Gaussian 09 GINC-KIMIK2021 CBGUSER 000224409 EM64L-G09RevD.01 2-Dec-2017 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 190.13389999999993 0 1 AuxInfo=1/0/N:10,8,9,11,12,5,6,7,13,4,14,15,3,1,2/E:(2,3)(6,7)/CRV:12.3,15.1/rA:38OO1NCCCCCCCCCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s4;s5;s6;s8s9;s7;s11;s12;s3s13;s1s2s14;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s3;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-29240.inp" -scrdir="/scratch/" chk=000224409.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 000224409 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 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (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 1 1 2 3 3 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 13 14 14 15 38 15 14 36 37 5 6 7 16 8 17 18 9 19 20 11 21 22 10 23 24 10 25 26 27 28 12 29 30 13 31 32 14 33 34 15 35 1.3753 0.9944 1.2064 1.4832 1.0162 1.0194 1.5426 1.5437 1.5422 1.1172 1.5348 1.1061 1.1053 1.5348 1.1053 1.1061 1.5342 1.1063 1.1081 1.5352 1.1057 1.1068 1.5351 1.1069 1.1058 1.1054 1.1068 1.5346 1.1074 1.1076 1.5326 1.1114 1.1066 1.5429 1.1099 1.1081 1.5266 1.1297 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 15 14 14 36 5 5 5 6 6 7 4 4 4 8 8 17 4 4 4 9 9 19 4 4 4 11 11 21 5 5 5 10 10 23 6 6 6 10 10 25 8 8 8 9 9 27 7 7 7 12 12 29 11 11 11 13 13 31 12 12 12 14 14 33 3 3 3 13 13 15 1 1 2 1 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 38 36 37 37 6 7 16 7 16 16 8 17 18 17 18 18 9 19 20 19 20 20 11 21 22 21 22 22 10 23 24 23 24 24 10 25 26 25 26 26 9 27 28 27 28 28 12 29 30 29 30 30 13 31 32 31 32 32 14 33 34 33 34 34 13 15 35 15 35 35 2 14 14 112.9426 110.4795 111.2393 107.5436 110.0008 111.3424 108.4321 110.044 108.1963 108.746 111.1216 109.8522 110.0071 109.7572 109.8926 106.0857 111.0919 110.0642 109.906 109.7677 109.7474 106.1428 112.2537 109.9582 109.4314 110.1191 109.3571 105.4948 111.2625 109.8696 109.8241 109.9278 109.7385 106.0863 111.345 109.7866 109.8278 109.7467 109.9295 106.0678 111.1296 110.0136 109.7132 109.9996 109.7095 106.1524 111.2587 109.8817 109.7001 110.0663 109.9602 105.831 111.2562 109.8325 109.6763 110.104 110.3084 105.5059 113.8462 109.8668 109.8044 108.9666 108.8307 105.157 116.277 106.7456 107.1394 109.3595 108.6936 108.3696 120.2351 109.1331 130.6125 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 38 38 36 36 36 37 37 37 6 6 6 7 7 7 16 16 16 5 5 5 7 7 7 16 16 16 5 5 5 6 6 6 16 16 16 4 4 4 17 17 17 18 18 18 4 4 4 19 19 19 20 20 20 4 4 4 21 21 21 22 22 22 5 5 5 23 23 23 24 24 24 6 6 6 25 25 25 26 26 26 7 7 7 29 29 29 30 30 30 11 11 11 31 31 31 32 32 32 12 12 12 33 33 33 34 34 34 3 3 13 13 35 35 1 1 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 15 15 14 14 14 14 14 14 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 2 14 13 15 35 13 15 35 8 17 18 8 17 18 8 17 18 9 19 20 9 19 20 9 19 20 11 21 22 11 21 22 11 21 22 10 23 24 10 23 24 10 23 24 10 25 26 10 25 26 10 25 26 12 29 30 12 29 30 12 29 30 9 27 28 9 27 28 9 27 28 8 27 28 8 27 28 8 27 28 13 31 32 13 31 32 13 31 32 14 33 34 14 33 34 14 33 34 3 15 35 3 15 35 3 15 35 1 2 1 2 1 2 1.8709 -179.5611 55.0284 177.3468 -66.7288 -64.3368 57.9815 173.906 56.773 -64.8785 178.7005 179.0368 57.3853 -59.0357 -61.3648 176.9837 60.5627 -56.6633 -178.452 64.9926 -179.6927 58.5186 -58.0368 61.62 -60.1688 -176.7242 71.1633 -51.7927 -167.2283 -166.5979 70.4461 -44.9895 -48.2485 -171.2045 73.3599 -56.3892 -178.3616 65.3131 65.3177 -56.6547 -172.98 -178.3834 59.6443 -56.6811 56.2192 -65.5228 178.2204 178.1807 56.4387 -59.8181 -65.5292 172.7288 56.472 179.1143 -58.7323 57.2191 -58.0203 64.1331 -179.9155 57.4634 179.6168 -64.4318 55.1794 177.2521 -66.3235 177.118 -60.8092 55.6151 -66.5727 55.5 171.9244 -55.1345 -177.2153 66.3706 66.6307 -55.4501 -171.8642 -177.0768 60.8424 -55.5717 179.5337 -58.3005 57.2168 57.4873 179.653 -64.8297 -58.7223 63.4435 178.9608 173.4545 50.9371 -64.252 51.4461 -71.0712 173.7396 -64.5946 172.888 57.6988 56.3939 -64.5409 177.326 179.4043 58.4695 -59.6635 -66.4341 172.6311 54.498 129.9131 -51.7167 -103.5213 74.8489 14.814 -166.8158 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 228 228 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 38 38 38 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= 9316 NPrTT= 46137 LenC2= 8083 LenP2D= 26077. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 196 RedAO= T EigKep= 1.34D-03 NBF= 196 NBsUse= 196 1.00D-06 EigRej= -1.00D+00 NBFU= 196 Using GEDIIS/GDIIS optimizer. local minimum Step number 10 out of a maximum of 228 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00115 0.00228 0.00247 0.00300 0.00312 0.00396 0.00464 0.00482 0.00516 0.00572 0.01701 0.01808 0.01858 0.02073 0.03314 0.03416 0.03486 0.03496 0.03570 0.03640 0.03821 0.04120 0.04524 0.04535 0.04617 0.04726 0.04750 0.04753 0.04794 0.04814 0.04822 0.04937 0.05151 0.05458 0.05568 0.05972 0.06442 0.06503 0.08017 0.08075 0.08119 0.08206 0.08253 0.08321 0.08367 0.08391 0.08642 0.08669 0.08703 0.12023 0.12096 0.12123 0.12204 0.12450 0.12485 0.14262 0.14597 0.15918 0.16062 0.16131 0.16518 0.17687 0.18617 0.20829 0.21526 0.21909 0.22141 0.22803 0.23560 0.25706 0.26694 0.27058 0.27414 0.27742 0.28587 0.28774 0.28836 0.29012 0.29050 0.29195 0.30580 0.30846 0.31197 0.31896 0.32560 0.32618 0.32825 0.32842 0.32877 0.32920 0.32936 0.32943 0.32963 0.32998 0.33013 0.33014 0.33046 0.33064 0.33082 0.33116 0.33159 0.33303 0.34535 0.44666 0.45131 0.48642 0.51055 0.89126 RFO step: Lambda=-7.96924297D-07. 1 2 3 0.00201720 0.00000377 0.00000000 0.00000334 0.00000029 0.00000029 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 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 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 2.64474 1.88107 2.36383 2.76464 1.92755 1.93233 2.93262 2.93285 2.92912 2.10518 2.92536 2.10057 2.09243 2.92315 2.09508 2.10016 2.92201 2.09966 2.09916 2.92320 2.09335 2.09812 2.92337 2.09785 2.09327 2.09299 2.09791 2.92052 2.09555 2.09876 2.91541 2.09651 2.09652 2.97248 2.09253 2.09673 2.87983 2.09566 1.90520 2.02245 2.00829 2.01562 1.91927 1.96674 1.87965 1.93166 1.87884 1.88452 1.95805 1.89492 1.92525 1.90682 1.91297 1.86323 1.96262 1.91367 1.89752 1.92161 1.90470 1.86073 2.00714 1.90239 1.89464 1.90692 1.89416 1.85235 1.94651 1.92019 1.90451 1.92467 1.90332 1.86254 1.94111 1.90659 1.92202 1.90427 1.92480 1.86325 1.93602 1.92545 1.90477 1.92610 1.90460 1.86532 1.96686 1.92056 1.90620 1.90179 1.90929 1.85582 1.96713 1.90390 1.90900 1.91714 1.90933 1.85388 1.99947 1.92420 1.91293 1.89396 1.86241 1.86533 2.01147 1.88629 1.92928 1.90938 1.86110 1.86076 2.13297 1.94531 2.20462 -0.00448 3.11328 0.73757 2.87908 -1.37384 -1.68867 0.45284 2.48310 0.94739 -1.16172 3.08546 3.11140 1.00228 -1.03373 -1.09524 3.07883 1.04283 -0.95210 -3.09610 1.15903 -3.13635 1.00284 -1.02521 1.09103 -1.05296 -3.08102 1.11705 -1.03067 -3.04102 -3.00899 1.12647 -0.88388 -0.95666 -3.10439 1.16845 -0.96719 -3.10864 1.13664 1.13505 -1.00641 -3.04431 -3.11219 1.02954 -1.00836 0.97064 -1.13232 3.10984 3.11017 1.00721 -1.03382 -1.13638 3.04385 1.00282 3.04586 -1.11090 0.92008 -1.09202 1.03441 3.06539 0.92049 3.04692 -1.20529 0.96155 3.10131 -1.13743 3.10044 -1.04299 1.00146 -1.14297 0.99678 3.04123 -0.96058 -3.09997 1.13850 1.14374 -0.99565 -3.04037 -3.09818 1.04562 -0.99910 3.13757 -1.01129 1.00956 1.00056 3.13489 -1.12745 -1.02159 1.11274 3.13359 -3.03698 1.10407 -0.94453 1.11934 -1.02279 -3.07140 -0.90916 -3.05129 1.18329 1.07705 -1.05209 -3.05806 -3.04775 1.10630 -0.89967 -1.04332 3.11073 1.10476 2.85509 -0.31153 -1.22545 1.89112 0.78074 -2.38588 -0.00008 0.00008 0.00044 0.00015 0.00004 0.00000 0.00002 -0.00005 -0.00002 0.00001 -0.00002 0.00000 -0.00001 -0.00002 0.00001 0.00000 -0.00005 0.00002 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00002 -0.00001 0.00001 -0.00003 0.00002 -0.00001 -0.00015 0.00006 -0.00002 -0.00003 -0.00003 0.00000 -0.00007 -0.00002 0.00004 0.00001 0.00004 -0.00001 -0.00006 0.00001 0.00001 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00003 0.00000 -0.00001 0.00000 -0.00002 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00002 -0.00001 0.00000 0.00000 -0.00002 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00006 0.00002 0.00003 0.00001 0.00000 0.00000 -0.00007 0.00004 0.00001 0.00001 0.00004 -0.00001 -0.00007 -0.00002 0.00001 0.00006 0.00003 -0.00001 0.00000 0.00008 -0.00006 -0.00006 0.00002 0.00002 -0.00016 0.00013 0.00003 0.00004 -0.00006 -0.00003 -0.00005 -0.00001 0.00002 0.00000 0.00003 0.00001 0.00001 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0.00005 0.00000 0.00001 0.00014 0.00010 0.00010 0.00005 0.00000 0.00001 0.00033 0.00027 0.00025 0.00034 0.00028 0.00025 0.00035 0.00029 0.00027 -0.00045 -0.00048 -0.00014 0.00004 0.00001 0.00036 -0.00004 -0.00007 0.00028 0.00002 -0.00004 0.00001 0.00000 -0.00006 -0.00001 0.00006 0.00000 0.00005 -0.00020 -0.00013 -0.00025 -0.00009 -0.00002 -0.00014 0.00000 0.00008 -0.00004 -0.00068 -0.00091 -0.00074 -0.00071 -0.00093 -0.00077 -0.00088 -0.00110 -0.00094 -0.00170 -0.00188 -0.00158 -0.00165 -0.00182 -0.00153 -0.00181 -0.00199 -0.00169 -0.00058 -0.00130 -0.00161 -0.00083 -0.00155 -0.00186 -0.00053 -0.00126 -0.00156 0.00351 0.00155 0.00372 0.00176 0.00387 0.00191 -0.00004 0.00020 0.00069 0.00076 0.00016 0.00013 0.00010 -0.00013 -0.00011 0.00004 0.00003 0.00004 -0.00005 -0.00005 0.00002 0.00002 -0.00014 0.00006 0.00000 0.00005 -0.00004 0.00001 0.00008 0.00001 -0.00005 -0.00005 0.00001 -0.00002 -0.00003 0.00001 -0.00002 0.00002 -0.00007 -0.00109 0.00013 -0.00004 -0.00009 0.00005 -0.00044 -0.00101 -0.00073 -0.00029 -0.00005 0.00024 0.00011 -0.00035 -0.00005 0.00011 0.00003 0.00002 0.00008 -0.00009 -0.00011 0.00006 0.00000 0.00004 -0.00004 -0.00004 0.00002 0.00002 0.00014 0.00013 -0.00016 0.00011 -0.00023 0.00001 -0.00003 -0.00006 -0.00004 0.00007 -0.00004 0.00011 -0.00002 0.00005 -0.00017 -0.00003 0.00004 0.00014 -0.00018 0.00003 -0.00005 0.00002 0.00006 0.00013 -0.00025 0.00012 0.00008 -0.00002 -0.00009 0.00019 -0.00049 0.00032 -0.00008 -0.00013 0.00030 0.00011 -0.00017 -0.00048 0.00001 0.00058 0.00024 -0.00016 -0.00044 0.00056 -0.00069 0.00062 0.00001 -0.00005 -0.00081 0.00082 -0.00005 0.00104 -0.00032 -0.00756 -0.00662 -0.00673 -0.00486 -0.00392 -0.00403 -0.00007 0.00000 -0.00013 -0.00039 -0.00032 -0.00045 -0.00004 0.00003 -0.00010 -0.00001 0.00001 -0.00001 -0.00003 -0.00001 -0.00004 0.00006 0.00009 0.00006 0.00259 0.00225 0.00225 0.00243 0.00209 0.00210 0.00223 0.00189 0.00190 -0.00006 -0.00008 -0.00016 -0.00007 -0.00009 -0.00017 -0.00011 -0.00013 -0.00021 0.00026 0.00027 0.00018 0.00028 0.00029 0.00020 0.00029 0.00031 0.00021 0.00064 0.00053 0.00087 0.00099 0.00088 0.00122 0.00094 0.00083 0.00116 0.00016 0.00009 0.00024 0.00011 0.00003 0.00018 0.00026 0.00019 0.00033 -0.00027 -0.00020 -0.00040 -0.00024 -0.00017 -0.00037 -0.00007 0.00000 -0.00020 -0.00126 -0.00152 -0.00126 -0.00123 -0.00149 -0.00123 -0.00139 -0.00165 -0.00139 -0.00227 -0.00254 -0.00207 -0.00226 -0.00253 -0.00206 -0.00248 -0.00275 -0.00228 0.00034 -0.00057 -0.00082 0.00005 -0.00087 -0.00112 0.00027 -0.00064 -0.00090 0.00376 0.00232 0.00401 0.00257 0.00430 0.00286 2.64470 1.88126 2.36452 2.76539 1.92771 1.93246 2.93271 2.93272 2.92901 2.10521 2.92538 2.10060 2.09238 2.92310 2.09510 2.10018 2.92188 2.09972 2.09915 2.92325 2.09331 2.09812 2.92344 2.09786 2.09322 2.09294 2.09792 2.92050 2.09552 2.09877 2.91540 2.09653 2.09646 2.97140 2.09266 2.09670 2.87974 2.09570 1.90475 2.02144 2.00756 2.01533 1.91922 1.96698 1.87976 1.93130 1.87879 1.88463 1.95808 1.89494 1.92534 1.90674 1.91286 1.86329 1.96262 1.91371 1.89748 1.92158 1.90471 1.86076 2.00727 1.90252 1.89448 1.90703 1.89393 1.85236 1.94648 1.92013 1.90447 1.92473 1.90328 1.86266 1.94109 1.90663 1.92184 1.90425 1.92484 1.86339 1.93584 1.92549 1.90472 1.92612 1.90466 1.86545 1.96661 1.92067 1.90628 1.90177 1.90920 1.85601 1.96664 1.90422 1.90893 1.91701 1.90963 1.85399 1.99930 1.92373 1.91294 1.89454 1.86265 1.86518 2.01103 1.88686 1.92859 1.91000 1.86111 1.86071 2.13217 1.94613 2.20458 -0.00344 3.11296 0.73001 2.87246 -1.38057 -1.69353 0.44892 2.47907 0.94733 -1.16172 3.08533 3.11100 1.00196 -1.03418 -1.09528 3.07887 1.04273 -0.95211 -3.09609 1.15902 -3.13638 1.00283 -1.02525 1.09110 -1.05288 -3.08095 1.11964 -1.02842 -3.03877 -3.00655 1.12857 -0.88178 -0.95443 -3.10249 1.17034 -0.96724 -3.10871 1.13649 1.13498 -1.00649 -3.04448 -3.11230 1.02941 -1.00857 0.97090 -1.13205 3.11002 3.11045 1.00750 -1.03362 -1.13608 3.04416 1.00304 3.04650 -1.11037 0.92095 -1.09103 1.03529 3.06660 0.92143 3.04774 -1.20412 0.96172 3.10140 -1.13719 3.10055 -1.04296 1.00164 -1.14271 0.99697 3.04156 -0.96086 -3.10017 1.13809 1.14349 -0.99582 -3.04074 -3.09824 1.04563 -0.99930 3.13630 -1.01281 1.00830 0.99933 3.13340 -1.12867 -1.02298 1.11109 3.13220 -3.03925 1.10154 -0.94660 1.11708 -1.02532 -3.07345 -0.91164 -3.05404 1.18100 1.07739 -1.05266 -3.05889 -3.04770 1.10543 -0.90079 -1.04305 3.11008 1.10386 2.85884 -0.30922 -1.22144 1.89368 0.78504 -2.38302 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000437 0.000043 0.009582 0.002017 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.323945e-06 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 1 1 2 3 3 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 13 14 14 15 38 15 14 36 37 5 6 7 16 8 17 18 9 19 20 11 21 22 10 23 24 10 25 26 27 28 12 29 30 13 31 32 14 33 34 15 35 1.3995 0.9954 1.2509 1.463 1.02 1.0225 1.5519 1.552 1.55 1.114 1.548 1.1116 1.1073 1.5469 1.1087 1.1114 1.5463 1.1111 1.1108 1.5469 1.1078 1.1103 1.547 1.1101 1.1077 1.1076 1.1102 1.5455 1.1089 1.1106 1.5428 1.1094 1.1094 1.573 1.1073 1.1095 1.5239 1.109 -DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0004|-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 = -0.0002|-DE/DX = 0.0001|-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 15 14 14 36 5 5 5 6 6 7 4 4 4 8 8 17 4 4 4 9 9 19 4 4 4 11 11 21 5 5 5 10 10 23 6 6 6 10 10 25 8 8 8 9 9 27 7 7 7 12 12 29 11 11 11 13 13 31 12 12 12 14 14 33 3 3 3 13 13 15 1 1 2 1 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 38 36 37 37 6 7 16 7 16 16 8 17 18 17 18 18 9 19 20 19 20 20 11 21 22 21 22 22 10 23 24 23 24 24 10 25 26 25 26 26 9 27 28 27 28 28 12 29 30 29 30 30 13 31 32 31 32 32 14 33 34 33 34 34 13 15 35 15 35 35 2 14 14 109.1598 115.8777 115.0665 115.4863 109.9659 112.6856 107.6962 110.6759 107.6496 107.9752 112.1878 108.5709 110.3088 109.253 109.6053 106.7549 112.4498 109.6454 108.7199 110.1002 109.1311 106.6122 115.0004 108.9992 108.555 109.2584 108.5274 106.1316 111.527 110.0187 109.1205 110.2752 109.0523 106.7159 111.2171 109.2395 110.1234 109.1068 110.2829 106.7566 110.926 110.3204 109.1352 110.3571 109.1255 106.875 112.6926 110.0398 109.2174 108.9646 109.3942 106.3308 112.708 109.0856 109.3779 109.8437 109.3968 106.2197 114.5612 110.2487 109.6028 108.5161 106.7084 106.8758 115.2488 108.0765 110.5396 109.3995 106.6333 106.6136 122.2105 111.458 126.3157 -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 = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 = -0.0001|-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 = 0.0|-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 = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0002|-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 38 38 36 36 36 37 37 37 6 6 6 7 7 7 16 16 16 5 5 5 7 7 7 16 16 16 5 5 5 6 6 6 16 16 16 4 4 4 17 17 17 18 18 18 4 4 4 19 19 19 20 20 20 4 4 4 21 21 21 22 22 22 5 5 5 23 23 23 24 24 24 6 6 6 25 25 25 26 26 26 7 7 7 29 29 29 30 30 30 11 11 11 31 31 31 32 32 32 12 12 12 33 33 33 34 34 34 3 3 13 13 35 1 1 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 15 15 14 14 14 14 14 14 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 2 14 13 15 35 13 15 35 8 17 18 8 17 18 8 17 18 9 19 20 9 19 20 9 19 20 11 21 22 11 21 22 11 21 22 10 23 24 10 23 24 10 23 24 10 25 26 10 25 26 10 25 26 12 29 30 12 29 30 12 29 30 9 27 28 9 27 28 9 27 28 8 27 28 8 27 28 8 27 28 13 31 32 13 31 32 13 31 32 14 33 34 14 33 34 14 33 34 3 15 35 3 15 35 3 15 35 1 2 1 2 1 -0.2564 178.378 42.2597 164.9593 -78.7152 -96.7539 25.9456 142.2711 54.2817 -66.5617 176.7837 178.2699 57.4264 -59.2282 -62.7524 176.4042 59.7496 -54.5515 -177.3935 66.4076 -179.6994 57.4586 -58.7402 62.5116 -60.3304 -176.5292 64.0025 -59.0531 -174.2379 -172.4022 64.5422 -50.6426 -54.8126 -177.8682 66.947 -55.4157 -178.1119 65.1249 65.0333 -57.6628 -174.4261 -178.3156 58.9882 -57.775 55.6134 -64.877 178.1805 178.1995 57.7091 -59.2334 -65.1096 174.3999 57.4575 174.5148 -63.6498 52.7167 -62.5681 59.2673 175.6338 52.7402 174.5756 -69.0579 55.0929 177.6919 -65.1697 177.642 -59.759 57.3794 -65.4876 57.1113 174.2497 -55.0374 -177.6151 65.2311 65.5313 -57.0463 -174.2002 -177.5124 59.9099 -57.244 179.7693 -57.9427 57.8435 57.3278 179.6159 -64.5979 -58.5326 63.7554 179.5416 -174.0061 63.2588 -54.1177 64.1335 -58.6016 -175.9781 -52.091 -174.826 67.7975 61.7104 -60.2805 -175.2141 -174.623 63.3861 -51.5474 -59.7776 178.2315 63.298 163.5844 -17.8496 -70.213 108.353 44.7331 -DE/DX = 0.0|-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 = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001 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 0 190.13389999999993 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7.069483 7.435535 8.109326 7.018064 2.534641 3.097542 1.774614 0.000000 2.721185 3.858133 3.480741 5.339737 5.847570 6.674571 4.283050 7.160009 7.851101 8.197378 2.853511 2.188331 1.107318 2.192411 2.779427 5.170785 6.235371 5.205876 6.683583 7.048920 4.832294 4.437315 7.702148 7.070756 7.797528 8.777715 9.121906 8.559445 3.183276 2.635846 2.518066 3.099089 0.000000 3.980668 4.382910 2.791927 5.296966 5.404904 6.687185 4.223060 6.805301 7.864917 7.929695 2.772452 2.181701 1.109544 2.169991 3.464135 5.423254 5.542802 4.665602 6.940120 6.846818 4.434066 4.724864 7.143918 6.928902 8.012368 8.809029 8.890989 8.111454 2.528312 3.083982 3.099867 2.564213 1.780610 0.000000 2.528994 3.220262 2.123347 7.346571 7.725968 8.607582 6.071365 9.149985 9.906956 10.180834 4.738036 3.532555 2.168572 1.108975 2.125703 7.387073 7.857611 7.065919 8.622964 8.761763 6.273550 6.210516 9.570947 9.214727 9.996754 10.781778 11.165856 10.370389 4.858229 4.892114 3.854571 3.825806 2.422966 2.474883 0.000000 4.493048 3.745180 1.020015 6.851163 6.984265 7.968084 5.503242 8.496617 9.324361 9.411227 4.492953 3.329178 2.754180 2.117392 3.343398 7.277409 6.746292 6.458709 8.166449 7.800939 5.235398 5.858984 8.782289 8.870518 9.697823 10.115474 10.459642 9.326157 4.339145 5.187012 4.000971 2.830382 3.761778 2.580249 2.612484 0.000000 3.862047 2.339241 1.022543 7.004733 7.476625 7.909410 5.497634 9.022536 9.385234 9.730553 4.748671 3.294120 3.127650 2.110332 2.481115 7.433143 7.249785 7.147280 7.889362 7.716169 5.222924 5.531777 9.479049 9.396402 9.759492 10.061614 10.816842 9.642922 4.976596 5.438747 3.493526 2.728174 4.052453 3.535510 2.946257 1.727318 0.000000 0.995418 2.395911 4.365634 7.694310 8.669731 8.604169 6.421784 9.997726 9.939725 10.702866 5.545187 4.347922 3.882659 3.282870 1.965708 7.514834 8.986630 8.313051 8.179747 8.924626 6.874361 5.957905 10.734532 9.910783 9.850185 10.641023 11.660646 11.036989 6.284479 5.395579 3.699578 4.912280 3.573661 4.898290 3.473025 5.278654 4.392102 0.000000 1.5041473 0.1634461 0.1581442 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= 189 189 189 190 190 MxSgAt= 38 MxSgA2= 38. 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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= 9316 NPrTT= 46137 LenC2= 8041 LenP2D= 25910. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 196 RedAO= T EigKep= 1.42D-03 NBF= 196 NBsUse= 196 1.00D-06 EigRej= -1.00D+00 NBFU= 196 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= 189 189 189 189 189 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 0 1 -674.947971528885 -675.104369904989 -0.156398376104 -675.289710345319 -0.185340440330 -674.330139030179 0.959571315140 -675.267920456591 -0.937781426412 -675.383532055644 -0.115611599053 -675.383777119324 -0.000245063680 -675.383991581167 -0.000214461843 -675.384007145199 -0.000015564032 -675.384190599685 -0.000183454486 -675.384190713090 -0.000000113404 -675.384190791981 -0.000000078891 -675.384190859649 -0.000000067668 -675.384190881992 -0.000000022344 -675.384190882551 -0.000000000558 -675.384190882544 0.000000000007 -675.384190882551 -0.000000000007 -675.384190883 17 6.724052215190e+02 -3.586858811579e+03 1.232511720650e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=190329285. IVT= 136226 IEndB= 136226 NGot= 939524096 MDV= 753017400 LenX= 753017400 LenY= 752978543 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= 19306 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 5.99039862e-01 -4.38150410e-01 4.15989046e-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 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.016752268 -0.005067714 0.024871590 0.023536186 0.047571686 -0.047603367 0.003045627 0.001467604 0.002942979 -0.002760262 0.003240879 -0.007949519 -0.002166477 -0.001585430 0.005470442 0.000470466 0.002513627 0.004230459 0.002029967 0.002041969 0.005914019 0.003259436 -0.007609470 0.000449643 0.005625140 0.005889244 -0.003303982 0.006391093 -0.000389792 0.001818747 -0.001337160 0.000055410 -0.004793674 -0.000291148 0.003516928 0.002342058 0.002867827 -0.002079420 0.004198376 -0.016052895 -0.008855405 0.002078539 -0.018751543 -0.043782998 0.034605532 0.000134048 -0.000582913 -0.002724333 0.000389936 0.001295831 -0.003194816 -0.000257951 -0.001322700 0.001151206 -0.001688676 0.001700397 0.000636491 -0.000183442 -0.002212008 -0.002308104 0.000885140 -0.002318854 -0.001700129 -0.001008918 0.001353342 0.001332603 0.000953568 -0.001722979 0.000013608 -0.000646972 0.001608487 0.001540989 -0.000986583 -0.000510440 0.002031522 0.001505930 0.001100315 -0.000632864 0.001685456 -0.000078618 0.000741243 -0.001227034 -0.000335978 -0.002071799 -0.001206321 -0.001179890 -0.000708357 -0.000507289 0.001714540 0.000727092 0.001845944 -0.002471316 0.001289532 0.000985501 -0.002014135 -0.001220887 -0.000183119 0.001283197 -0.000251570 -0.000837396 -0.001360169 -0.001546051 0.008437854 0.011477826 -0.008016798 -0.001486229 -0.013556236 -0.000946462 0.001314790 0.009849820 -0.006341764 0.002967775 0.001355365 -0.003072194 0.047603367 0.009827190 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -675.395210442457 -675.395391325539 -0.000180883082 -675.395391617108 -0.000000291569 -675.395468110994 -0.000076493886 -675.395467872763 0.000000238231 -675.395468345152 -0.000000472389 -675.395468432887 -0.000000087736 -675.395468468208 -0.000000035321 -675.395468468332 -0.000000000123 -675.395468468471 -0.000000000140 -675.395468468443 0.000000000028 -675.395468468 11 6.718827092059e+02 -3.567494930015e+03 1.223149821491e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=190329285. IVT= 136226 IEndB= 136226 NGot= 939524096 MDV= 753017400 LenX= 753017400 LenY= 752978543 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= 19306 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 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 -18.815753 -18.772382 -13.970199 -10.039792 -9.949024 -9.900372 -9.891184 -9.890355 -9.888188 -9.884144 -9.884014 -9.883548 -9.883322 -9.882204 -9.881954 -1.022014 -0.942089 -0.809086 -0.748999 -0.719717 -0.688696 -0.660629 -0.658314 -0.620365 -0.572973 -0.542972 -0.534715 -0.520824 -0.505950 -0.485228 -0.468596 -0.428164 -0.424052 -0.415520 -0.414008 -0.398453 -0.386274 -0.383788 -0.381216 -0.375650 -0.362232 -0.353641 -0.347270 -0.332450 -0.326512 -0.322231 -0.312559 -0.302048 -0.291301 -0.288359 -0.286105 -0.283598 -0.279184 -0.274076 -0.263617 -0.247604 -0.243948 -0.238423 -0.174899 -0.054272 0.032718 0.068018 0.084516 0.094072 0.100399 0.104285 0.106239 0.114042 0.117239 0.120346 0.126320 0.133206 0.138751 0.145545 0.146646 0.157937 0.161064 0.166713 0.174288 0.180079 0.183412 0.188760 0.192381 0.198973 0.201127 0.204276 0.207003 0.209907 0.212842 0.219863 0.224771 0.227276 0.239778 0.243357 0.250931 0.260173 0.264289 0.276337 0.283141 0.298696 0.304012 0.314921 0.316609 0.327992 0.336040 0.348730 0.359783 0.363641 0.373246 0.375226 0.378377 0.385436 0.393168 0.400627 0.416672 0.419339 0.436932 0.442806 0.455001 0.468529 0.469825 0.480907 0.488576 0.496357 0.496699 0.511742 0.527099 0.541146 0.548986 0.556278 0.593657 0.594326 0.614671 0.625351 0.627960 0.691275 0.718268 0.736262 0.758000 0.771270 0.803045 0.810765 0.837050 0.842595 0.853641 0.888285 0.912118 0.921569 0.957482 0.959998 0.968991 0.985751 1.001431 1.006583 1.016121 1.019928 1.031233 1.055808 1.065002 1.074749 1.095776 1.114993 1.122623 1.148612 1.156569 1.160438 1.183077 1.201330 1.203068 1.211485 1.232464 1.255806 1.290921 1.327326 1.396002 1.424101 1.442988 1.447193 1.565711 1.625989 1.712428 22.396644 22.477055 22.548001 22.590436 22.608373 22.615154 22.647344 22.677650 22.679515 22.692008 22.699579 22.709266 31.488883 41.457574 41.532572 29.116056 29.117061 22.049160 15.956940 15.958943 15.957490 15.958985 15.957743 15.957878 15.957462 15.958482 15.958631 15.958272 15.957763 15.957749 2.509065 2.847687 1.764147 1.288909 1.386974 1.466187 1.501378 1.432048 1.550785 1.577341 1.449048 1.541366 1.414858 1.298834 1.065109 1.300603 1.623931 1.409578 1.061803 1.347385 1.499844 1.122157 1.373590 1.052844 1.207381 1.446021 1.158635 1.595824 1.400056 1.552560 1.188927 1.228134 1.266816 1.248504 1.238764 1.263124 1.465231 2.000542 1.118118 1.069129 1.383299 1.399099 2.384104 1.663003 2.312696 1.551446 1.263718 1.019657 1.148890 1.111196 1.072196 0.960624 1.042298 1.069640 1.421970 1.658604 1.209640 0.923696 1.414899 1.325599 1.381328 1.214306 1.242045 1.321797 1.313555 1.397270 1.187261 1.213524 1.264947 1.475793 1.412796 1.554780 1.510280 1.388311 1.161241 1.351992 1.252032 1.648423 1.470007 1.422165 1.345720 1.414098 1.662175 1.507576 1.295609 1.293957 1.521558 1.444354 1.660451 1.837409 1.465649 1.380301 1.792393 1.826102 1.773923 1.647455 2.113510 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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 38 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 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 N 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|38 H 1S|2S 1.13237 0.85936 0.95470 0.88797 1.24735 1.08113 1.11601 0.49289 0.29330 0.34824 1.13254 0.85915 0.97665 0.85321 1.03952 1.19149 1.14432 0.38116 0.34605 0.31711 1.15918 0.83132 0.82059 0.75861 1.22985 0.97626 0.90467 0.56550 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0.51270 0.30145 0.51712 0.27670 0.51531 0.28806 0.51289 0.29701 0.51316 0.29019 0.51354 0.29459 0.51514 0.28941 0.51335 0.29723 0.51359 0.29521 0.51515 0.28938 0.51541 0.28673 0.51332 0.29957 0.51537 0.28241 0.51341 0.29589 0.51454 0.27416 0.51216 0.28841 0.51173 0.26126 0.51342 0.27491 0.51260 0.23145 0.50115 0.22708 0.49141 0.19737 0.47308 0.14795 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 O O N C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.413327 -0.241210 -0.624592 0.035691 -0.451370 -0.450084 -0.446367 -0.403818 -0.402549 -0.382545 -0.384841 -0.378721 -0.427369 -0.152911 0.152006 0.187963 0.185854 0.206183 0.196633 0.190096 0.196641 0.191874 0.195448 0.189417 0.191197 0.195469 0.197860 0.187112 0.202220 0.190700 0.211300 0.199424 0.227012 0.211676 0.255956 0.271772 0.311227 0.378973 0.00000 6.88349666e-01 -1.68078411e-01 4.72041507e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.7496 -0.4272 1.1998 2.1641 -106.8660 -90.0736 -93.9640 -1.5380 -7.7798 5.2388 -9.8982 6.8943 3.0038 -1.5380 -7.7798 5.2388 24.7412 9.2243 -8.5133 -30.3313 25.6856 46.2799 -8.1844 1.1861 10.9658 -18.4870 -8274.0536 -661.2793 -393.8031 -194.0927 -255.8821 -48.6385 41.8423 32.6933 23.9688 -1382.6764 -1408.5758 -175.7182 84.2737 -62.4317 -9.3175 0 -675.3954685 4.582E-9 9.274E-5 -7.3590339,5.1257528,2.2332811,-1.1434329,-5.7840841,3.8949249 C01 [X(C12H23N1O2)] 0.6883497 -0.1680784 0.4720415 @ 0.000087595 0.000023665 -0.000109917 0.000006343 0.000343839 -0.000289461 -0.000144963 -0.000129710 -0.000148118 -0.000009812 -0.000011635 0.000022812 0.000016505 0.000007396 -0.000013036 -0.000021540 -0.000019187 -0.000005473 -0.000004897 -0.000020519 -0.000016339 -0.000005657 0.000010788 0.000003323 -0.000037087 0.000006581 0.000024307 0.000021961 -0.000006086 -0.000019657 0.000031210 -0.000026837 0.000028786 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-0.000001975 190.13389999999993 AuxInfo=1/0/N:10,8,9,11,12,5,6,7,13,4,14,15,3,1,2/E:(2,3)(6,7)/CRV:12.3,15.1/rA:38OO1NCCCCCCCCCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s4;s5;s6;s8s9;s7;s11;s12;s3s13;s1s2s14;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s3;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2077 CBGUSER 000224409 EM64L-G09RevD.01 2-Dec-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 108 C1[X(C12H23NO2)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 190.13389999999993 0 1 AuxInfo=1/0/N:10,8,9,11,12,5,6,7,13,4,14,15,3,1,2/E:(2,3)(6,7)/CRV:12.3,15.1/rA:38OO1NCCCCCCCCCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s4;s5;s6;s8s9;s7;s11;s12;s3s13;s1s2s14;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s3;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-19708.inp" -scrdir="/scratch/" chk=000224409-Freq.chk nprocshared=4 mem=3GB #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 000224409 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 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (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| 0.000501 0.000093 0.012396 0.003603 0.000450 0.000300 0.001800 0.001200 NO YES NO NO -1.824165e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 997.0669023359 196 452 196 59 59 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 38 38 38 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 0 190.13389999999993 AuxInfo=1/0/N:10,8,9,11,12,5,6,7,13,4,14,15,3,1,2/E:(2,3)(6,7)/CRV:12.3,15.1/rA:38OO1NCCCCCCCCCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s4;s5;s6;s8s9;s7;s11;s12;s3s13;s1s2s14;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s3;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.321578 0.000000 3.647682 2.769992 0.000000 7.281542 7.206552 6.981903 0.000000 8.119038 8.076793 7.327406 1.551874 0.000000 8.322793 8.001785 8.049579 1.551998 2.542013 0.000000 6.004559 5.708947 5.546275 1.550022 2.581921 2.551476 0.000000 9.473546 9.552577 8.855926 2.572777 1.548032 2.975054 3.959052 0.000000 9.648237 9.488585 9.463590 2.575856 2.982519 1.546863 3.940730 2.548607 0.000000 10.285186 10.154068 9.709644 3.014519 2.558641 2.553032 4.447068 1.546890 1.546979 0.000000 4.955452 5.037145 4.551142 2.611385 3.179038 3.959418 1.546262 4.611039 5.181975 5.485605 0.000000 3.738698 3.537921 3.164766 3.977494 4.623231 5.112779 2.573567 6.106302 6.485959 6.893049 1.545473 0.000000 3.022374 3.453621 2.564708 5.180389 5.603805 6.472857 3.951615 7.032825 7.744633 8.025395 2.570891 1.542770 0.000000 2.416925 2.478915 1.462983 6.562029 7.035087 7.733874 5.192601 8.509800 9.097065 9.433381 3.992273 2.621410 1.572970 0.000000 1.399536 1.250885 2.417906 6.918141 7.681545 7.914063 5.493736 9.135850 9.332090 9.900570 4.527396 3.071802 2.527654 1.523938 0.000000 7.128809 7.382389 7.333161 1.114011 2.168027 2.167517 2.170104 2.813209 2.814692 3.382358 2.804285 4.214191 5.246623 6.698550 6.981528 0.000000 8.422538 8.098583 7.171261 2.177768 1.111573 2.819336 2.793092 2.183299 3.394465 2.838723 3.507497 4.749053 5.799102 7.103884 7.808425 3.083280 0.000000 7.670519 7.830987 6.854967 2.197078 1.107265 3.508957 2.832852 2.184655 3.988112 3.513598 2.843072 4.295810 5.010693 6.491966 7.286219 2.503804 1.780803 0.000000 8.020594 7.680862 8.110058 2.189705 3.505105 1.108668 2.770401 3.983613 2.191042 3.514811 4.185794 5.144356 6.550472 7.719963 7.684639 2.497737 3.827991 4.355506 0.000000 8.630419 8.024847 7.938927 2.179668 2.820139 1.111357 2.767403 3.386009 2.180529 2.830748 4.256582 5.248349 6.676984 7.826095 8.049977 3.084150 2.641832 3.833960 1.780104 0.000000 6.441563 5.774646 5.376425 2.181388 2.812140 2.819737 1.111094 4.239295 4.246325 4.598783 2.181463 2.837267 4.261664 5.322978 5.705530 3.088502 2.563959 3.165879 3.163363 2.576492 0.000000 5.702912 5.332345 5.713787 2.175387 3.524143 2.699587 1.110826 4.741781 4.165138 5.001108 2.171736 2.747951 4.200169 5.280710 5.265010 2.531445 3.773102 3.859747 2.451603 2.987639 1.776040 0.000000 10.141061 10.218658 9.251180 3.529087 2.190339 3.981048 4.765503 1.107752 3.512078 2.192621 5.254768 6.718485 7.524532 8.987753 9.756414 3.821519 2.505489 2.517337 5.032214 4.212943 4.909932 5.653402 0.000000 9.402845 9.734562 9.168448 2.852362 2.180614 3.387790 4.288111 1.110275 2.826942 2.178728 4.762510 6.304572 7.116232 8.651552 9.228780 2.638582 3.095700 2.496931 4.218685 4.069281 4.810784 4.971408 1.779700 0.000000 9.586312 9.669463 9.780320 2.855900 3.394764 2.181032 4.270959 2.828088 1.110135 2.179410 5.339175 6.688003 7.848360 9.253074 9.431280 2.641016 4.076687 4.222320 2.505513 3.094483 4.817590 4.401349 3.838501 2.653326 0.000000 10.417886 10.114742 10.226910 3.532008 3.988133 2.190624 4.738143 3.512045 1.107712 2.192768 6.095973 7.300320 8.636378 9.921503 10.067744 3.823081 4.221326 5.036647 2.527694 2.502691 4.918611 4.813023 4.358266 3.837907 1.780025 0.000000 11.249370 11.208344 10.770380 4.020620 3.519824 3.515713 5.503309 2.193057 2.193604 1.107560 6.485235 7.929505 9.012509 10.454200 10.925460 4.207601 3.848636 4.354257 4.359203 3.841642 5.702124 6.020013 2.536217 2.501705 2.502716 2.537920 0.000000 10.606051 10.250295 9.681150 3.420994 2.837236 2.831202 4.633355 2.179726 2.179677 1.110167 5.755588 7.056629 8.247318 9.572012 10.081515 4.065407 2.665517 3.839882 3.839112 2.655911 4.514368 5.231522 2.504055 3.091810 3.092132 2.503217 1.781296 0.000000 5.577309 5.680120 4.635815 2.902221 2.884448 4.348518 2.189926 4.325561 5.416315 5.402754 1.108919 2.175341 2.787639 4.231177 5.081603 3.201172 3.110924 2.265907 4.814654 4.550488 2.515013 3.094226 4.757575 4.557210 5.642241 6.386891 6.375692 5.605122 0.000000 4.833176 5.380464 5.153258 2.806671 3.472018 4.204705 2.180577 4.687438 5.254786 5.635587 1.110618 2.182176 2.804569 4.307748 4.725323 2.540612 4.088442 3.041402 4.334671 4.752524 3.095866 2.559080 5.391377 4.574815 5.177471 6.221277 6.537754 6.102767 1.776449 0.000000 3.310101 3.030196 3.577454 4.222100 5.174336 5.151310 2.796503 6.592355 6.574186 7.214987 2.177287 1.109424 2.184714 2.907648 2.766876 4.355825 5.366808 5.000229 4.942602 5.347581 3.177592 2.508866 7.330777 6.728312 6.710140 7.301560 8.242003 7.426809 3.089445 2.531832 0.000000 4.333379 3.540377 2.794160 4.282582 4.798336 5.262530 2.800319 6.337982 6.697688 7.029779 2.181083 1.109431 2.178955 2.807422 3.348389 4.769082 4.662906 4.571732 5.360747 5.160950 2.609672 3.047220 6.876902 6.715041 7.069483 7.435535 8.109327 7.018064 2.534642 3.097542 1.774613 0.000000 2.721184 3.858132 3.480741 5.339737 5.847571 6.674571 4.283050 7.160009 7.851101 8.197379 2.853512 2.188331 1.107318 2.192410 2.779427 5.170785 6.235371 5.205877 6.683583 7.048921 4.832295 4.437315 7.702149 7.070757 7.797528 8.777715 9.121907 8.559446 3.183276 2.635846 2.518066 3.099089 0.000000 3.980668 4.382910 2.791927 5.296967 5.404904 6.687184 4.223060 6.805301 7.864917 7.929695 2.772453 2.181702 1.109545 2.169991 3.464135 5.423254 5.542802 4.665602 6.940120 6.846818 4.434066 4.724864 7.143918 6.928902 8.012368 8.809029 8.890989 8.111454 2.528312 3.083982 3.099867 2.564213 1.780611 0.000000 2.528994 3.220261 2.123347 7.346571 7.725969 8.607582 6.071365 9.149985 9.906956 10.180834 4.738037 3.532555 2.168572 1.108974 2.125703 7.387073 7.857611 7.065919 8.622964 8.761763 6.273550 6.210516 9.570948 9.214727 9.996755 10.781778 11.165857 10.370389 4.858229 4.892114 3.854570 3.825806 2.422966 2.474884 0.000000 4.493049 3.745180 1.020015 6.851163 6.984265 7.968084 5.503243 8.496618 9.324362 9.411228 4.492954 3.329179 2.754181 2.117393 3.343398 7.277410 6.746292 6.458710 8.166449 7.800940 5.235399 5.858985 8.782289 8.870519 9.697824 10.115475 10.459643 9.326158 4.339145 5.187013 4.000972 2.830383 3.761779 2.580249 2.612484 0.000000 3.862047 2.339241 1.022542 7.004734 7.476626 7.909410 5.497635 9.022536 9.385234 9.730554 4.748671 3.294121 3.127651 2.110332 2.481115 7.433144 7.249785 7.147280 7.889363 7.716170 5.222925 5.531778 9.479049 9.396403 9.759492 10.061614 10.816843 9.642923 4.976597 5.438748 3.493526 2.728174 4.052453 3.535510 2.946257 1.727318 0.000000 0.995418 2.395911 4.365634 7.694310 8.669731 8.604169 6.421784 9.997726 9.939725 10.702866 5.545187 4.347922 3.882659 3.282870 1.965709 7.514834 8.986630 8.313051 8.179747 8.924626 6.874361 5.957905 10.734532 9.910783 9.850185 10.641023 11.660646 11.036989 6.284479 5.395579 3.699578 4.912279 3.573661 4.898290 3.473025 5.278655 4.392102 0.000000 C12H23NO2 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 0 190.13389999999993 AuxInfo=1/0/N:10,8,9,11,12,5,6,7,13,4,14,15,3,1,2/E:(2,3)(6,7)/CRV:12.3,15.1/rA:38OO1NCCCCCCCCCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s4;s5;s6;s8s9;s7;s11;s12;s3s13;s1s2s14;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s3;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 1.5041471 0.1634461 0.1581442 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= 9316 NPrTT= 46137 LenC2= 8041 LenP2D= 25910. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 196 RedAO= T EigKep= 1.42D-03 NBF= 196 NBsUse= 196 1.00D-06 EigRej= -1.00D+00 NBFU= 196 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= 189 189 189 189 189 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 0 1 -674.965884407919 -675.115603976557 -0.149719568638 -675.259276082652 -0.143672106095 -673.834510078711 1.424766003940 -675.216503529972 -1.381993451261 -675.393939705009 -0.177436175036 -675.394804001314 -0.000864296305 -675.395364546140 -0.000560544826 -675.395378794735 -0.000014248595 -675.395466772182 -0.000087977447 -675.395465952461 0.000000819721 -675.395467118583 -0.000001166123 -675.395467140226 -0.000000021642 -675.395467165255 -0.000000025030 -675.395467166551 -0.000000001295 -675.395467166631 -0.000000000080 -675.395467166627 0.000000000003 -675.395467167 17 6.718827183527e+02 -3.567494874832e+03 1.223149786977e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=190329617. IVT= 136558 IEndB= 136558 NGot= 402653184 MDV= 216146156 LenX= 216146156 LenY= 216107299 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= 19306 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= 38. Will process 39 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111 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= 402652604 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=190204112. 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= 19306 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 117 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 114 vectors produced by pass 0 Test12= 8.08D-15 1.00D-09 XBig12= 1.40D+02 4.24D+00. AX will form 114 AO Fock derivatives at one time. 114 vectors produced by pass 1 Test12= 8.08D-15 1.00D-09 XBig12= 2.28D+01 1.46D+00. 114 vectors produced by pass 2 Test12= 8.08D-15 1.00D-09 XBig12= 4.04D-02 3.80D-02. 114 vectors produced by pass 3 Test12= 8.08D-15 1.00D-09 XBig12= 1.18D-05 2.79D-04. 48 vectors produced by pass 4 Test12= 8.08D-15 1.00D-09 XBig12= 6.35D-10 2.45D-06. 3 vectors produced by pass 5 Test12= 8.08D-15 1.00D-09 XBig12= 3.61D-14 1.57D-08. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 507 with 117 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 139.43 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 162.392 -3.687 131.256 0.385 -1.836 124.646 201.401 -9.092 217.811 1.506 -7.991 237.613 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2018.100S Sat Dec 2 12:19:59 2017 -18.81575 -18.77238 -13.97020 -10.03979 -9.94902 -9.90037 -9.89118 -9.89035 -9.88819 -9.88414 -9.88401 -9.88355 -9.88332 -9.88220 -9.88195 -1.02201 -0.94209 -0.80909 -0.74900 -0.71972 -0.68870 -0.66063 -0.65831 -0.62036 -0.57297 -0.54297 -0.53472 -0.52082 -0.50595 -0.48523 -0.46860 -0.42816 -0.42405 -0.41552 -0.41401 -0.39845 -0.38627 -0.38379 -0.38122 -0.37565 -0.36223 -0.35364 -0.34727 -0.33245 -0.32651 -0.32223 -0.31256 -0.30205 -0.29130 -0.28836 -0.28610 -0.28360 -0.27918 -0.27408 -0.26362 -0.24760 -0.24395 -0.23842 -0.17490 -0.05427 0.03272 0.06802 0.08452 0.09407 0.10040 0.10428 0.10624 0.11404 0.11724 0.12035 0.12632 0.13321 0.13875 0.14554 0.14665 0.15794 0.16106 0.16671 0.17429 0.18008 0.18341 0.18876 0.19238 0.19897 0.20113 0.20428 0.20700 0.20991 0.21284 0.21986 0.22477 0.22728 0.23978 0.24336 0.25093 0.26017 0.26429 0.27634 0.28314 0.29870 0.30401 0.31492 0.31661 0.32799 0.33604 0.34873 0.35978 0.36364 0.37325 0.37523 0.37838 0.38544 0.39317 0.40063 0.41667 0.41934 0.43693 0.44281 0.45500 0.46853 0.46983 0.48091 0.48858 0.49636 0.49670 0.51174 0.52710 0.54115 0.54899 0.55628 0.59366 0.59433 0.61467 0.62535 0.62796 0.69128 0.71827 0.73626 0.75800 0.77127 0.80304 0.81076 0.83705 0.84259 0.85364 0.88828 0.91212 0.92157 0.95748 0.96000 0.96899 0.98575 1.00143 1.00658 1.01612 1.01993 1.03123 1.05581 1.06500 1.07475 1.09578 1.11499 1.12262 1.14861 1.15657 1.16044 1.18308 1.20133 1.20307 1.21149 1.23246 1.25581 1.29092 1.32733 1.39600 1.42410 1.44299 1.44719 1.56571 1.62599 1.71243 22.39664 22.47706 22.54800 22.59044 22.60837 22.61515 22.64734 22.67765 22.67951 22.69201 22.69958 22.70927 31.48888 41.45757 41.53257 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 O O N C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.413325 -0.241209 -0.624593 0.035698 -0.451376 -0.450072 -0.446362 -0.403808 -0.402549 -0.382551 -0.384844 -0.378719 -0.427373 -0.152902 0.151999 0.187958 0.185854 0.206184 0.196631 0.190092 0.196640 0.191872 0.195446 0.189414 0.191196 0.195469 0.197861 0.187112 0.202220 0.190700 0.211301 0.199423 0.227013 0.211676 0.255955 0.271773 0.311227 0.378973 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 O N C C C C C C C C C C C C -0.034353 -0.241209 -0.041593 0.223656 -0.059338 -0.063349 -0.057851 -0.018947 -0.015884 0.002422 0.008075 0.032004 0.011316 0.103053 0.151999 0.00000 6.87674443e-01 -1.69528112e-01 4.72499780e-01 1.62391601e+02 -3.68714677e+00 1.31256218e+02 3.85003887e-01 -1.83575669e+00 1.24646247e+02 -4.6293 -3.7557 -0.0004 -0.0002 0.0006 12.6543 22.0891 36.2462 46.1091 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 21.2127 35.5988 46.0584 55.3241 78.1213 90.8728 104.1537 148.6145 161.9110 214.4809 217.6870 224.7828 261.9013 282.3187 314.5784 323.8034 376.4062 409.4157 431.7573 443.9742 457.3909 476.0890 522.3718 550.8057 576.6524 633.1336 717.8636 725.8547 759.0629 779.7668 783.1479 806.0586 842.0720 855.1446 889.3535 895.2804 910.0737 928.4980 959.5261 1017.5644 1029.1759 1038.5087 1049.8659 1053.2800 1058.3799 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