFFFFOO1CCC3CCC3CCC3CCC3CC3CCHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s12;s11s13;s9;s9;s11;s14;s7;s17;s19;s8s20s21;s1s2s3s19;s4s5s6s19;s10;s10;s12;s12;s13;s13;s15;s15;s15;s16;s16;s16;s17;s18;s18;s18;s20;s21;s21;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-31232.inp" -scrdir="/scratch/" chk=000294287-Freq.chk nprocshared=4 mem=7GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000294287 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 19 19 19 19 19 19 16 16 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 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 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 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 1 1 1 1 1 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000172 0.000047 0.075479 0.025461 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.169049e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2297.6529642467 280 656 280 93 93 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 44 44 44 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 0 338.1604191999998 AuxInfo=1/0/N:18,15,16,12,13,20,17,10,21,14,22,11,9,19,23,24,1,2,3,4,5,6,8,7/E:(2,3)(15,16)(17,18,19,20,21,22)/CRV:6.3,7.3,10.3,11.3,12.3,23.1/rA:44FFFFFFOO1CCC3CCC3CCC3CCC3CC3CCHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s12;s11s13;s9;s9;s11;s14;s7;s17;s19;s8s20s21;s1s2s3s19;s4s5s6s19;s10;s10;s12;s12;s13;s13;s15;s15;s15;s16;s16;s16;s17;s18;s18;s18;s20;s21;s21;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.262972 0.000000 2.256557 2.272473 0.000000 4.259756 2.772612 3.125656 0.000000 4.268279 3.897711 2.747454 2.276241 0.000000 4.902325 4.290271 4.244319 2.262652 2.256060 0.000000 2.785541 3.716013 2.997266 3.703036 2.758253 2.995729 0.000000 3.662102 4.661214 5.294164 5.509007 5.634795 4.786935 3.196308 0.000000 6.239946 6.800967 8.337544 8.857257 9.785519 9.113769 7.733381 5.096558 0.000000 7.269878 7.739201 9.327311 9.987869 11.007865 10.461434 9.062694 6.594433 1.557030 0.000000 4.841186 5.277360 6.865968 7.462824 8.435194 7.930034 6.563642 4.339666 1.559128 2.575914 0.000000 7.400341 7.463830 9.253563 9.755889 11.019453 10.520485 9.391703 7.208739 2.577278 1.538014 2.910999 0.000000 6.270401 6.276566 8.010167 8.741456 9.971107 9.719846 8.512579 6.766917 3.033186 2.499530 2.548858 1.537341 0.000000 4.864428 5.001153 6.697880 7.437521 8.557439 8.287072 7.004590 5.298092 2.580308 2.886376 1.387431 2.561693 1.521818 0.000000 6.996887 7.272079 8.968025 8.964907 10.055048 9.044221 8.090218 5.223170 1.558171 2.548974 2.539721 3.249410 3.999510 3.582836 0.000000 6.397266 7.419863 8.616331 9.423462 10.018162 9.417390 7.674603 4.922926 1.560109 2.504524 2.567135 3.883788 4.263586 3.697412 2.532942 0.000000 3.914566 4.540430 5.959482 6.457016 7.250785 6.653977 5.227331 2.881103 2.544486 3.897958 1.465636 4.354269 3.915224 2.511629 3.095475 2.989833 0.000000 3.935033 3.821513 5.496962 6.440243 7.564355 7.589894 6.347463 5.358690 4.006283 4.378549 2.573093 3.903834 2.536064 1.517961 4.931853 4.943942 3.058636 0.000000 2.453063 2.490246 2.470946 2.491190 2.469679 2.458974 1.443846 3.343213 7.336676 8.604298 6.033486 8.718232 7.781696 6.307597 7.618007 7.570118 4.795665 5.528605 0.000000 3.064107 3.342212 4.856096 5.083241 5.973074 5.358950 4.193933 2.422579 3.843664 5.127262 2.577167 5.320478 4.652415 3.162059 4.163099 4.355964 1.378038 3.098009 3.539935 0.000000 3.103759 2.939594 3.829279 3.126445 3.780762 2.795963 2.425152 2.435030 6.331552 7.686081 5.157791 7.837340 7.108410 5.635109 6.375117 6.659324 3.858103 5.162067 1.549661 2.583951 0.000000 2.970953 3.515951 4.523083 4.559699 5.074597 4.281696 3.031913 1.267762 4.951639 6.365373 3.893087 6.717196 6.110879 4.611408 5.107930 5.140466 2.478423 4.453940 2.634567 1.477814 1.551287 0.000000 1.402345 1.410975 1.416226 2.881669 3.108359 3.805230 2.462893 4.056685 7.068771 8.140990 5.617133 8.114283 6.977938 5.583499 7.607765 7.398779 4.633119 4.536032 1.569343 3.466780 2.586251 3.163361 0.000000 3.804100 3.114171 2.868935 1.408030 1.415620 1.404268 2.453853 4.685311 8.693412 9.943358 7.371265 9.927561 8.969651 7.551506 8.838886 9.034772 6.182236 6.670155 1.574135 4.850885 2.539593 3.978658 2.567242 0.000000 7.237553 7.941943 9.339494 10.338638 11.198291 10.847859 9.183096 6.872146 2.186796 1.109692 2.968243 2.164362 2.702549 3.126688 3.483002 2.578906 4.240031 4.474921 8.827777 5.494529 8.063722 6.700945 8.246671 10.234705 0.000000 8.263152 8.734853 10.342079 10.878851 11.912623 11.235893 9.901260 7.240857 2.177752 1.107161 3.507438 2.193879 3.476617 3.950884 2.642289 2.831141 4.706343 5.457166 9.480218 5.966447 8.468868 7.120821 9.119816 10.810206 1.779721 0.000000 8.341883 8.389360 10.161360 10.737556 12.024174 11.583598 10.434389 8.293005 3.536514 2.189709 3.977478 1.106119 2.182879 3.503722 4.171620 4.680289 5.434034 4.712479 9.756497 6.401489 8.916701 7.807975 9.078170 10.955415 2.530891 2.509748 0.000000 7.649650 7.464016 9.409025 9.548742 10.969955 10.281223 9.452076 7.194875 2.814981 2.184547 3.134243 1.107253 2.178591 2.924263 2.934786 4.291736 4.438146 4.208158 8.682992 5.277162 7.671084 6.647812 8.205422 9.791835 3.089829 2.566640 1.778409 0.000000 6.444480 6.678626 8.198628 9.288433 10.361596 10.316542 8.861912 7.276388 3.595455 2.860953 3.175095 2.182912 1.112481 2.152187 4.799679 4.530594 4.491620 2.861998 8.227309 5.268583 7.714136 6.681560 7.288007 9.469803 2.614599 3.829538 2.447920 3.088549 0.000000 6.565257 6.205671 8.067640 8.615707 10.025972 9.799133 8.849426 7.340585 3.977307 3.473241 3.340747 2.193755 1.109794 2.145410 4.709080 5.305456 4.572776 2.641734 7.969276 5.057129 7.335131 6.533566 7.097397 9.015842 3.762888 4.347243 2.592407 2.467131 1.764860 0.000000 7.294334 7.237096 9.122626 8.892912 10.206673 9.152763 8.481155 5.796765 2.216208 2.792364 2.838897 2.946537 3.753520 3.540619 1.105226 3.511220 3.548057 4.836080 7.832876 4.401505 6.563350 5.469656 7.766832 8.937008 3.859259 2.904396 3.834432 2.286679 4.706209 4.238973 0.000000 6.573933 6.863905 8.487682 8.308876 9.328167 8.183184 7.331693 4.364809 2.212271 3.521738 2.754947 4.200923 4.703928 3.963450 1.105488 2.832957 2.744582 5.110702 6.907563 3.635951 5.582288 4.339574 7.094103 8.093498 4.349397 3.699106 5.189310 3.849707 5.523175 5.364266 1.783476 0.000000 7.977713 8.355882 9.996160 10.003241 11.035502 9.963204 8.972721 5.974195 2.201971 2.815424 3.508312 3.727855 4.747086 4.532745 1.106516 2.723017 4.065196 5.946486 8.590917 5.186535 7.325558 6.021314 8.636849 9.825019 3.702418 2.459679 4.458549 3.447917 5.453664 5.498645 1.792318 1.788568 0.000000 7.496095 8.511805 9.720195 10.492187 11.095248 10.431126 8.715526 5.876082 2.188845 2.627394 3.514682 4.145778 4.833243 4.547503 2.840463 1.106390 4.054852 5.889824 8.644710 5.418037 7.690805 6.171784 8.504040 10.100340 2.673088 2.519607 4.758540 4.553529 5.048243 5.883777 3.812832 3.309136 2.585817 0.000000 6.161151 7.264105 8.352874 9.026214 9.501741 8.780073 7.056878 4.134544 2.235861 3.490746 2.942041 4.774039 5.067587 4.247538 2.728721 1.104000 2.816271 5.342065 7.064639 4.063513 6.096960 4.560559 7.103713 8.517660 3.668756 3.763972 5.652059 5.025049 5.423689 6.048399 3.793260 2.586859 2.932108 1.776372 0.000000 6.027775 7.274052 8.276674 9.446067 9.890845 9.537414 7.524102 5.078516 2.214507 2.841531 2.761194 4.140783 4.232838 3.653203 3.505915 1.105528 3.184081 4.727762 7.501685 4.496238 6.795728 5.282122 7.168659 9.023076 2.484549 3.366156 4.861475 4.766869 4.245859 5.315408 4.385354 3.798774 3.785541 1.789480 1.790992 0.000000 4.333837 5.290779 6.439437 6.988590 7.533352 6.850464 5.230684 2.453511 2.684695 4.171599 2.190337 4.949788 4.725449 3.431323 3.135704 2.570859 1.100090 4.079538 5.074468 2.077437 4.110467 2.577211 5.134032 6.513639 4.451005 4.821173 6.001246 5.068041 5.219458 5.499724 3.864174 2.611574 3.905642 3.599194 2.040858 2.836337 0.000000 4.184473 3.437742 5.408661 5.882617 7.289016 7.204655 6.403500 5.590072 4.584548 4.998759 3.155668 4.309634 3.034492 2.184648 5.219660 5.688016 3.494764 1.109119 5.377154 3.206200 4.955706 4.522137 4.439935 6.316630 5.277848 6.016140 5.114225 4.356804 3.578648 2.779829 4.927977 5.322906 6.282815 6.625142 6.006416 5.624830 4.584980 0.000000 2.868406 3.159854 4.584376 5.832452 6.705656 6.866471 5.361154 4.625215 4.294683 4.927294 2.781702 4.737651 3.460994 2.196914 5.255534 4.948760 2.768846 1.101938 4.654373 2.592066 4.455948 3.751984 3.619206 5.894963 4.934312 6.004165 5.602437 5.069252 3.669834 3.718558 5.339320 5.248562 6.275394 5.983808 5.174100 4.629965 3.687980 1.784202 0.000000 4.487200 4.414006 5.887844 7.121475 8.184196 8.434142 7.096896 6.337282 4.671401 4.730076 3.399436 4.115958 2.593515 2.157943 5.737701 5.556081 4.052358 1.106483 6.312354 4.160807 6.122757 5.464391 5.138231 7.411283 4.640798 5.819552 4.712167 4.588463 2.540450 2.551494 5.618589 6.045574 6.686562 6.428382 6.087187 5.192752 5.010690 1.772681 1.792049 0.000000 3.092666 2.662021 4.558270 4.576535 5.798625 5.278803 4.500881 3.363012 4.328310 5.412761 2.908322 5.291072 4.447350 3.036240 4.625962 5.107187 2.167752 2.613984 3.535432 1.093786 2.719036 2.206437 3.212959 4.642211 5.819534 6.310224 6.331626 5.176313 5.115459 4.616436 4.615750 4.227508 5.712136 6.151612 4.970001 5.225361 3.080043 2.392398 2.264113 3.671822 0.000000 3.565657 2.655445 4.076232 2.769996 4.087370 2.990582 3.368990 3.282144 6.363018 7.625828 5.133338 7.575251 6.831539 5.445288 6.302318 6.938364 4.021469 4.911545 2.167024 2.680907 1.104487 2.194606 2.846591 2.712129 8.097524 8.414109 8.633519 7.300472 7.527358 6.906834 6.302285 5.574619 7.304342 7.958470 6.485583 7.146022 4.497108 4.480629 4.387832 5.878143 2.415427 0.000000 4.042733 3.964472 4.594086 3.502130 3.904891 2.402335 2.594351 2.549423 6.925809 8.359659 5.911153 8.605001 8.002829 6.537146 6.794556 7.149762 4.546466 6.192356 2.133549 3.406067 1.102327 2.145505 3.503950 2.712454 8.785665 9.055145 9.701147 8.375694 8.648868 8.263901 7.026980 5.883154 7.660111 8.122803 6.453923 7.374298 4.596015 5.982692 5.505885 7.181289 3.678846 1.797108 0.000000 3.050389 4.020623 2.698984 3.872605 2.396228 3.330142 0.994706 4.134816 8.531357 9.804472 7.315960 10.104375 9.134822 7.651828 8.980505 8.442589 6.039230 6.866112 2.022863 5.019949 3.310848 3.966661 2.671389 2.629899 9.852829 10.680746 11.119206 10.219034 9.404059 9.442622 9.368618 8.261242 9.872364 9.489707 7.865059 8.198642 6.072082 6.936543 5.841116 7.508370 5.241770 4.147189 3.498749 0.000000 C16H20F6O2 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 0 338.1604191999998 AuxInfo=1/0/N:18,15,16,12,13,20,17,10,21,14,22,11,9,19,23,24,1,2,3,4,5,6,8,7/E:(2,3)(15,16)(17,18,19,20,21,22)/CRV:6.3,7.3,10.3,11.3,12.3,23.1/rA:44FFFFFFOO1CCC3CCC3CCC3CCC3CC3CCHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s12;s11s13;s9;s9;s11;s14;s7;s17;s19;s8s20s21;s1s2s3s19;s4s5s6s19;s10;s10;s12;s12;s13;s13;s15;s15;s15;s16;s16;s16;s17;s18;s18;s18;s20;s21;s21;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5073788 0.1041290 0.0963756 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= 17020 NPrTT= 87300 LenC2= 13951 LenP2D= 43408. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 280 RedAO= T EigKep= 1.16D-03 NBF= 280 NBsUse= 280 1.00D-06 EigRej= -1.00D+00 NBFU= 280 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= 272 272 272 272 272 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 0 1 -1369.06091960441 -1369.09687034337 -0.035950738954 -1368.89089511744 0.205975225921 -1367.27146263660 1.619432480844 -1367.27164684345 -0.000184206847 -1366.76150453356 0.510142309886 -1367.62777967433 -0.866275140771 -1352.40418536755 15.223594306784 -1367.64621539684 -15.242030029287 -1369.55591891467 -1.909703517830 -1369.58936314223 -0.033444227568 -1369.64135461454 -0.051991472303 -1369.64524663528 -0.003892020744 -1369.64575330085 -0.000506665566 -1369.64588805265 -0.000134751805 -1369.64593644603 -0.000048393382 -1369.64594510477 -0.000008658738 -1369.64594717241 -0.000002067638 -1369.64594755714 -0.000000384733 -1369.64594758845 -0.000000031310 -1369.64594758970 -0.000000001244 -1369.64594758994 -0.000000000241 -1369.64594758991 0.000000000027 -1369.64594759 23 1.363375054510e+03 -7.816617970328e+03 2.785944003981e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=785189012. IVT= 257662 IEndB= 257662 NGot= 939524096 MDV= 165428965 LenX= 165428965 LenY= 165350124 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= 39340 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= 44. Will process 45 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111 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= 939523372 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=784944422. 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= 39340 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 135 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 132 vectors produced by pass 0 Test12= 1.74D-14 1.00D-09 XBig12= 5.21D+02 1.42D+01. AX will form 132 AO Fock derivatives at one time. 132 vectors produced by pass 1 Test12= 1.74D-14 1.00D-09 XBig12= 1.37D+02 1.78D+00. 132 vectors produced by pass 2 Test12= 1.74D-14 1.00D-09 XBig12= 3.92D-01 5.06D-02. 132 vectors produced by pass 3 Test12= 1.74D-14 1.00D-09 XBig12= 3.75D-04 1.83D-03. 82 vectors produced by pass 4 Test12= 1.74D-14 1.00D-09 XBig12= 7.08D-08 1.62D-05. 11 vectors produced by pass 5 Test12= 1.74D-14 1.00D-09 XBig12= 6.75D-12 2.05D-07. 3 vectors produced by pass 6 Test12= 1.74D-14 1.00D-09 XBig12= 2.36D-15 7.71D-09. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 624 with 135 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 198.00 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 260.591 -25.054 194.513 1.773 -8.703 138.889 411.269 -87.662 404.514 3.863 -35.032 249.116 (Enter /mnt/data/applications/G09/g09/l716.exe) PT4919.300S 2018-04-23T06:41:15.000+02:00 -24.33556 -24.33494 -24.33373 -24.33318 -24.33285 -24.33280 -18.81929 -18.75088 -10.18245 -10.18227 -10.05650 -9.99242 -9.93899 -9.93004 -9.92358 -9.92301 -9.91725 -9.91119 -9.90794 -9.89933 -9.89756 -9.89530 -9.88608 -9.88533 -1.22520 -1.21966 -1.14699 -1.14484 -1.14347 -1.14139 -1.00122 -0.94539 -0.78756 -0.78407 -0.72978 -0.72365 -0.69731 -0.67866 -0.67486 -0.63641 -0.61889 -0.61601 -0.60929 -0.57867 -0.56601 -0.56092 -0.55101 -0.54411 -0.53659 -0.53176 -0.52904 -0.51479 -0.47808 -0.46208 -0.44320 -0.43249 -0.42736 -0.42209 -0.41855 -0.41632 -0.41564 -0.41075 -0.40838 -0.40342 -0.39758 -0.39167 -0.39021 -0.38626 -0.38573 -0.38287 -0.37758 -0.37459 -0.37361 -0.37043 -0.36447 -0.36203 -0.35744 -0.35140 -0.34659 -0.34092 -0.33321 -0.32724 -0.32486 -0.31613 -0.31061 -0.30606 -0.28612 -0.28517 -0.27679 -0.26771 -0.26134 -0.20588 -0.20186 -0.11003 -0.03833 -0.02547 -0.01236 0.00766 0.01056 0.01911 0.03089 0.03939 0.04651 0.07224 0.08245 0.08345 0.09918 0.10875 0.11189 0.11637 0.12172 0.12704 0.12756 0.13093 0.13211 0.13699 0.14036 0.14143 0.14750 0.15254 0.15688 0.16165 0.17019 0.17227 0.17735 0.18242 0.18387 0.18874 0.19471 0.20000 0.21161 0.21502 0.21673 0.22144 0.23085 0.23594 0.24788 0.25158 0.25478 0.26243 0.27198 0.27882 0.28613 0.28768 0.30002 0.30416 0.31070 0.31368 0.32354 0.32778 0.33431 0.33782 0.34074 0.35198 0.35595 0.36660 0.37273 0.38140 0.38458 0.39813 0.40002 0.40619 0.41300 0.41726 0.43037 0.43831 0.45846 0.46175 0.46406 0.47083 0.48105 0.48752 0.50066 0.51077 0.51445 0.52423 0.52786 0.54311 0.55543 0.56724 0.58869 0.58960 0.60991 0.61456 0.63534 0.63761 0.65823 0.69500 0.70579 0.72255 0.73500 0.74194 0.75698 0.76334 0.77083 0.78061 0.80728 0.81492 0.82485 0.83546 0.84958 0.86730 0.88313 0.88557 0.89919 0.90842 0.91583 0.92398 0.93451 0.94785 0.95399 0.95924 0.98382 0.99643 0.99839 1.01367 1.03705 1.03880 1.04808 1.05429 1.06829 1.08456 1.09553 1.09887 1.10495 1.11253 1.12215 1.12356 1.13116 1.15382 1.15842 1.17390 1.17861 1.18308 1.19394 1.20785 1.20966 1.22418 1.23965 1.25899 1.28869 1.29384 1.33045 1.36186 1.41135 1.41539 1.45962 1.46755 1.68003 1.71416 1.81749 1.86114 1.91722 1.92673 2.11551 2.15625 22.20488 22.34318 22.38947 22.47843 22.52436 22.56574 22.58304 22.60978 22.63150 22.63610 22.64954 22.65622 22.67944 22.70764 22.75733 22.77874 41.49953 41.54720 52.89340 52.90729 52.94054 52.94381 53.00576 53.03509 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 F F F F F F O O 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 -0.131528 -0.151098 -0.146691 -0.139463 -0.151978 -0.134941 -0.383947 -0.199527 0.198222 -0.445132 0.255167 -0.451582 -0.515959 0.211538 -0.745486 -0.754073 -0.249779 -0.840058 0.035771 -0.326702 -0.592125 0.151471 0.363354 0.370021 0.202523 0.206053 0.210877 0.208831 0.226309 0.226413 0.221389 0.234227 0.215374 0.218917 0.219075 0.225806 0.250977 0.229337 0.267806 0.233686 0.253146 0.256374 0.290547 0.376858 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 F F F F F F O O C C C C C C C C C C C C C C C C -0.131528 -0.151098 -0.146691 -0.139463 -0.151978 -0.134941 -0.007089 -0.199527 0.198222 -0.036556 0.255167 -0.031874 -0.063237 0.211538 -0.074496 -0.090275 0.001199 -0.109228 0.035771 -0.073557 -0.045204 0.151471 0.363354 0.370021 0.00000 -1.42471739e+00 9.83460432e-01 -3.90420790e-01 2.60590713e+02 -2.50537214e+01 1.94513279e+02 1.77288334e+00 -8.70338903e+00 1.38889445e+02 -7.6990 -1.0786 -0.0011 -0.0010 -0.0010 3.4169 15.0514 20.8704 33.0529 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 13.4292 20.3092 32.9636 43.5586 49.9599 72.8018 86.7828 97.3124 109.5091 126.3379 134.5471 159.5088 180.9423 200.1106 210.5206 227.5519 239.6222 252.5518 255.7811 264.9391 278.2692 286.6439 298.5085 300.5697 309.5141 312.1022 326.1461 364.0855 366.2295 376.6678 395.6416 402.1098 419.3750 442.4666 450.2874 457.2612 474.9413 487.5063 504.9391 521.6955 556.5799 567.5183 596.8382 613.0771 636.6113 659.6917 701.7311 738.2094 792.9068 832.7211 853.5250 866.0002 881.8900 889.5543 909.7867 924.7835 939.1479 942.9535 976.0457 990.5003 993.5482 998.4905 1002.6458 1008.6274 1013.1776 1020.3278 1033.4882 1046.0600 1073.2622 1081.5259 1099.3757 1121.7336 1124.4949 1140.4831 1154.4913 1168.7071 1183.6487 1196.9589 1202.8407 1211.8770 1259.0179 1271.9006 1279.8576 1311.5218 1318.2803 1328.6089 1330.4070 1342.0215 1342.3931 1358.2992 1379.2556 1394.5114 1399.0175 1439.0216 1442.3790 1459.3612 1464.6497 1465.8132 1472.8777 1478.9682 1482.2115 1486.7839 1491.9451 1547.4819 1603.0772 1623.9472 2940.2895 2961.8491 2966.9594 2971.9036 2978.2718 2983.2737 2998.3873 3029.4018 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