Gaussian 09 GINC-KIMIK2026 CBGUSER 000061072 EM64L-G09RevD.01 4-Jun-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 184.14919999999995 0 1 AuxInfo=1/0/N:15,11,8,9,14,4,6,12,10,3,7,13,5,2,1/E:(3,4)/CRV:8.3,9.3,11.3,12.3,13.3,15.1/rA:37O1CCCC3CC3CCC3CC3C3CCHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s3;s2;s4;s5s6;s2;s2;s5;s7;s10;s1s12;s13;s14;s3;s3;s4;s4;s6;s6;s8;s8;s8;s9;s9;s9;s10;s11;s11;s11;s12;s14;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-18906.inp" -scrdir="/scratch/" chk=000061072.chk nprocshared=4 mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000061072 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 16 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 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 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 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 (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 1 2 2 2 2 3 3 3 4 4 4 5 5 6 6 6 7 8 8 8 9 9 9 10 10 11 11 11 12 12 13 14 14 14 15 15 15 13 3 5 8 9 4 16 17 6 18 19 7 10 7 20 21 11 22 23 24 25 26 27 12 28 29 30 31 13 32 14 15 33 34 35 36 37 1.228 1.5533 1.5469 1.5461 1.5483 1.5182 1.0991 1.0974 1.5212 1.0962 1.0959 1.3568 1.4539 1.5155 1.0977 1.0971 1.5113 1.0952 1.0964 1.0961 1.0969 1.0953 1.0962 1.3289 1.0842 1.0944 1.0928 1.097 1.492 1.0834 1.5181 1.5189 1.0955 1.0955 1.0951 1.0943 1.0951 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 3 5 5 8 2 2 2 4 4 16 3 3 3 6 6 18 2 2 7 4 4 4 7 7 20 5 5 6 2 2 2 22 22 23 2 2 2 25 25 26 5 5 12 7 7 7 29 29 30 10 10 13 1 1 12 13 13 13 15 15 33 14 14 14 35 35 36 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 5 8 9 8 9 9 4 16 17 16 17 17 6 18 19 18 19 19 7 10 10 7 20 21 20 21 21 6 11 11 22 23 24 23 24 24 25 26 27 26 27 27 12 28 28 29 30 31 30 31 31 13 32 32 12 14 14 15 33 34 33 34 34 35 36 37 36 37 37 111.5922 108.9736 105.9833 109.5297 112.1089 108.5267 112.2443 109.9427 110.4712 108.4577 109.3549 106.1675 110.0342 110.0116 110.5631 109.5424 110.1083 106.5184 122.2375 115.6206 122.1312 114.624 109.1457 108.0447 108.1858 109.692 106.8776 122.5103 125.7386 111.751 111.8748 111.4519 111.1428 107.2266 107.7765 107.1323 110.8499 112.3326 111.3391 106.3507 107.5736 108.145 122.33 117.3114 120.3182 110.6893 113.6481 109.8407 110.0446 107.4337 104.8568 119.9986 123.8935 115.9591 121.7555 122.8391 115.4054 112.5052 108.4257 108.4879 109.3243 109.221 108.8076 111.0435 110.3809 111.0357 108.2152 107.8353 108.2185 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 5 5 5 8 8 8 9 9 9 3 3 8 8 9 9 3 3 3 5 5 5 9 9 9 3 3 3 5 5 5 8 8 8 2 2 2 16 16 16 17 17 17 3 3 3 18 18 18 19 19 19 2 2 10 10 2 2 7 7 4 4 20 20 21 21 5 5 5 6 6 6 5 5 28 28 10 10 32 32 1 1 1 12 12 12 13 13 13 33 33 33 34 34 34 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 3 3 3 3 3 3 3 3 3 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 7 7 7 7 10 10 10 10 7 7 7 7 7 7 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 4 16 17 4 16 17 4 16 17 7 10 7 10 7 10 22 23 24 22 23 24 22 23 24 25 26 27 25 26 27 25 26 27 6 18 19 6 18 19 6 18 19 7 20 21 7 20 21 7 20 21 6 11 6 11 12 28 12 28 5 11 5 11 5 11 29 30 31 29 30 31 13 32 13 32 1 14 1 14 15 33 34 15 33 34 35 36 37 35 36 37 35 36 37 44.3517 -76.464 166.6879 -76.7294 162.4548 45.6067 166.6557 45.8399 -71.0082 -12.8733 168.2933 107.8835 -70.9498 -131.5861 49.5805 66.9594 -172.9981 -53.5715 -55.374 64.6684 -175.905 -178.0601 -58.0177 61.409 48.8463 167.6705 -70.8669 170.8204 -70.3554 51.1072 -68.0695 50.7548 172.2174 -60.3987 178.822 61.4471 61.2696 -59.5097 -176.8846 176.6341 55.8548 -61.5201 44.0036 -77.4996 166.6306 165.0646 43.5614 -72.3085 -78.1122 160.3847 44.5148 -2.6179 177.4921 176.1399 -3.7501 138.849 -43.4598 -39.9858 137.7055 -13.3347 166.5692 108.6922 -71.4039 -135.0669 44.837 97.3564 -27.0694 -144.1713 -82.5437 153.0305 35.9286 -179.9933 -4.6103 2.3831 177.7661 0.0404 179.992 -175.6977 4.2538 0.9286 -120.1077 121.8776 -179.0224 59.9413 -58.0734 -60.0857 179.8994 59.8852 60.4348 -59.5802 -179.5943 179.3863 59.3713 -60.6428 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 210 222 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 37 37 37 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= 9045 NPrTT= 44932 LenC2= 8321 LenP2D= 27348. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 194 RedAO= T EigKep= 1.05D-03 NBF= 194 NBsUse= 194 1.00D-06 EigRej= -1.00D+00 NBFU= 194 Using GEDIIS/GDIIS optimizer. local minimum Step number 11 out of a maximum of 210 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00192 0.00211 0.00235 0.00321 0.00516 0.00528 0.00647 0.00846 0.00859 0.01056 0.01482 0.01810 0.02051 0.02470 0.02988 0.03060 0.03326 0.03447 0.04207 0.04450 0.04731 0.04902 0.05133 0.05218 0.05285 0.05392 0.05478 0.05602 0.05606 0.05685 0.05859 0.06015 0.06737 0.07187 0.07264 0.07771 0.07784 0.08457 0.09473 0.09676 0.09857 0.11968 0.12874 0.13187 0.14961 0.15496 0.15760 0.15977 0.16000 0.16000 0.16000 0.16004 0.16007 0.16016 0.16034 0.16064 0.16102 0.16237 0.16495 0.18835 0.19477 0.21871 0.22181 0.23091 0.24479 0.25121 0.25561 0.26926 0.27906 0.28940 0.29132 0.29539 0.29654 0.30282 0.30605 0.30856 0.31227 0.31987 0.33801 0.33935 0.33952 0.33980 0.34034 0.34064 0.34092 0.34108 0.34111 0.34136 0.34160 0.34198 0.34203 0.34232 0.34234 0.34296 0.34304 0.34403 0.34509 0.34889 0.35470 0.35545 0.37553 0.43011 0.57810 0.60827 0.84905 RFO step: Lambda=-1.12328415D-07. 1 2 3 0.00176450 0.00000145 0.00000000 0.00000096 0.00000014 0.00000014 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 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 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 2.40127 2.94266 2.94635 2.94432 2.94804 2.90606 2.09711 2.09256 2.90627 2.09073 2.09256 2.61691 2.77847 2.87817 2.10240 2.09743 2.87017 2.08849 2.08862 2.09121 2.09080 2.08605 2.08916 2.59775 2.07959 2.09618 2.08304 2.09175 2.81187 2.07084 2.89978 2.90442 2.09914 2.09890 2.08534 2.08791 2.08533 1.94585 1.91738 1.86727 1.90463 1.93250 1.89540 1.96822 1.90172 1.89329 1.89478 1.93827 1.86444 1.89765 1.93292 1.92464 1.92499 1.91693 1.86677 2.13227 1.99678 2.15402 1.98116 1.91716 1.93402 1.89913 1.88947 1.83696 2.13649 2.17426 1.97202 1.94513 1.93892 1.92530 1.87737 1.88996 1.88506 1.90540 1.97019 1.94100 1.86839 1.88541 1.89027 2.26674 2.03621 1.97882 1.94689 1.96833 1.91308 1.87930 1.85625 1.89587 2.10998 2.13322 2.03869 2.13944 2.12032 2.02342 1.98670 1.88180 1.88240 1.93460 1.93536 1.83569 1.93334 1.93547 1.93312 1.89718 1.86577 1.89705 0.72960 -1.37554 2.88405 -1.38406 2.79398 0.77038 2.84481 0.73967 -1.28392 -0.12891 2.99737 1.99217 -1.16473 -2.20567 0.92061 1.00843 3.10174 -1.09161 -1.12983 0.96347 3.05331 3.04517 -1.14471 0.94513 0.84503 2.92071 -1.23369 2.96868 -1.23883 0.88996 -1.22362 0.85205 2.98084 -1.09517 3.07031 1.00746 1.01394 -1.10377 3.11656 3.05873 0.94103 -1.12183 0.84058 -1.28986 2.97102 2.96314 0.83270 -1.18961 -1.26680 2.88595 0.86363 -0.10086 3.00755 3.05744 -0.11734 2.62923 -0.45080 -0.52789 2.67527 -0.27065 2.90062 1.86977 -1.24214 -2.42565 0.74562 1.69821 -0.41929 -2.53381 -1.47381 2.69187 0.57735 -3.11035 -0.02521 -0.02869 3.05645 -0.04361 3.09600 -3.13170 0.00791 0.01009 -2.14374 2.16535 -3.12954 0.99981 -0.97428 -1.03222 -3.14035 1.03501 1.09262 -1.01551 -3.12333 3.12476 1.01663 -1.09119 0.00006 0.00000 0.00006 0.00002 -0.00004 -0.00001 -0.00001 0.00000 -0.00004 -0.00001 -0.00001 0.00005 -0.00005 -0.00003 0.00000 -0.00001 -0.00002 -0.00002 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00003 -0.00001 -0.00001 0.00001 -0.00005 0.00000 -0.00003 -0.00002 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00003 -0.00002 -0.00001 0.00004 -0.00003 0.00002 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00002 0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00004 0.00008 -0.00004 0.00000 0.00001 -0.00001 -0.00002 0.00001 0.00000 0.00003 0.00000 -0.00003 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00002 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00003 0.00005 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -0.00002 -0.00001 0.00002 0.00002 0.00002 -0.00001 0.00000 0.00002 0.00002 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00002 0.00002 0.00001 0.00001 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00005 -0.00002 -0.00002 0.00004 -0.00006 -0.00009 -0.00002 0.00000 -0.00004 -0.00003 -0.00004 0.00001 -0.00015 -0.00003 -0.00002 0.00001 0.00000 -0.00003 -0.00001 -0.00002 -0.00003 -0.00002 -0.00001 -0.00005 0.00002 0.00002 -0.00001 -0.00010 -0.00006 -0.00004 -0.00001 -0.00009 0.00002 -0.00001 -0.00002 -0.00004 -0.00001 -0.00011 0.00016 0.00000 -0.00018 0.00026 -0.00013 0.00010 -0.00014 0.00000 0.00008 -0.00009 0.00004 0.00012 -0.00009 -0.00001 0.00001 -0.00004 0.00000 -0.00001 0.00001 0.00000 0.00015 0.00011 -0.00007 -0.00019 0.00005 -0.00008 0.00007 -0.00002 -0.00005 0.00007 -0.00016 0.00003 0.00006 0.00000 0.00001 -0.00005 -0.00005 0.00013 0.00000 -0.00003 0.00000 0.00033 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0.00004 -0.00058 0.00025 -0.00038 0.00012 -0.00050 0.00095 0.00096 0.00091 0.00070 0.00071 0.00066 0.00059 0.00060 0.00055 -0.00045 -0.00046 -0.00046 -0.00033 -0.00035 -0.00034 -0.00028 -0.00030 -0.00029 0.00047 0.00044 0.00057 0.00047 0.00044 0.00057 0.00027 0.00024 0.00037 -0.00026 -0.00029 -0.00028 -0.00015 -0.00017 -0.00016 -0.00034 -0.00036 -0.00035 0.00016 -0.00013 0.00084 0.00054 0.00144 0.00091 0.00081 0.00028 -0.00003 0.00023 0.00006 0.00033 0.00002 0.00028 -0.00105 -0.00103 -0.00095 -0.00131 -0.00129 -0.00122 -0.00047 -0.00046 0.00005 0.00006 -0.00041 -0.00014 -0.00043 -0.00015 0.00043 0.00046 0.00043 0.00015 0.00018 0.00016 0.00016 0.00014 0.00015 0.00017 0.00015 0.00015 0.00012 0.00010 0.00010 0.00004 -0.00006 0.00014 0.00012 -0.00014 -0.00007 -0.00002 0.00001 -0.00013 -0.00003 -0.00004 0.00011 -0.00020 -0.00010 0.00002 -0.00001 -0.00003 -0.00007 -0.00003 0.00000 -0.00002 0.00001 -0.00004 0.00002 -0.00003 -0.00001 0.00000 -0.00004 -0.00015 -0.00004 -0.00006 -0.00011 0.00002 0.00001 -0.00001 -0.00003 -0.00001 0.00002 0.00022 -0.00022 -0.00011 0.00043 -0.00035 0.00024 -0.00019 0.00010 0.00004 -0.00012 -0.00008 0.00029 -0.00004 -0.00003 -0.00008 -0.00004 -0.00011 -0.00016 0.00018 -0.00003 0.00020 0.00018 -0.00013 -0.00024 0.00005 -0.00009 0.00020 -0.00009 -0.00012 0.00014 -0.00020 -0.00003 0.00005 0.00002 0.00002 -0.00007 -0.00003 0.00018 -0.00001 -0.00003 -0.00004 0.00051 -0.00018 -0.00031 -0.00007 -0.00006 0.00016 -0.00008 0.00005 0.00000 -0.00010 0.00012 -0.00003 0.00000 -0.00013 0.00013 0.00001 -0.00004 0.00006 0.00000 0.00008 -0.00011 0.00002 0.00005 0.00003 0.00000 -0.00008 -0.00003 0.00024 0.00017 0.00031 0.00021 0.00014 0.00029 0.00064 0.00057 0.00071 -0.00104 -0.00121 -0.00082 -0.00099 -0.00106 -0.00123 0.00087 0.00090 0.00077 0.00077 0.00080 0.00067 0.00053 0.00056 0.00043 -0.00124 -0.00132 -0.00126 -0.00109 -0.00118 -0.00112 -0.00119 -0.00128 -0.00122 0.00070 0.00064 0.00082 0.00065 0.00059 0.00077 0.00050 0.00043 0.00062 -0.00094 -0.00091 -0.00083 -0.00086 -0.00082 -0.00075 -0.00106 -0.00102 -0.00095 0.00089 0.00068 0.00107 0.00086 0.00141 0.00089 0.00124 0.00072 0.00017 0.00036 0.00036 0.00055 0.00016 0.00035 -0.00247 -0.00227 -0.00234 -0.00266 -0.00246 -0.00253 -0.00035 -0.00054 0.00016 -0.00003 -0.00071 -0.00056 -0.00054 -0.00038 0.00064 0.00067 0.00078 0.00048 0.00051 0.00063 0.00028 0.00023 0.00022 0.00023 0.00018 0.00016 0.00014 0.00009 0.00008 2.40131 2.94260 2.94649 2.94444 2.94789 2.90599 2.09709 2.09257 2.90614 2.09071 2.09252 2.61703 2.77827 2.87808 2.10242 2.09742 2.87013 2.08842 2.08860 2.09121 2.09078 2.08605 2.08912 2.59777 2.07955 2.09618 2.08303 2.09171 2.81172 2.07080 2.89972 2.90432 2.09917 2.09891 2.08533 2.08787 2.08532 1.94588 1.91760 1.86705 1.90451 1.93293 1.89505 1.96846 1.90154 1.89338 1.89482 1.93815 1.86435 1.89794 1.93288 1.92461 1.92491 1.91689 1.86666 2.13212 1.99696 2.15400 1.98136 1.91734 1.93389 1.89888 1.88952 1.83687 2.13669 2.17417 1.97191 1.94527 1.93872 1.92527 1.87742 1.88999 1.88508 1.90533 1.97016 1.94118 1.86838 1.88538 1.89024 2.26725 2.03603 1.97851 1.94683 1.96827 1.91324 1.87922 1.85630 1.89587 2.10988 2.13334 2.03867 2.13944 2.12019 2.02355 1.98670 1.88176 1.88246 1.93460 1.93544 1.83559 1.93336 1.93551 1.93315 1.89718 1.86570 1.89702 0.72984 -1.37538 2.88436 -1.38385 2.79412 0.77067 2.84545 0.74024 -1.28321 -0.12996 2.99616 1.99135 -1.16572 -2.20674 0.91938 1.00931 3.10264 -1.09084 -1.12906 0.96427 3.05398 3.04570 -1.14415 0.94556 0.84379 2.91938 -1.23495 2.96758 -1.24001 0.88884 -1.22482 0.85077 2.97963 -1.09446 3.07095 1.00828 1.01459 -1.10318 3.11733 3.05923 0.94146 -1.12121 0.83964 -1.29076 2.97019 2.96228 0.83188 -1.19036 -1.26787 2.88492 0.86269 -0.09996 3.00823 3.05851 -0.11648 2.63064 -0.44991 -0.52665 2.67599 -0.27049 2.90098 1.87013 -1.24159 -2.42549 0.74597 1.69575 -0.42156 -2.53616 -1.47647 2.68941 0.57481 -3.11070 -0.02575 -0.02853 3.05642 -0.04432 3.09545 -3.13224 0.00753 0.01073 -2.14307 2.16613 -3.12906 1.00032 -0.97366 -1.03194 -3.14012 1.03523 1.09284 -1.01533 -3.12317 3.12490 1.01672 -1.09111 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000078 0.000016 0.008441 0.001764 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -2.226035e-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 1 2 2 2 2 3 3 3 4 4 4 5 5 6 6 6 7 8 8 8 9 9 9 10 10 11 11 11 12 12 13 14 14 14 15 15 15 13 3 5 8 9 4 16 17 6 18 19 7 10 7 20 21 11 22 23 24 25 26 27 12 28 29 30 31 13 32 14 15 33 34 35 36 37 1.2707 1.5572 1.5591 1.5581 1.56 1.5378 1.1097 1.1073 1.5379 1.1064 1.1073 1.3848 1.4703 1.5231 1.1125 1.1099 1.5188 1.1052 1.1053 1.1066 1.1064 1.1039 1.1055 1.3747 1.1005 1.1093 1.1023 1.1069 1.488 1.0958 1.5345 1.537 1.1108 1.1107 1.1035 1.1049 1.1035 -DE/DX = 0.0001|-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 = 0.0001|-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 = -0.0001|-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 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 3 3 3 5 5 8 2 2 2 4 4 16 3 3 3 6 6 18 2 2 7 4 4 4 7 7 20 5 5 6 2 2 2 22 22 23 2 2 2 25 25 26 5 5 12 7 7 7 29 29 30 10 10 13 1 1 12 13 13 13 15 15 33 14 14 14 35 35 36 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 5 8 9 8 9 9 4 16 17 16 17 17 6 18 19 18 19 19 7 10 10 7 20 21 20 21 21 6 11 11 22 23 24 23 24 24 25 26 27 26 27 27 12 28 28 29 30 31 30 31 31 13 32 32 12 14 14 15 33 34 33 34 34 35 36 37 36 37 37 111.4893 109.8577 106.9866 109.1271 110.7244 108.5984 112.7706 108.9608 108.4774 108.5631 111.055 106.8245 108.7271 110.7484 110.2738 110.294 109.8318 106.9582 122.1703 114.407 123.4164 113.5121 109.845 110.8112 108.812 108.2585 105.2498 122.4117 124.5757 112.9887 111.4478 111.0919 110.3113 107.5653 108.2869 108.0061 109.1712 112.8835 111.2114 107.051 108.0262 108.3048 129.8748 116.6661 113.378 111.5488 112.777 109.6112 107.6761 106.3553 108.6254 120.8928 122.2243 116.8086 122.581 121.4856 115.9333 113.8293 107.8195 107.8538 110.8444 110.8881 105.1775 110.7723 110.8941 110.7597 108.7004 106.901 108.693 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 5 5 8 8 8 9 9 9 3 3 8 8 9 9 3 3 3 5 5 5 9 9 9 3 3 3 5 5 5 8 8 8 2 2 2 16 16 16 17 17 17 3 3 3 18 18 18 19 19 19 2 2 10 10 2 2 7 7 4 4 20 20 21 21 5 5 5 6 6 6 5 5 28 28 10 10 32 32 1 1 1 12 12 12 13 13 13 33 33 33 34 34 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 14 14 3 3 3 3 3 3 3 3 3 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 7 7 7 7 10 10 10 10 7 7 7 7 7 7 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 4 16 17 4 16 17 4 16 17 7 10 7 10 7 10 22 23 24 22 23 24 22 23 24 25 26 27 25 26 27 25 26 27 6 18 19 6 18 19 6 18 19 7 20 21 7 20 21 7 20 21 6 11 6 11 12 28 12 28 5 11 5 11 5 11 29 30 31 29 30 31 13 32 13 32 1 14 1 14 15 33 34 15 33 34 35 36 37 35 36 37 35 36 41.8029 -78.8128 165.2436 -79.3011 160.0832 44.1397 162.9959 42.3801 -73.5634 -7.3863 171.7366 114.1428 -66.7343 -126.3759 52.747 57.7789 177.7165 -62.5447 -64.7346 55.203 174.9417 174.4755 -65.587 54.1518 48.4167 167.3442 -70.6851 170.0927 -70.9798 50.9909 -70.1085 48.8191 170.7897 -62.7485 175.9157 57.7229 58.0945 -63.2413 178.5659 175.2526 53.9168 -64.2759 48.1617 -73.9033 170.2268 169.7753 47.7103 -68.1596 -72.5824 165.3525 49.4826 -5.7787 172.3198 175.1783 -6.7233 150.6439 -25.829 -30.2456 153.2816 -15.5074 166.1933 107.1297 -71.1697 -138.9796 42.721 97.3005 -24.0234 -145.1768 -84.4433 154.2328 33.0795 -178.2101 -1.4445 -1.6439 175.1217 -2.4987 177.3878 -179.4331 0.4534 0.5783 -122.8273 124.0655 -179.3096 57.2849 -55.8224 -59.1421 -179.9289 59.3019 62.6022 -58.1846 -178.9537 179.0356 58.2488 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 184.14919999999995 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7.817897 8.889152 10.303439 2.531677 2.509311 0.000000 7.188982 2.814130 2.184307 1.107334 3.129913 2.178747 2.919109 2.937855 4.291718 4.436215 4.200129 5.259210 6.643059 7.637084 9.037640 3.089536 2.567961 1.779020 0.000000 7.285506 3.594924 2.859376 2.182813 3.175977 1.112542 2.156453 4.802083 4.527000 4.498376 2.870383 5.283053 6.707733 7.691314 9.124632 2.611068 3.827941 2.448980 3.088598 0.000000 7.344993 3.978755 3.472924 2.193188 3.341444 1.109914 2.147300 4.714812 5.304811 4.578035 2.640404 5.061574 6.547577 7.303768 8.816861 3.761179 4.347209 2.591530 2.466541 1.766139 0.000000 5.784733 2.215460 2.793268 2.950516 2.837353 3.759697 3.539682 1.105180 3.510304 3.543944 4.831758 4.371804 5.452645 6.537207 7.742978 3.859738 2.904736 3.837550 2.290859 4.710592 4.246311 0.000000 4.352365 2.211011 3.521458 4.202980 2.753924 4.707722 3.961626 1.105252 2.829865 2.738957 5.106623 3.605802 4.322456 5.568843 6.563768 4.347655 3.698808 5.190795 3.851951 5.524629 5.369840 1.783335 0.000000 5.968011 2.202087 2.815510 3.730182 3.508584 4.750722 4.531697 1.106620 2.723650 4.064338 5.944625 5.164118 6.012938 7.313102 8.326644 3.701367 2.459209 4.459647 3.451574 5.454444 5.503155 1.792634 1.789512 0.000000 5.882240 2.188941 2.626857 4.145425 3.513856 4.830757 4.543450 2.842609 1.106404 4.056880 5.888355 5.414455 6.186753 7.688052 8.621753 2.668582 2.521869 4.757959 4.555247 5.041469 5.882041 3.815100 3.310026 2.589855 0.000000 4.139801 2.234185 3.490267 4.772858 2.941252 5.066634 4.244258 2.723689 1.103889 2.816123 5.341170 4.058680 4.574169 6.098305 6.918945 3.668077 3.764017 5.651363 5.022628 5.421192 6.047935 3.787974 2.579264 2.928529 1.777344 0.000000 5.084378 2.214480 2.845479 4.141971 2.757834 4.230220 3.647882 3.504867 1.105535 3.182890 4.725688 4.500078 5.304392 6.787022 7.767507 2.488372 3.372719 4.864748 4.766919 4.241554 5.312799 4.384244 3.793764 3.786894 1.789793 1.790909 0.000000 2.451644 2.696925 4.181311 4.958836 2.196620 4.729758 3.430669 3.154693 2.575606 1.100469 4.073326 2.073953 2.589294 4.105200 5.064462 4.454863 4.833873 6.010219 5.078724 5.219294 5.505509 3.881424 2.631011 3.925400 3.607068 2.047207 2.827204 0.000000 5.624610 4.588960 4.992531 4.292219 3.165301 3.017622 2.185149 5.225184 5.696650 3.519918 1.109253 3.246967 4.568366 4.952080 6.476124 5.273032 6.008966 5.093487 4.334673 3.567273 2.753383 4.926955 5.334471 6.286579 6.630250 6.020680 5.630956 4.607164 0.000000 4.608464 4.288782 4.931356 4.737474 2.770725 3.466864 2.195040 5.237646 4.948147 2.749801 1.102295 2.584937 3.750819 4.392556 5.796024 4.949399 6.006246 5.608939 5.054913 3.693795 3.719732 5.316316 5.223020 6.260920 5.983988 5.168425 4.635367 3.661086 1.785504 0.000000 6.326953 4.666215 4.730959 4.125101 3.391379 2.603690 2.158846 5.737981 5.541734 4.042977 1.106907 4.169870 5.476333 6.079584 7.528583 4.638152 5.821670 4.726048 4.597363 2.552034 2.571926 5.624468 6.041657 6.686481 6.414603 6.071674 5.171658 4.987480 1.774032 1.794344 0.000000 3.362665 4.318214 5.406859 5.281464 2.908732 4.454991 3.047961 4.594419 5.105754 2.167287 2.642258 1.095840 2.210379 2.683573 4.203353 5.826156 6.297451 6.324870 5.149386 5.137455 4.621831 4.574231 4.190109 5.681450 6.147242 4.965086 5.233428 3.079789 2.443912 2.271408 3.702363 0.000000 3.158633 6.612275 7.843091 7.867587 5.268841 6.944739 5.490340 6.858142 7.000782 4.103066 4.728638 2.784918 2.152172 1.110819 2.193433 8.129393 8.724073 8.906181 7.782151 7.459106 7.089731 6.990207 6.195148 7.869795 8.079651 6.571599 6.987571 4.529396 4.535165 3.918515 5.561894 2.637657 0.000000 3.165473 6.374411 7.678825 7.671212 5.224528 7.012589 5.628684 6.214510 6.927703 4.072376 5.195046 2.774580 2.152529 1.110691 2.193891 8.189565 8.421612 8.741485 7.351729 7.744773 7.114953 6.223154 5.431876 7.186783 7.924218 6.424011 7.189745 4.479126 4.810734 4.659013 6.190835 2.613942 1.764536 0.000000 2.789358 7.706121 9.136489 9.524691 6.674202 8.810535 7.290613 7.832859 7.639830 5.246303 6.822806 4.237828 2.836005 2.187006 1.103515 9.373574 9.881272 10.605735 9.469171 9.279635 9.170439 8.228818 6.955049 8.659314 8.631271 6.900873 7.649526 5.118746 6.849989 5.900958 7.676546 4.656733 2.560377 3.112065 0.000000 3.931540 8.437088 9.829100 9.987502 7.316991 9.251033 7.784598 8.367926 8.658157 5.978053 7.196378 4.744197 3.527178 2.189571 1.104873 10.206517 10.576845 11.067539 9.769381 9.846781 9.418927 8.549223 7.478513 9.257543 9.659191 7.978944 8.786315 6.084107 6.941354 6.412128 8.078713 4.817532 2.534724 2.535729 1.794524 0.000000 2.798310 7.503140 8.996261 9.363241 6.640048 8.865127 7.396605 7.274286 7.573874 5.223193 7.156023 4.231716 2.837032 2.186842 1.103509 9.427155 9.615120 10.468033 9.117842 9.512657 9.190650 7.585762 6.282480 8.041731 8.486571 6.761138 7.836763 5.075284 7.036670 6.419491 8.146436 4.643681 3.111662 2.560240 1.772996 1.794437 0.000000 1.0782760 0.2900716 0.2481968 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= 191 191 191 191 191 MxSgAt= 37 MxSgA2= 37. 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 37 37 37 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 37 37 37 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 37 37 37 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 37 37 37 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 37 37 37 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 37 37 37 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 37 37 37 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 37 37 37 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 37 37 37 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 37 37 37 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= 9045 NPrTT= 44932 LenC2= 8279 LenP2D= 27109. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 194 RedAO= T EigKep= 1.21D-03 NBF= 194 NBsUse= 194 1.00D-06 EigRej= -1.00D+00 NBFU= 194 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= 190 190 190 190 190 MxSgAt= 37 MxSgA2= 37. 1 Closed 1 0 1 -620.607187001526 -620.758689714666 -0.151502713140 -620.927630106547 -0.168940391882 -618.295193163977 2.632436942570 -620.711165954565 -2.415972790588 -621.007788735188 -0.296622780623 -621.022557518736 -0.014768783549 -621.024317921560 -0.001760402824 -621.024517244778 -0.000199323218 -621.024517611484 -0.000000366706 -621.024520510865 -0.000002899381 -621.024760896900 -0.000240386035 -621.024761300639 -0.000000403739 -621.024761264752 0.000000035887 -621.024761323405 -0.000000058653 -621.024761329443 -0.000000006037 -621.024761329948 -0.000000000505 -621.024761330058 -0.000000000110 -621.024761330060 -0.000000000002 -621.024761330 19 6.185465342400e+02 -3.466043919316e+03 1.215216901961e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=182739270. IVT= 133860 IEndB= 133860 NGot= 939524096 MDV= 760492167 LenX= 760492167 LenY= 760454090 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= 18915 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -9.44729833e-01 1.03385144e+00 -5.51502220e-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 8 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 0.015105894 -0.045371214 0.029998543 -0.011629293 -0.004029072 0.002575933 0.001955916 0.001076453 -0.000382617 -0.003638373 0.000890960 -0.001371542 -0.009872844 -0.018724822 -0.000901485 0.000151194 -0.003168784 -0.001202857 -0.008486955 0.018785685 -0.003453594 0.003451970 -0.000040119 -0.001673543 0.005386847 0.000395214 0.000444697 -0.031954718 -0.003825770 0.012124426 -0.002772429 -0.001302690 0.009181145 0.044592805 0.003784848 -0.011238470 -0.018046558 0.040281184 -0.024616590 0.006026601 -0.006629888 0.003030040 0.006294248 -0.000309084 -0.000135697 0.000508373 0.000437606 0.007252134 -0.001044474 -0.007384316 -0.002150972 -0.006921916 0.002314101 -0.000474469 0.001889893 -0.001260133 -0.006967936 -0.002912547 0.005222813 0.007022178 0.002845201 0.008838966 -0.001210048 -0.000555482 0.004928207 -0.004100720 0.006394514 -0.001476930 0.000099557 -0.005311778 -0.004658762 0.000103416 -0.005500085 -0.002396846 -0.002019308 0.006211138 -0.002964753 -0.000285948 -0.000056831 0.002359809 0.005903791 0.006669116 -0.009085302 0.001434231 0.004575435 0.004865382 -0.005020171 0.008086767 -0.003704807 -0.001374430 -0.006558725 0.005891432 0.000184175 -0.004051872 0.005760685 -0.003991136 -0.003929522 0.009279106 -0.000734731 -0.004602196 0.004735507 -0.007596268 0.001289177 -0.001729373 0.005141879 0.005684455 0.003714464 -0.003009073 0.000727056 -0.005499758 -0.000584541 0.045371214 0.010308627 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -621.037916589540 -621.037945605725 -0.000029016184 -621.037993121894 -0.000047516169 -621.037989892306 0.000003229588 -621.037993734723 -0.000003842417 -621.037993739059 -0.000000004336 -621.037993788641 -0.000000049582 -621.037993797692 -0.000000009052 -621.037993797696 -0.000000000004 -621.037993797738 -0.000000000043 -621.037993797752 -0.000000000013 -621.037993798 11 6.176621006616e+02 -3.437121039720e+03 1.201265709072e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=182739270. IVT= 133860 IEndB= 133860 NGot= 939524096 MDV= 760492167 LenX= 760492167 LenY= 760454090 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= 18915 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. (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 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 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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 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 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 C 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 H 1S|2S|17 H 1S|2S|18 H 1S|2S|19 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|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 1.13254 0.85917 0.97506 0.86895 1.33158 1.04219 0.99112 0.45456 0.24569 0.34353 1.17439 0.81393 0.72164 0.54511 0.85623 0.84904 0.85374 0.02810 -0.01274 -0.03087 1.17431 0.81417 0.72162 0.65218 0.86706 0.88415 0.90483 0.12616 0.12929 0.17047 1.17427 0.81423 0.72140 0.63422 0.90435 0.85953 0.90016 0.20331 0.06830 0.17115 1.17439 0.81383 0.74399 0.47684 0.88511 0.90459 0.78995 -0.10026 -0.16948 0.22386 1.17427 0.81416 0.72366 0.65316 0.86892 0.89907 0.90510 0.08818 0.17520 0.21038 1.17448 0.81386 0.75188 0.45886 0.88717 0.90611 0.73756 -0.04047 -0.09111 0.19046 1.17427 0.81424 0.72474 0.71061 0.92213 0.90562 0.87100 0.24112 0.22945 0.15385 1.17427 0.81424 0.72424 0.72176 0.92278 0.88875 0.88827 0.22619 0.20488 0.19124 1.17444 0.81380 0.75761 0.58130 0.92432 0.93342 0.72855 -0.00865 0.15579 0.18280 1.17419 0.81426 0.72176 0.75161 0.92356 0.89390 0.91349 0.21215 0.20555 0.23151 1.17438 0.81390 0.74864 0.57072 0.90510 0.90544 0.80470 0.02222 0.14351 0.25939 1.17465 0.81387 0.78927 0.36466 0.93151 0.82242 0.69838 0.04899 0.03174 0.15086 1.17427 0.81418 0.72557 0.64204 0.87062 0.89731 0.90748 0.08266 0.17943 0.19740 1.17424 0.81438 0.72465 0.68480 0.86388 0.91416 0.93020 0.15495 0.18498 0.23455 0.51398 0.28482 0.51497 0.28084 0.51456 0.27728 0.51412 0.27797 0.50925 0.26842 0.51167 0.26666 0.51232 0.26720 0.51157 0.25227 0.51159 0.27527 0.51087 0.27201 0.51294 0.26691 0.51050 0.26497 0.51066 0.24040 0.50668 0.26737 0.50945 0.23070 0.51033 0.25932 0.51714 0.24562 0.50786 0.26729 0.50799 0.26458 0.50884 0.26092 0.51119 0.28311 0.50888 0.26177 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 O 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 -0.244392 0.201432 -0.444234 -0.450910 0.257188 -0.512111 0.211190 -0.747032 -0.756608 -0.243372 -0.841979 -0.348010 0.173651 -0.490968 -0.680780 0.201197 0.204192 0.208158 0.207907 0.222335 0.221667 0.220488 0.236161 0.213139 0.217128 0.220141 0.224528 0.248940 0.225949 0.259853 0.230350 0.237235 0.224848 0.227427 0.230242 0.205702 0.229350 0.00000 -1.10210453e+00 1.22013221e+00 -4.17695386e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.8013 3.1013 -1.0617 4.3119 -92.6780 -91.9043 -93.8764 8.0866 -4.2299 1.1664 0.1415 0.9152 -1.0568 8.0866 -4.2299 1.1664 -13.0653 9.5306 12.8802 -15.1169 30.4337 -8.2155 1.8053 2.1348 1.3481 3.0756 -4630.3110 -1195.1913 -374.7818 100.9163 -20.0129 25.8540 -4.6002 22.0875 -12.9373 -994.9507 -835.2049 -265.2300 17.3214 -3.2981 0.8483 0 -621.0379938 3.302E-9 2.724E-5 0.1052275,0.6804629,-0.7856904,6.0121558,-3.1448368,0.8671944 C01 [X(C14H22O1)] -1.1021045 1.2201322 -0.4176954 @ 0.000018284 -0.000050817 0.000029041 -0.000034351 0.000023841 0.000049587 0.000024132 -0.000026122 -0.000019765 0.000022052 0.000020968 0.000041175 0.000126566 -0.000055439 0.000011087 0.000003255 -0.000008685 -0.000024555 -0.000044663 0.000036541 0.000024622 0.000018225 -0.000021582 -0.000031958 -0.000039859 0.000013872 -0.000037522 -0.000066662 0.000008335 -0.000028221 -0.000000747 -0.000012391 -0.000031900 0.000065966 -0.000026424 0.000036499 -0.000051868 0.000115681 -0.000058771 0.000006538 -0.000049537 0.000021973 -0.000025864 0.000019377 -0.000006354 -0.000004647 -0.000006509 -0.000006165 -0.000013602 0.000010194 0.000006418 0.000008892 0.000007704 -0.000001395 -0.000017535 0.000005035 0.000011348 0.000013963 0.000009339 0.000009648 -0.000006984 -0.000009592 0.000002490 0.000008699 -0.000015077 0.000013026 -0.000009357 0.000003273 0.000007836 -0.000004874 0.000003253 0.000000716 -0.000001506 0.000007512 -0.000001618 -0.000004632 -0.000006349 -0.000004418 0.000005644 -0.000011116 -0.000009320 0.000009996 0.000029218 -0.000011514 0.000000372 -0.000004588 0.000008928 -0.000014121 0.000003686 0.000006119 0.000004533 0.000008926 0.000007846 -0.000009830 -0.000005680 -0.000004617 0.000005036 -0.000000202 -0.000005480 0.000000606 0.000004856 -0.000002110 0.000005376 -0.000010343 -0.000008096 -0.000002349 -0.000010497 0.000002493 0.000005315 -0.000000660 0.000002924 184.14919999999995 AuxInfo=1/0/N:15,11,8,9,14,4,6,12,10,3,7,13,5,2,1/E:(3,4)/CRV:8.3,9.3,11.3,12.3,13.3,15.1/rA:37O1CCCC3CC3CCC3CC3C3CCHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s3;s2;s4;s5s6;s2;s2;s5;s7;s10;s1s12;s13;s14;s3;s3;s4;s4;s6;s6;s8;s8;s8;s9;s9;s9;s10;s11;s11;s11;s12;s14;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2034 CBGUSER 000061072 EM64L-G09RevD.01 4-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 105 C1[X(C14H22O)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 184.14919999999995 0 1 AuxInfo=1/0/N:15,11,8,9,14,4,6,12,10,3,7,13,5,2,1/E:(3,4)/CRV:8.3,9.3,11.3,12.3,13.3,15.1/rA:37O1CCCC3CC3CCC3CC3C3CCHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s3;s2;s4;s5s6;s2;s2;s5;s7;s10;s1s12;s13;s14;s3;s3;s4;s4;s6;s6;s8;s8;s8;s9;s9;s9;s10;s11;s11;s11;s12;s14;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-26567.inp" -scrdir="/scratch/" chk=000061072-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 000061072 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 16 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 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 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 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 (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| 0.000179 0.000032 0.018000 0.004772 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -5.548928e-07 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 997.1552355518 194 448 194 57 57 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 37 37 37 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 0 184.14919999999995 AuxInfo=1/0/N:15,11,8,9,14,4,6,12,10,3,7,13,5,2,1/E:(3,4)/CRV:8.3,9.3,11.3,12.3,13.3,15.1/rA:37O1CCCC3CC3CCC3CC3C3CCHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s3;s2;s4;s5s6;s2;s2;s5;s7;s10;s1s12;s13;s14;s3;s3;s4;s4;s6;s6;s8;s8;s8;s9;s9;s9;s10;s11;s11;s11;s12;s14;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.098700 0.000000 6.598267 1.557188 0.000000 7.209789 2.577482 1.537820 0.000000 4.343929 1.559139 2.575760 2.909655 0.000000 6.772042 3.034352 2.499754 1.537930 2.549204 0.000000 5.301591 2.578333 2.885120 2.560058 1.384811 1.523064 0.000000 5.215640 1.558067 2.549646 3.252349 2.539773 4.004231 3.582138 0.000000 4.928636 1.560034 2.505583 3.883971 2.566335 4.262462 3.694021 2.532134 0.000000 2.880521 2.547004 3.901758 4.356907 1.470304 3.920427 2.514385 3.093554 2.991329 0.000000 5.362644 4.005520 4.379283 3.901946 2.571332 2.536425 1.518827 4.929583 4.943191 3.060004 0.000000 2.421794 3.836043 5.123459 5.314466 2.577427 4.657810 3.168727 4.139395 4.354017 1.374671 3.112762 0.000000 1.270697 4.961244 6.377907 6.725197 3.908729 6.127942 4.628875 5.098836 5.157035 2.490833 4.474165 1.487980 0.000000 2.450741 6.317010 7.667666 7.809844 5.138809 7.080978 5.607910 6.358426 6.654319 3.841312 5.127180 2.562390 1.534495 0.000000 2.837504 7.506053 8.937440 9.211752 6.458427 8.543177 7.050341 7.467404 7.632965 5.062354 6.604504 3.924833 2.573440 1.536954 0.000000 6.879948 2.186170 1.109743 2.164024 2.968184 2.701130 3.125974 3.482657 2.578321 4.245010 4.478358 5.499199 6.722327 8.048354 9.294165 0.000000 7.243009 2.178076 1.107336 2.194232 3.507339 3.477270 3.949569 2.642416 2.833775 4.709301 5.457409 5.957962 7.128768 8.451812 9.660737 1.780192 0.000000 8.295367 3.536794 2.189620 1.106369 3.977011 2.183938 3.503862 4.173673 4.681044 5.437687 4.713067 6.397684 7.817897 8.889152 10.303440 2.531678 2.509311 0.000000 7.188982 2.814131 2.184307 1.107334 3.129913 2.178747 2.919109 2.937855 4.291718 4.436215 4.200130 5.259210 6.643060 7.637083 9.037640 3.089537 2.567962 1.779020 0.000000 7.285506 3.594925 2.859376 2.182813 3.175978 1.112542 2.156453 4.802083 4.527000 4.498375 2.870383 5.283052 6.707733 7.691314 9.124632 2.611068 3.827941 2.448980 3.088598 0.000000 7.344993 3.978756 3.472924 2.193188 3.341445 1.109914 2.147300 4.714813 5.304811 4.578035 2.640405 5.061574 6.547577 7.303768 8.816862 3.761180 4.347209 2.591530 2.466542 1.766139 0.000000 5.784733 2.215460 2.793268 2.950516 2.837353 3.759696 3.539682 1.105180 3.510304 3.543944 4.831758 4.371805 5.452645 6.537207 7.742978 3.859738 2.904736 3.837550 2.290858 4.710592 4.246312 0.000000 4.352365 2.211011 3.521458 4.202980 2.753925 4.707722 3.961626 1.105252 2.829864 2.738957 5.106624 3.605803 4.322457 5.568843 6.563768 4.347654 3.698808 5.190795 3.851952 5.524629 5.369840 1.783336 0.000000 5.968010 2.202087 2.815510 3.730182 3.508584 4.750721 4.531697 1.106620 2.723650 4.064338 5.944626 5.164118 6.012938 7.313102 8.326644 3.701367 2.459209 4.459647 3.451574 5.454444 5.503156 1.792633 1.789512 0.000000 5.882240 2.188940 2.626857 4.145424 3.513856 4.830756 4.543450 2.842609 1.106403 4.056880 5.888355 5.414456 6.186753 7.688051 8.621753 2.668582 2.521869 4.757959 4.555247 5.041469 5.882041 3.815100 3.310025 2.589856 0.000000 4.139801 2.234185 3.490267 4.772858 2.941252 5.066634 4.244258 2.723689 1.103889 2.816123 5.341170 4.058680 4.574169 6.098304 6.918945 3.668077 3.764017 5.651363 5.022629 5.421192 6.047935 3.787974 2.579264 2.928530 1.777345 0.000000 5.084379 2.214480 2.845479 4.141972 2.757835 4.230220 3.647882 3.504867 1.105536 3.182890 4.725688 4.500079 5.304392 6.787022 7.767508 2.488372 3.372719 4.864749 4.766920 4.241554 5.312799 4.384244 3.793764 3.786894 1.789793 1.790910 0.000000 2.451644 2.696924 4.181311 4.958836 2.196619 4.729757 3.430669 3.154692 2.575606 1.100470 4.073326 2.073953 2.589295 4.105199 5.064462 4.454863 4.833873 6.010219 5.078724 5.219294 5.505509 3.881424 2.631010 3.925399 3.607068 2.047207 2.827204 0.000000 5.624610 4.588960 4.992531 4.292219 3.165300 3.017621 2.185149 5.225183 5.696650 3.519917 1.109253 3.246966 4.568366 4.952079 6.476124 5.273032 6.008966 5.093487 4.334672 3.567273 2.753383 4.926955 5.334471 6.286579 6.630250 6.020680 5.630957 4.607163 0.000000 4.608464 4.288782 4.931356 4.737474 2.770726 3.466864 2.195041 5.237646 4.948148 2.749801 1.102295 2.584937 3.750819 4.392555 5.796024 4.949400 6.006246 5.608939 5.054913 3.693795 3.719732 5.316316 5.223021 6.260920 5.983988 5.168425 4.635368 3.661086 1.785503 0.000000 6.326953 4.666215 4.730958 4.125100 3.391379 2.603690 2.158847 5.737981 5.541734 4.042977 1.106907 4.169870 5.476333 6.079584 7.528584 4.638152 5.821670 4.726048 4.597363 2.552034 2.571925 5.624468 6.041657 6.686481 6.414602 6.071674 5.171658 4.987480 1.774032 1.794344 0.000000 3.362665 4.318214 5.406859 5.281464 2.908733 4.454991 3.047961 4.594420 5.105755 2.167288 2.642258 1.095840 2.210379 2.683572 4.203353 5.826156 6.297451 6.324870 5.149386 5.137455 4.621832 4.574231 4.190110 5.681450 6.147242 4.965086 5.233429 3.079789 2.443911 2.271408 3.702363 0.000000 3.158633 6.612275 7.843091 7.867587 5.268841 6.944739 5.490340 6.858142 7.000783 4.103066 4.728637 2.784918 2.152172 1.110820 2.193434 8.129393 8.724073 8.906181 7.782151 7.459106 7.089731 6.990207 6.195148 7.869796 8.079651 6.571599 6.987572 4.529397 4.535165 3.918514 5.561894 2.637657 0.000000 3.165473 6.374410 7.678824 7.671212 5.224528 7.012588 5.628683 6.214509 6.927703 4.072376 5.195045 2.774580 2.152529 1.110691 2.193891 8.189565 8.421612 8.741485 7.351728 7.744773 7.114953 6.223154 5.431876 7.186783 7.924218 6.424010 7.189745 4.479125 4.810733 4.659012 6.190835 2.613942 1.764536 0.000000 2.789358 7.706121 9.136488 9.524690 6.674202 8.810534 7.290613 7.832858 7.639830 5.246303 6.822806 4.237828 2.836005 2.187006 1.103514 9.373573 9.881272 10.605735 9.469171 9.279635 9.170439 8.228818 6.955049 8.659314 8.631271 6.900873 7.649526 5.118747 6.849988 5.900958 7.676546 4.656732 2.560377 3.112065 0.000000 3.931541 8.437088 9.829100 9.987502 7.316991 9.251033 7.784598 8.367926 8.658157 5.978053 7.196378 4.744197 3.527178 2.189572 1.104873 10.206518 10.576845 11.067539 9.769381 9.846781 9.418928 8.549224 7.478513 9.257543 9.659191 7.978944 8.786316 6.084107 6.941354 6.412129 8.078713 4.817532 2.534725 2.535730 1.794524 0.000000 2.798310 7.503140 8.996261 9.363240 6.640048 8.865126 7.396605 7.274286 7.573874 5.223194 7.156023 4.231716 2.837032 2.186842 1.103510 9.427155 9.615119 10.468033 9.117841 9.512656 9.190650 7.585762 6.282479 8.041730 8.486570 6.761137 7.836763 5.075283 7.036670 6.419491 8.146436 4.643681 3.111663 2.560240 1.772996 1.794437 0.000000 C14H22O 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 0 184.14919999999995 AuxInfo=1/0/N:15,11,8,9,14,4,6,12,10,3,7,13,5,2,1/E:(3,4)/CRV:8.3,9.3,11.3,12.3,13.3,15.1/rA:37O1CCCC3CC3CCC3CC3C3CCHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s3;s2;s4;s5s6;s2;s2;s5;s7;s10;s1s12;s13;s14;s3;s3;s4;s4;s6;s6;s8;s8;s8;s9;s9;s9;s10;s11;s11;s11;s12;s14;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 1.0782760 0.2900716 0.2481968 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= 9045 NPrTT= 44932 LenC2= 8279 LenP2D= 27109. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 194 RedAO= T EigKep= 1.21D-03 NBF= 194 NBsUse= 194 1.00D-06 EigRej= -1.00D+00 NBFU= 194 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= 190 190 190 190 190 MxSgAt= 37 MxSgA2= 37. 1 Closed 1 0 1 -620.643935922812 -620.782511176682 -0.138575253870 -620.895955504475 -0.113444327793 -618.271297216063 2.624658288413 -620.765109386576 -2.493812170513 -621.021734686257 -0.256625299681 -621.034282166899 -0.012547480643 -621.037453377635 -0.003171210735 -621.037945548983 -0.000492171349 -621.037945999878 -0.000000450895 -621.037951565775 -0.000005565897 -621.037983174701 -0.000031608926 -621.037983407473 -0.000000232773 -621.037983293834 0.000000113639 -621.037983466413 -0.000000172579 -621.037983475151 -0.000000008738 -621.037983475619 -0.000000000468 -621.037983475737 -0.000000000118 -621.037983475748 -0.000000000011 -621.037983476 19 6.176621325246e+02 -3.437121070905e+03 1.201265719353e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=182739598. IVT= 134188 IEndB= 134188 NGot= 939524096 MDV= 760491839 LenX= 760491839 LenY= 760453762 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= 18915 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= 37. Will process 38 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111 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= 939523528 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=182616154. 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= 18915 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 114 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 111 vectors produced by pass 0 Test12= 7.81D-15 1.00D-09 XBig12= 5.19D+02 1.87D+01. AX will form 111 AO Fock derivatives at one time. 111 vectors produced by pass 1 Test12= 7.81D-15 1.00D-09 XBig12= 1.61D+02 2.27D+00. 111 vectors produced by pass 2 Test12= 7.81D-15 1.00D-09 XBig12= 2.96D-01 3.62D-02. 111 vectors produced by pass 3 Test12= 7.81D-15 1.00D-09 XBig12= 1.03D-04 8.51D-04. 49 vectors produced by pass 4 Test12= 7.81D-15 1.00D-09 XBig12= 6.56D-09 5.81D-06. 3 vectors produced by pass 5 Test12= 7.81D-15 1.00D-09 XBig12= 3.13D-13 5.50D-08. 1 vectors produced by pass 6 Test12= 7.81D-15 1.00D-09 XBig12= 3.37D-16 1.36D-09. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 497 with 114 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 166.28 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 226.649 13.034 160.068 -2.458 3.626 112.132 377.892 57.859 302.907 -6.601 16.458 191.390 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2301.400S Sun Jun 4 08:23:41 2017 -18.73550 -9.97127 -9.92064 -9.91772 -9.91183 -9.90942 -9.90226 -9.90037 -9.89847 -9.89453 -9.89414 -9.89038 -9.88105 -9.87988 -9.87574 -0.92797 -0.77705 -0.72097 -0.71733 -0.69694 -0.67390 -0.63017 -0.61353 -0.61037 -0.58776 -0.54883 -0.52129 -0.50408 -0.45996 -0.44979 -0.42946 -0.40988 -0.40608 -0.40225 -0.39666 -0.38113 -0.37796 -0.37046 -0.35903 -0.35472 -0.35326 -0.34407 -0.32773 -0.32484 -0.32194 -0.31739 -0.31056 -0.30574 -0.30434 -0.29923 -0.28980 -0.27972 -0.27092 -0.26135 -0.25185 -0.19561 -0.18703 -0.09273 -0.01075 0.03834 0.07520 0.08631 0.08886 0.09578 0.10659 0.11360 0.11812 0.12182 0.12790 0.13490 0.13584 0.14357 0.14447 0.15288 0.15684 0.16068 0.16845 0.17601 0.17682 0.17908 0.18645 0.18743 0.19235 0.19796 0.20044 0.20186 0.20379 0.21544 0.21870 0.22552 0.23254 0.24149 0.25378 0.25485 0.25831 0.27085 0.27568 0.28017 0.28642 0.29677 0.30284 0.31402 0.31602 0.32971 0.33211 0.34126 0.34678 0.35127 0.37150 0.37425 0.38302 0.39583 0.39742 0.40558 0.40712 0.41142 0.42213 0.44121 0.44941 0.47124 0.47442 0.48334 0.48883 0.49911 0.51593 0.51979 0.53112 0.53454 0.55117 0.56251 0.58528 0.59042 0.60518 0.62907 0.63768 0.67775 0.70282 0.74054 0.76705 0.78208 0.80899 0.83843 0.85921 0.88397 0.89912 0.90875 0.93025 0.94179 0.95645 0.96455 0.98074 1.00094 1.01233 1.05567 1.07010 1.07986 1.08932 1.09207 1.10185 1.10663 1.11408 1.12152 1.13293 1.15028 1.16145 1.18378 1.19728 1.20076 1.21170 1.24025 1.27981 1.28901 1.33346 1.36118 1.40648 1.41663 1.44414 1.46435 1.67090 22.37154 22.49537 22.56601 22.57772 22.58668 22.61957 22.63841 22.64633 22.65966 22.66577 22.68399 22.71233 22.76414 22.78316 41.55502 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 O 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 -0.244393 0.201484 -0.444229 -0.450863 0.257086 -0.512142 0.211222 -0.747039 -0.756614 -0.243308 -0.841981 -0.348016 0.173658 -0.490952 -0.680778 0.201184 0.204188 0.208147 0.207893 0.222335 0.221670 0.220486 0.236159 0.213136 0.217124 0.220141 0.224532 0.248927 0.225950 0.259851 0.230355 0.237227 0.224843 0.227425 0.230242 0.205701 0.229347 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 O C C C C C C C C C C C C C C -0.244393 0.201484 -0.038856 -0.034823 0.257086 -0.068136 0.211222 -0.077257 -0.094817 0.005620 -0.125826 -0.110789 0.173658 -0.038684 -0.015488 0.00000 1.11317454e+00 1.19889238e+00 4.48571537e-01 2.26649050e+02 1.30342836e+01 1.60067781e+02 -2.45814052e+00 3.62554040e+00 1.12132445e+02 -5.0025 0.0005 0.0007 0.0009 3.5388 12.6264 33.9742 39.1650 48.7436 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 33.7595 39.1614 48.7363 69.1746 105.1459 128.7139 137.1872 186.4333 187.9058 203.1855 235.6063 250.9019 262.4226 270.3538 295.5709 298.7564 321.6490 359.2227 367.0738 392.8218 417.0038 450.7975 475.6639 503.6422 535.6197 568.3944 614.6666 644.7923 696.1548 783.8630 797.7759 830.5285 853.1176 876.7191 891.0269 920.6239 926.1463 941.1649 976.9338 988.6023 1001.4122 1005.6997 1010.1518 1025.7117 1045.2096 1051.2097 1065.8047 1082.1636 1121.8094 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