Gaussian 09 GINC-KIMIK2022 CBGUSER 000283270 EM64L-G09RevD.01 30-Mar-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 234.1213641999999 0 1 AuxInfo=1/0/N:15,16,17,8,9,10,13,14,11,12,7,6,5,4,2,3,1/E:(1,2,3)(4,5,6)(7,8)(9,10)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,16.1,17.4/rA:39P4FO1CCC3C3CCCC3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;;s1;s5;s4;s4;s4;s6;s6;s7s11;s7s12;s5;s5;s5;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s12;s15;s15;s15;s16;s16;s16;s17;s17;s17;s13;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-30696.inp" -scrdir="/scratch/" chk=000283270.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 000283270 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 31 19 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 30.9737634 18.9984033 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 1 1 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 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 1 1 1 1 4 4 4 5 5 5 5 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 14 15 15 15 16 16 16 17 17 17 2 3 4 6 8 9 10 7 15 16 17 11 12 13 14 18 19 20 21 22 23 24 25 26 13 27 14 28 38 39 29 30 31 32 33 34 35 36 37 1.5679 1.4895 1.9003 1.8406 1.5292 1.5275 1.5254 1.5329 1.5409 1.5411 1.5404 1.3932 1.3941 1.4059 1.4035 1.1009 1.0995 1.0982 1.0984 1.1023 1.0986 1.0976 1.1005 1.0976 1.3978 1.0921 1.3989 1.0962 1.0895 1.0897 1.0947 1.0954 1.0958 1.0953 1.0954 1.0953 1.0955 1.0956 1.0953 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 2 3 3 4 1 1 1 8 8 9 7 7 7 15 15 16 1 1 11 5 5 13 4 4 4 18 18 19 4 4 4 21 21 22 4 4 4 24 24 25 6 6 13 6 6 14 7 7 11 7 7 12 5 5 5 29 29 30 5 5 5 32 32 33 5 5 5 35 35 36 1 1 1 1 1 1 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 3 4 6 4 6 6 8 9 10 9 10 10 15 16 17 16 17 17 11 12 12 13 14 14 18 19 20 19 20 20 21 22 23 22 23 23 24 25 26 25 26 26 13 27 27 14 28 28 11 38 38 12 39 39 29 30 31 30 31 31 32 33 34 33 34 34 35 36 37 36 37 37 109.1397 104.0997 103.5106 115.6302 115.7846 107.3766 105.0529 105.9865 111.4435 111.3177 111.3085 111.4345 107.1123 110.7553 111.4005 109.9069 109.6816 107.9856 122.675 116.6178 120.6905 120.2466 121.0515 118.6486 112.8488 110.3735 113.216 105.7667 108.0446 106.1089 113.1183 112.8802 110.6688 107.3558 106.2195 106.1356 113.0209 109.9799 113.2995 105.9539 108.2993 105.7861 119.4571 121.9634 118.5768 119.5869 121.4603 118.9484 120.8675 119.919 119.2117 120.7218 120.2727 119.0018 111.3353 111.585 111.4397 107.5291 107.5108 107.2155 112.0468 111.1123 111.3168 106.941 107.7257 107.4614 111.0974 112.0105 111.4164 106.887 107.4028 107.7849 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 2 3 3 3 6 6 6 2 2 3 3 4 4 1 1 1 9 9 9 10 10 10 1 1 1 8 8 8 10 10 10 1 1 1 8 8 8 9 9 9 15 15 16 16 17 17 7 7 7 16 16 16 17 17 17 7 7 7 15 15 15 17 17 17 7 7 7 15 15 15 16 16 16 1 1 12 12 1 1 11 11 5 5 14 14 5 5 13 13 6 6 27 27 6 6 28 28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 11 11 11 11 12 12 12 12 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 7 7 7 7 7 7 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 13 13 13 13 14 14 14 14 8 9 10 8 9 10 8 9 10 11 12 11 12 11 12 18 19 20 18 19 20 18 19 20 21 22 23 21 22 23 21 22 23 24 25 26 24 25 26 24 25 26 13 14 13 14 13 14 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 35 36 37 35 36 37 35 36 37 13 27 13 27 14 28 14 28 11 38 11 38 12 39 12 39 7 38 7 38 7 39 7 39 174.2876 -67.7657 53.6292 -66.0124 51.9343 173.3292 64.9579 -177.0954 -55.7005 -37.7073 140.8149 -157.0849 21.4372 72.0305 -109.4474 58.5804 176.6806 -64.5458 -55.6932 62.407 -178.8194 179.3278 -62.572 56.2016 69.7142 -52.4409 -171.2306 -176.595 61.2499 -57.5399 -51.6865 -173.8416 67.3686 63.1682 -178.6508 -60.5031 -53.7489 64.432 -177.4203 -178.6626 -60.4816 57.6661 84.5996 -92.7106 -35.2461 147.4437 -155.4569 27.2329 179.9756 -59.8744 59.9477 -59.6367 60.5132 -179.6646 58.9382 179.0881 -61.0897 63.6376 -176.8007 -57.0685 -54.5202 65.0416 -175.2262 -174.1347 -54.5729 65.1593 177.3378 -63.2037 57.6232 -64.2492 55.2093 176.0362 55.5075 174.966 -64.2071 179.8584 0.4627 1.3948 -178.0008 179.8795 -0.8916 -1.5671 177.6618 -178.6467 0.848 -1.2725 178.2222 178.45 -0.8492 1.0977 -178.2015 0.0442 -179.4541 179.4603 -0.0379 0.3003 179.6083 -178.948 0.36 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 220 234 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 39 39 39 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= 11325 NPrTT= 55700 LenC2= 10126 LenP2D= 32067. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 222 RedAO= T EigKep= 6.44D-04 NBF= 222 NBsUse= 222 1.00D-06 EigRej= -1.00D+00 NBFU= 222 Using GEDIIS/GDIIS optimizer. local minimum Step number 10 out of a maximum of 220 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00136 0.00229 0.00232 0.00238 0.00358 0.00390 0.00425 0.00570 0.00636 0.01548 0.01765 0.02047 0.02091 0.02118 0.02132 0.02153 0.02177 0.02220 0.04458 0.04696 0.04849 0.04894 0.05228 0.05274 0.05348 0.05367 0.05412 0.05415 0.05498 0.05528 0.05533 0.05594 0.05613 0.05747 0.05769 0.05808 0.06135 0.09182 0.13671 0.14112 0.14314 0.14603 0.15327 0.15571 0.15750 0.15866 0.15933 0.15994 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16016 0.16050 0.16080 0.16244 0.16386 0.16512 0.18983 0.20066 0.20611 0.22011 0.22956 0.23203 0.24415 0.24978 0.27225 0.27987 0.28369 0.29193 0.29487 0.29622 0.29956 0.30594 0.31219 0.33429 0.33601 0.33636 0.33760 0.33872 0.33894 0.33928 0.33944 0.34003 0.34087 0.34108 0.34176 0.34192 0.34199 0.34230 0.34248 0.34297 0.34333 0.34588 0.34642 0.35026 0.35352 0.41686 0.42081 0.44908 0.45847 0.46570 0.47321 0.56999 RFO step: Lambda=-1.97214103D-07. 1 2 0.00124108 0.00000070 0.00000049 0.00000009 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 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 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 3.34516 3.01320 3.62180 3.49788 2.92828 2.92711 2.91848 2.92243 2.94680 2.94638 2.92957 2.67489 2.66963 2.69077 2.68104 2.08765 2.09013 2.09010 2.08644 2.08690 2.09058 2.08851 2.09107 2.08662 2.66074 2.06857 2.66847 2.07086 2.07048 2.06587 2.09001 2.08738 2.08848 2.08731 2.09011 2.08889 2.08846 2.08939 2.08964 1.99207 1.73421 1.74729 1.99149 1.98935 1.97938 1.85442 1.85809 1.92859 1.93391 1.94233 1.94269 1.90573 1.90631 1.96212 1.90824 1.89073 1.89010 2.13207 2.05890 2.09187 2.09033 2.14084 2.05195 1.94221 1.90043 1.95450 1.88786 1.89482 1.88194 1.94392 1.94082 1.90061 1.89096 1.89249 1.89382 1.95593 1.89683 1.94672 1.87837 1.89863 1.88482 2.08747 2.09739 2.09779 2.09209 2.08815 2.10265 2.12378 2.09069 2.06866 2.11910 2.09615 2.06790 1.91974 1.95202 1.93615 1.88196 1.88975 1.88217 1.95107 1.92035 1.93597 1.88188 1.88339 1.88913 1.91042 1.95209 1.95169 1.87677 1.87697 1.89289 3.04708 -1.17386 0.93795 -1.10930 0.95294 3.06475 1.20777 -3.01317 -0.90136 -0.53836 2.57478 -2.67243 0.44071 1.29265 -1.87739 1.02141 3.10072 -1.10295 -0.99000 1.08932 -3.11436 3.12166 -1.08221 0.99731 1.14337 -0.96768 -3.05362 -3.13069 1.04144 -1.04450 -0.95937 -3.07043 1.12682 1.08536 -3.12421 -1.04821 -0.97056 1.10306 -3.10412 -3.13712 -1.06350 1.01250 1.03521 -2.09301 -1.05069 2.10428 3.13405 0.00583 -3.13986 -1.04912 1.05304 -1.05516 1.03558 3.13774 1.00119 3.09193 -1.08909 1.03525 3.12569 -1.06771 -1.04909 1.04134 3.13114 -3.10584 -1.01540 1.07439 3.13613 -1.06894 1.05801 -1.03956 1.03856 -3.11768 1.02834 3.10646 -1.04978 3.12648 0.01986 0.01386 -3.09276 -3.12968 -0.01402 -0.01585 3.09980 -3.13571 -0.00588 -0.00682 3.12301 3.13329 0.00056 0.00479 -3.12794 -0.00242 -3.13240 3.10419 -0.02579 0.00645 3.13932 -3.10899 0.02388 0.00003 0.00030 -0.00004 -0.00004 -0.00001 0.00000 0.00002 -0.00002 0.00000 -0.00003 0.00004 -0.00001 -0.00001 -0.00004 0.00003 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 -0.00002 0.00001 0.00001 0.00000 0.00001 -0.00002 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00002 -0.00001 0.00003 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00006 0.00006 0.00000 0.00001 0.00000 0.00002 -0.00001 -0.00001 -0.00002 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00002 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00002 -0.00001 0.00001 0.00001 0.00002 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 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0.00000 -0.00059 -0.00058 0.00009 0.00002 0.00070 0.00063 0.00017 0.00017 0.00029 0.00029 -0.00040 -0.00033 -0.00012 -0.00005 0.00009 0.00062 -0.00023 -0.00021 -0.00002 0.00002 0.00011 -0.00015 0.00005 -0.00002 0.00009 -0.00002 -0.00001 -0.00008 0.00007 -0.00002 -0.00003 -0.00001 -0.00002 -0.00002 -0.00002 -0.00001 -0.00003 -0.00004 0.00002 -0.00001 -0.00004 0.00000 0.00002 -0.00003 -0.00003 -0.00001 -0.00001 -0.00001 -0.00003 -0.00002 -0.00006 -0.00002 -0.00004 -0.00004 0.00005 0.00011 -0.00005 0.00001 -0.00006 0.00001 -0.00001 -0.00015 0.00008 -0.00004 0.00011 -0.00017 -0.00016 0.00030 -0.00010 0.00002 0.00011 -0.00006 0.00005 0.00001 -0.00014 0.00015 -0.00001 0.00006 -0.00001 0.00009 -0.00005 0.00003 -0.00013 0.00009 0.00002 -0.00003 0.00004 -0.00011 -0.00001 -0.00007 -0.00007 0.00009 0.00000 0.00010 -0.00004 -0.00002 0.00002 0.00000 0.00000 0.00005 -0.00006 0.00002 -0.00005 0.00003 -0.00001 -0.00002 0.00003 0.00005 -0.00002 -0.00006 0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00009 0.00009 -0.00002 0.00003 0.00006 -0.00006 0.00005 0.00003 -0.00009 0.00000 0.00040 0.00049 0.00053 0.00036 0.00045 0.00049 0.00027 0.00036 0.00040 -0.00014 -0.00017 -0.00018 -0.00020 -0.00006 -0.00008 0.00083 0.00080 0.00069 0.00080 0.00077 0.00065 0.00063 0.00060 0.00048 0.00045 0.00033 0.00035 0.00049 0.00037 0.00040 0.00057 0.00045 0.00048 0.00021 0.00012 0.00008 0.00032 0.00023 0.00019 0.00017 0.00008 0.00004 -0.00188 -0.00134 -0.00156 -0.00102 -0.00178 -0.00124 -0.00001 0.00002 -0.00002 -0.00037 -0.00034 -0.00038 -0.00029 -0.00026 -0.00030 -0.00115 -0.00103 -0.00105 -0.00078 -0.00067 -0.00069 -0.00081 -0.00070 -0.00071 0.00086 0.00090 0.00090 0.00085 0.00089 0.00089 0.00080 0.00084 0.00084 0.00008 0.00000 0.00010 0.00002 -0.00005 -0.00027 -0.00008 -0.00029 0.00004 0.00006 -0.00047 -0.00045 -0.00004 -0.00004 0.00049 0.00048 0.00018 0.00016 0.00026 0.00024 -0.00023 -0.00022 -0.00001 0.00000 3.34525 3.01382 3.62157 3.49768 2.92826 2.92713 2.91859 2.92228 2.94685 2.94636 2.92967 2.67487 2.66961 2.69068 2.68111 2.08763 2.09010 2.09010 2.08643 2.08689 2.09056 2.08850 2.09104 2.08658 2.66076 2.06856 2.66844 2.07085 2.07050 2.06584 2.08998 2.08736 2.08848 2.08730 2.09008 2.08887 2.08840 2.08937 2.08960 1.99203 1.73425 1.74740 1.99144 1.98937 1.97932 1.85443 1.85808 1.92844 1.93399 1.94229 1.94280 1.90556 1.90615 1.96243 1.90814 1.89074 1.89021 2.13201 2.05894 2.09188 2.09019 2.14099 2.05193 1.94227 1.90042 1.95459 1.88781 1.89485 1.88181 1.94401 1.94084 1.90058 1.89100 1.89238 1.89381 1.95586 1.89676 1.94681 1.87836 1.89873 1.88478 2.08745 2.09742 2.09779 2.09209 2.08821 2.10259 2.12380 2.09064 2.06869 2.11909 2.09613 2.06793 1.91980 1.95200 1.93609 1.88196 1.88976 1.88218 1.95106 1.92035 1.93588 1.88198 1.88337 1.88916 1.91048 1.95204 1.95174 1.87681 1.87688 1.89289 3.04747 -1.17338 0.93847 -1.10895 0.95339 3.06524 1.20804 -3.01281 -0.90096 -0.53851 2.57461 -2.67261 0.44051 1.29260 -1.87747 1.02224 3.10153 -1.10226 -0.98920 1.09008 -3.11370 3.12229 -1.08161 0.99779 1.14382 -0.96735 -3.05327 -3.13020 1.04181 -1.04410 -0.95880 -3.06998 1.12729 1.08557 -3.12409 -1.04813 -0.97023 1.10329 -3.10394 -3.13694 -1.06342 1.01254 1.03333 -2.09435 -1.05224 2.10326 3.13227 0.00459 -3.13987 -1.04910 1.05302 -1.05554 1.03524 3.13736 1.00090 3.09167 -1.08939 1.03410 3.12465 -1.06876 -1.04988 1.04067 3.13045 -3.10665 -1.01610 1.07368 3.13699 -1.06803 1.05891 -1.03872 1.03945 -3.11679 1.02914 3.10730 -1.04894 3.12655 0.01986 0.01395 -3.09274 -3.12973 -0.01429 -0.01593 3.09951 -3.13567 -0.00582 -0.00729 3.12257 3.13325 0.00052 0.00528 -3.12745 -0.00224 -3.13224 3.10445 -0.02555 0.00622 3.13910 -3.10900 0.02387 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000303 0.000024 0.004539 0.001241 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -2.318922e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 1 1 1 1 4 4 4 5 5 5 5 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 14 15 15 15 16 16 16 17 17 17 2 3 4 6 8 9 10 7 15 16 17 11 12 13 14 18 19 20 21 22 23 24 25 26 13 27 14 28 38 39 29 30 31 32 33 34 35 36 37 1.7702 1.5945 1.9166 1.851 1.5496 1.549 1.5444 1.5465 1.5594 1.5592 1.5503 1.4155 1.4127 1.4239 1.4187 1.1047 1.106 1.106 1.1041 1.1043 1.1063 1.1052 1.1065 1.1042 1.408 1.0946 1.4121 1.0959 1.0957 1.0932 1.106 1.1046 1.1052 1.1046 1.106 1.1054 1.1052 1.1057 1.1058 -DE/DX = 0.0|-DE/DX = 0.0003|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 2 2 2 3 3 4 1 1 1 8 8 9 7 7 7 15 15 16 1 1 11 5 5 13 4 4 4 18 18 19 4 4 4 21 21 22 4 4 4 24 24 25 6 6 13 6 6 14 7 7 11 7 7 12 5 5 5 29 29 30 5 5 5 32 32 33 5 5 5 35 35 36 1 1 1 1 1 1 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 3 4 6 4 6 6 8 9 10 9 10 10 15 16 17 16 17 17 11 12 12 13 14 14 18 19 20 19 20 20 21 22 23 22 23 23 24 25 26 25 26 26 13 27 27 14 28 28 11 38 38 12 39 39 29 30 31 30 31 31 32 33 34 33 34 34 35 36 37 36 37 37 114.1371 99.3628 100.1125 114.104 113.9815 113.41 106.2507 106.4609 110.5 110.8048 111.2875 111.3081 109.1902 109.2234 112.4214 109.3343 108.3308 108.2948 122.1586 117.966 119.8553 119.7671 122.6609 117.5678 111.2805 108.8865 111.9848 108.1666 108.5651 107.8272 111.3783 111.2008 108.8969 108.3442 108.4315 108.508 112.0667 108.6801 111.539 107.6225 108.7836 107.9922 119.6033 120.1717 120.1945 119.868 119.6422 120.4729 121.6836 119.7876 118.5254 121.4154 120.1005 118.4821 109.993 111.8424 110.933 107.8282 108.2745 107.8404 111.788 110.0278 110.923 107.824 107.9104 108.239 109.459 111.8466 111.8238 107.5311 107.5425 108.4546 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 2 2 2 3 3 3 6 6 6 2 2 3 3 4 4 1 1 1 9 9 9 10 10 10 1 1 1 8 8 8 10 10 10 1 1 1 8 8 8 9 9 9 15 15 16 16 17 17 7 7 7 16 16 16 17 17 17 7 7 7 15 15 15 17 17 17 7 7 7 15 15 15 16 16 16 1 1 12 12 1 1 11 11 5 5 14 14 5 5 13 13 6 6 27 27 6 6 28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 11 11 11 11 12 12 12 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 7 7 7 7 7 7 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 13 13 13 13 14 14 14 8 9 10 8 9 10 8 9 10 11 12 11 12 11 12 18 19 20 18 19 20 18 19 20 21 22 23 21 22 23 21 22 23 24 25 26 24 25 26 24 25 26 13 14 13 14 13 14 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 35 36 37 35 36 37 35 36 37 13 27 13 27 14 28 14 28 11 38 11 38 12 39 12 39 7 38 7 38 7 39 7 174.5846 -67.2573 53.7404 -63.5585 54.5996 175.5973 69.1999 -172.6421 -51.6444 -30.8458 147.524 -153.119 25.2508 74.0636 -107.5665 58.5224 177.6584 -63.1942 -56.7229 62.4132 -178.4394 178.8581 -62.0059 57.1415 65.5105 -55.4441 -174.9596 -179.3754 59.67 -59.8455 -54.9681 -175.9227 64.5618 62.1866 -179.004 -60.0579 -55.6088 63.2006 -177.8532 -179.7435 -60.9341 58.0121 59.3131 -119.9207 -60.2 120.5662 179.5679 0.3341 -179.9009 -60.1103 60.3348 -60.4564 59.3342 179.7793 57.3638 177.1544 -62.4005 59.3153 179.0886 -61.1751 -60.1087 59.6646 179.4009 -177.9514 -58.1781 61.5581 179.6871 -61.2455 60.6197 -59.5626 59.5048 -178.63 58.9195 177.987 -60.1479 179.1338 1.1377 0.794 -177.2022 -179.3172 -0.8031 -0.9084 177.6057 -179.6629 -0.3368 -0.3906 178.9355 179.5243 0.0321 0.2746 -179.2175 -0.1388 -179.4731 177.8569 -1.4774 0.3695 179.8696 -178.1321 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX 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3.179550 1.094641 3.440349 2.175092 3.914790 5.073943 5.104447 6.024652 5.345312 5.420715 4.364836 4.741562 5.507210 5.626835 2.693075 4.190612 2.906812 0.000000 2.904087 4.373700 2.780287 4.170463 4.783413 2.174388 3.460290 3.913276 5.281873 5.033552 3.438426 1.095851 3.909831 2.182755 5.718012 5.741729 4.935976 3.694713 4.972791 3.439636 5.803232 5.116927 6.108908 4.707035 5.914879 5.543512 4.343143 0.000000 7.997067 8.224491 8.746518 9.144129 2.198683 6.189065 3.497376 9.321299 10.530025 8.845338 5.455152 5.815076 4.105183 4.568145 1.105986 2.785238 2.734437 9.723177 10.152824 8.464177 10.629345 10.872896 11.295851 7.940756 9.723274 8.910143 6.111211 6.681777 0.000000 6.765004 6.740951 7.695134 7.882895 2.221150 5.045152 2.799254 8.290958 9.205171 7.463461 4.068402 5.050448 2.798933 4.089928 1.104592 2.803567 3.503153 8.786994 9.116699 7.543108 9.188121 9.634771 9.979455 6.619954 8.369871 7.388767 4.542108 6.049619 1.786445 0.000000 6.763365 6.954631 7.345169 8.162073 2.210098 5.057076 2.787583 8.450119 9.438792 8.076305 4.518069 4.667027 3.402515 3.597027 1.105177 3.517150 2.790335 8.731474 9.391125 7.715496 9.492189 9.670774 10.308138 7.313698 9.060687 8.085153 5.234249 5.469319 1.791977 1.785930 0.000000 6.771903 7.096655 7.917326 7.313301 2.220241 5.041431 2.792452 7.409707 8.797194 6.667945 4.070346 5.049485 2.800283 4.086210 2.808945 1.104558 3.502385 8.079451 8.011685 6.493376 8.984371 9.364374 9.338628 5.621608 7.335821 6.864713 4.568048 6.062581 3.154542 2.615861 3.828213 0.000000 8.011951 8.518598 8.950105 8.676790 2.198972 6.194466 3.497870 8.574185 10.191573 8.204893 5.460773 5.825428 4.107930 4.575680 2.779149 1.106037 2.740797 9.114552 9.204763 7.574402 10.464879 10.649370 10.754403 7.152196 8.872949 8.493626 6.132171 6.706312 2.561760 3.135843 3.799100 1.786412 0.000000 6.804682 7.552560 7.759060 7.250850 2.209935 5.079128 2.794883 6.975523 8.794316 6.842237 4.547772 4.690904 3.426782 3.610741 3.517295 1.105393 2.782303 7.530075 7.546452 5.933620 9.190717 9.246288 9.279273 5.776615 7.439308 7.300193 5.298284 5.518166 3.800137 3.828047 4.382362 1.786873 1.791792 0.000000 8.074229 8.809132 8.597338 9.099060 2.183169 6.266244 3.521411 8.863521 10.556135 9.040894 5.979377 5.423035 4.734150 4.011235 2.741673 2.735394 1.105168 9.117712 9.658028 7.887097 10.903074 10.767901 11.251192 8.099787 9.838418 9.394093 6.901309 6.038030 2.489249 3.752454 3.129464 3.751079 2.489797 3.109731 0.000000 6.911903 7.713040 7.205933 8.172315 2.213929 5.208253 2.862832 7.985603 9.530273 8.363821 5.214510 4.196171 4.213524 2.868712 2.777680 3.505598 1.105657 8.083749 8.898476 7.115871 9.868953 9.605654 10.321588 7.558695 9.256946 8.698598 6.224136 4.670008 3.080186 3.815417 2.590295 4.387106 3.761122 3.814094 1.783262 0.000000 6.915065 7.927528 7.367648 7.799142 2.213745 5.204462 2.857648 7.365963 9.260662 7.888075 5.214492 4.194019 4.213425 2.863968 3.506329 2.781847 1.105792 7.558967 8.134916 6.364815 9.737926 9.418854 9.900182 6.980979 8.633011 8.397652 6.236114 4.680082 3.759236 4.387882 3.817922 3.815210 3.098041 2.586255 1.783501 1.794242 0.000000 5.024524 4.996967 6.250970 5.828984 2.763872 3.424931 2.185861 6.331433 7.173985 5.233906 2.157856 3.909787 1.095652 3.430281 2.918835 2.938874 4.277871 6.982620 7.071796 5.650717 7.171477 7.738149 7.860963 4.373067 6.103562 5.177662 2.481943 5.005100 3.825814 2.295542 3.453169 2.316301 3.834201 3.493596 4.915578 4.713964 4.720501 0.000000 4.964463 6.097026 5.186582 6.124449 2.824144 3.425197 2.182579 5.801256 7.458626 6.533953 3.913619 2.159045 3.430878 1.093211 3.930179 3.938543 2.512493 5.820586 6.738368 4.973784 7.920452 7.471486 8.218852 5.837940 7.399652 7.012550 5.007644 2.489330 4.679345 4.607497 3.797464 4.607856 4.692498 3.813316 3.594766 2.288740 2.288227 4.348323 0.000000 0.9320282 0.1913836 0.1889395 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= 215 216 216 216 217 MxSgAt= 39 MxSgA2= 39. 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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= 11325 NPrTT= 55700 LenC2= 10042 LenP2D= 31639. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 222 RedAO= T EigKep= 6.95D-04 NBF= 222 NBsUse= 222 1.00D-06 EigRej= -1.00D+00 NBFU= 222 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= 216 216 216 216 217 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 0 1 -1061.36774395507 -1061.26930622044 0.098437734631 -1061.69514930956 -0.425843089117 -1060.37144571695 1.323703592606 -1061.88236063010 -1.510914913154 -1061.96229590789 -0.079935277782 -1061.96795521484 -0.005659306952 -1061.96895034245 -0.000995127616 -1061.96914393974 -0.000193597283 -1061.96915116330 -0.000007223562 -1061.96920463057 -0.000053467274 -1061.96920374541 0.000000885162 -1061.96920544381 -0.000001698401 -1061.96920565460 -0.000000210790 -1061.96920567224 -0.000000017639 -1061.96920567384 -0.000000001595 -1061.96920567410 -0.000000000259 -1061.96920567413 -0.000000000031 -1061.96920567412 0.000000000005 -1061.96920567 19 1.058427279065e+03 -5.325763828518e+03 1.788306416819e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=312081697. IVT= 169144 IEndB= 169144 NGot= 939524096 MDV= 632987072 LenX= 632987072 LenY= 632937347 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= 24753 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 1.29543083e+00 1.62327497e+00 8.02712198e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 15 9 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 0.051205410 0.105996700 0.006767227 -0.021769036 -0.066218494 0.094675541 -0.031110704 -0.041895494 -0.100502951 0.000029719 -0.006708591 -0.001525613 0.000849779 0.002731487 -0.000497695 -0.016199605 -0.007463137 -0.003749431 0.010997634 0.004372841 0.000637059 -0.001079464 0.009788862 -0.007614066 -0.014030291 -0.000255407 -0.002736396 0.000915244 0.005697110 0.008242146 0.002093117 0.000957791 0.014122361 0.003905293 0.000418645 -0.015135229 0.000894640 -0.000655602 0.005611157 0.000817821 -0.000943175 -0.006439342 0.003064016 -0.004342292 0.000421919 0.000794852 0.000374572 0.002353489 0.000551434 -0.000470554 -0.002188708 -0.000366108 -0.003995196 -0.002017529 -0.003617839 0.003653890 0.003408628 0.005262890 -0.001505391 0.000927730 0.001552483 -0.004020139 0.003673172 0.002665555 -0.001842084 -0.002261422 -0.000586360 0.006730871 0.001221329 0.004555825 -0.000071014 -0.001200732 -0.003677352 0.004168246 -0.001489564 -0.000761819 -0.005866186 0.001847437 -0.003014563 -0.001671298 0.000317299 -0.003283866 -0.000651935 0.001891418 0.007762967 0.001981055 0.000298661 -0.002799210 -0.002079839 0.005706972 -0.002046638 -0.003107197 -0.005242450 -0.000152176 -0.002194066 0.005399855 0.006653150 -0.000324883 -0.001179550 -0.003636859 0.005838324 -0.000764222 0.006293245 -0.000076998 0.002151505 0.000368305 -0.003337736 -0.004861526 -0.003612716 0.005870908 -0.000903643 0.000033561 0.000394606 0.002765402 0.000477667 0.000720801 -0.002130238 0.105996700 0.019132075 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1062.00595648925 -1062.00596182138 -0.000005332126 -1062.00595820812 0.000003613255 -1062.00596251582 -0.000004307699 -1062.00596262846 -0.000000112643 -1062.00596263017 -0.000000001710 -1062.00596263043 -0.000000000259 -1062.00596263044 -0.000000000003 -1062.00596263043 0.000000000009 -1062.00596263 9 1.057124959486e+03 -5.262763989319e+03 1.757775339554e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=312081697. IVT= 169144 IEndB= 169144 NGot= 939524096 MDV= 632987072 LenX= 632987072 LenY= 632937347 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= 24753 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -76.461252 -24.242907 -18.732549 -9.946480 -9.932987 -9.931948 -9.930271 -9.926274 -9.924819 -9.918629 -9.917344 -9.901058 -9.900447 -9.893663 -9.892939 -9.892170 -9.891648 -6.434563 -4.653134 -4.649843 -4.648089 -1.045733 -0.874101 -0.798748 -0.756070 -0.750027 -0.692125 -0.686612 -0.634069 -0.629547 -0.626473 -0.624168 -0.594843 -0.560236 -0.548252 -0.505247 -0.494356 -0.454206 -0.431900 -0.429701 -0.417771 -0.411838 -0.402871 -0.399560 -0.398868 -0.390507 -0.381938 -0.368818 -0.360482 -0.359063 -0.352633 -0.342195 -0.339571 -0.338874 -0.331738 -0.328961 -0.326763 -0.323699 -0.309500 -0.307139 -0.305610 -0.300253 -0.293533 -0.289058 -0.286668 -0.242322 -0.241089 -0.235663 -0.216175 -0.070649 -0.053279 -0.024302 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26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 39 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 1 P 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0.37248 1.83223 1.82840 1.82883 0.16413 0.16594 0.16475 0.60593 0.53855 0.55528 0.29880 0.33147 0.11933 1.13104 0.86140 1.01472 0.95940 1.37346 1.27757 1.24307 0.53291 0.51277 0.50309 1.13271 0.85905 0.96475 1.01305 1.20669 1.13875 0.96598 0.48472 0.48326 0.37351 1.17443 0.81405 0.70951 0.64167 0.85647 0.83102 0.86738 0.08699 0.09523 0.04865 1.17439 0.81396 0.72515 0.51631 0.84308 0.85554 0.86432 0.05950 0.01005 0.00539 1.17434 0.81400 0.73116 0.64033 0.87204 0.81917 0.92753 0.03034 0.25761 -0.00495 1.17447 0.81386 0.75809 0.43924 0.90668 0.73650 0.91242 -0.13988 0.18909 -0.28846 1.17425 0.81429 0.72227 0.70085 0.92657 0.87144 0.90740 0.21999 0.15566 0.18514 1.17425 0.81429 0.72347 0.69937 0.83643 0.92779 0.94285 0.10335 0.20085 0.23348 1.17424 0.81430 0.72214 0.70364 0.92494 0.92621 0.85777 0.21131 0.22477 0.12339 1.17439 0.81395 0.75279 0.55937 0.92567 0.75387 0.92855 -0.01264 0.22433 0.14346 1.17440 0.81396 0.75316 0.56450 0.92085 0.74397 0.93918 0.02179 0.21496 0.15976 1.17437 0.81397 0.75042 0.55272 0.91818 0.76900 0.93096 0.07992 0.23987 0.16683 1.17437 0.81397 0.74932 0.57995 0.91784 0.76691 0.93296 0.04616 0.25437 0.16265 1.17428 0.81427 0.72569 0.70130 0.90854 0.87581 0.91252 0.20248 0.15524 0.22350 1.17428 0.81427 0.72579 0.70086 0.91828 0.88265 0.89551 0.21765 0.17164 0.19612 1.17426 0.81424 0.72337 0.71769 0.90842 0.91721 0.87882 0.23719 0.22330 0.15152 0.50718 0.24178 0.50793 0.26946 0.50940 0.26166 0.50814 0.25125 0.50674 0.24022 0.50788 0.28218 0.51065 0.25616 0.50761 0.27185 0.50781 0.24859 0.51396 0.22392 0.51126 0.21254 0.51061 0.27811 0.51306 0.27173 0.51021 0.26263 0.51324 0.27010 0.51057 0.27670 0.51056 0.26652 0.51100 0.26884 0.51119 0.26904 0.51140 0.27216 0.51681 0.24717 0.51753 0.22549 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 P F 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 1.209812 -0.409427 -0.622469 -0.125386 0.132310 -0.261576 0.497984 -0.677843 -0.656127 -0.682719 -0.263765 -0.306529 -0.396232 -0.398498 -0.693629 -0.697054 -0.746003 0.251043 0.222615 0.228935 0.240612 0.253042 0.209948 0.233190 0.220537 0.243606 0.262120 0.276199 0.211278 0.215210 0.227154 0.216662 0.212735 0.222916 0.220152 0.219769 0.216437 0.236020 0.256972 0.00000 1.34733101e+00 1.69166988e+00 8.64798012e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.4246 4.2998 2.1981 5.9201 -103.4170 -117.9986 -112.8720 -12.7279 -7.4503 -3.4890 8.0122 -6.5694 -1.4428 -12.7279 -7.4503 -3.4890 51.2227 -8.0480 29.6627 14.3746 34.3375 28.4222 31.4704 1.9240 7.2785 5.8791 -6324.7159 -820.5068 -887.4557 -28.5609 -76.7016 42.7633 -18.4847 -53.4176 -53.7719 -1264.8044 -1304.1573 -303.9228 -25.8920 -20.5480 -7.7097 0 -1062.0059626 2.692E-9 4.552E-5 5.9568956,-4.88421,-1.0726855,-9.4628898,-5.5391229,-2.5939651 C01 [X(C14H22F1O1P1)] 1.347331 1.6916699 0.864798 @ 0.000128813 0.000148700 0.000289105 -0.000015647 -0.000029347 0.000004155 -0.000094078 -0.000100400 -0.000270869 -0.000025894 0.000004336 -0.000031419 -0.000025158 0.000025176 -0.000001589 -0.000020911 0.000010646 0.000001585 0.000014187 0.000037582 0.000065571 0.000015268 -0.000044821 0.000014539 0.000038039 -0.000020131 -0.000005870 0.000028508 -0.000024972 0.000009062 -0.000024554 -0.000003381 -0.000019252 -0.000011846 0.000001035 0.000013765 0.000031327 -0.000010316 -0.000023170 -0.000029642 -0.000012132 -0.000036585 0.000011427 -0.000006230 0.000020595 0.000000752 -0.000034135 0.000008310 0.000029824 -0.000003754 -0.000007069 -0.000005196 0.000012127 -0.000004752 0.000007597 0.000004194 -0.000005709 -0.000003239 0.000014937 -0.000007252 -0.000013682 0.000005249 0.000000610 -0.000009704 -0.000001043 -0.000002095 -0.000006494 -0.000006897 -0.000002650 -0.000001637 0.000007046 -0.000002600 -0.000002130 -0.000001587 -0.000003272 -0.000006704 0.000008878 0.000005599 0.000005063 0.000005685 0.000006100 0.000010234 -0.000002666 -0.000004903 -0.000009921 -0.000001707 -0.000001284 -0.000010422 0.000010656 0.000005325 -0.000004116 0.000003326 -0.000006479 -0.000011879 0.000006736 -0.000002028 -0.000006415 0.000001282 -0.000000301 -0.000005529 0.000002115 -0.000001461 -0.000006575 0.000005548 -0.000010138 0.000001607 0.000010627 -0.000001692 0.000016938 -0.000000535 -0.000003038 0.000015882 -0.000010294 0.000003838 -0.000004093 -0.000011532 0.000007313 234.1213641999999 AuxInfo=1/0/N:15,16,17,8,9,10,13,14,11,12,7,6,5,4,2,3,1/E:(1,2,3)(4,5,6)(7,8)(9,10)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,16.1,17.4/rA:39P4FO1CCC3C3CCCC3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;;s1;s5;s4;s4;s4;s6;s6;s7s11;s7s12;s5;s5;s5;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s12;s15;s15;s15;s16;s16;s16;s17;s17;s17;s13;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2022 CBGUSER 000283270 EM64L-G09RevD.01 30-Mar-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 111 C1[X(C14H22FOP)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 234.1213641999999 0 1 AuxInfo=1/0/N:15,16,17,8,9,10,13,14,11,12,7,6,5,4,2,3,1/E:(1,2,3)(4,5,6)(7,8)(9,10)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,16.1,17.4/rA:39P4FO1CCC3C3CCCC3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;;s1;s5;s4;s4;s4;s6;s6;s7s11;s7s12;s5;s5;s5;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s12;s15;s15;s15;s16;s16;s16;s17;s17;s17;s13;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-31386.inp" -scrdir="/scratch/" chk=000283270-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 000283270 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 31 19 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 30.9737634 18.9984033 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 1 1 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 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| 0.000351 0.000071 0.075891 0.027772 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.688006e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1385.8577173630 222 508 222 69 69 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 39 39 39 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 234.1213641999999 AuxInfo=1/0/N:15,16,17,8,9,10,13,14,11,12,7,6,5,4,2,3,1/E:(1,2,3)(4,5,6)(7,8)(9,10)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,16.1,17.4/rA:39P4FO1CCC3C3CCCC3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;;s1;s5;s4;s4;s4;s6;s6;s7s11;s7s12;s5;s5;s5;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s12;s15;s15;s15;s16;s16;s16;s17;s17;s17;s13;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.770182 0.000000 1.594519 2.825680 0.000000 1.916575 2.812594 2.951587 0.000000 6.251613 6.808407 7.022191 7.254329 0.000000 1.851000 2.776756 2.892728 3.149354 4.401296 0.000000 4.705263 5.333711 5.517688 5.763439 1.546484 2.855180 0.000000 2.781482 4.171012 3.378117 1.549578 7.254014 3.581186 5.845127 0.000000 2.784775 3.199866 3.295493 1.548962 8.705671 4.432914 7.188102 2.550595 0.000000 2.851595 3.113171 4.251254 1.544393 7.062114 3.481761 5.681090 2.554213 2.554019 0.000000 2.866874 3.063604 4.153496 3.834218 3.878981 1.415492 2.473046 4.465617 5.139571 3.579446 0.000000 2.806146 4.029787 3.222825 4.086599 3.901478 1.412705 2.468880 4.042504 5.363774 4.630227 2.447504 0.000000 4.168612 4.424126 5.295807 5.111236 2.570134 2.440320 1.423893 5.511367 6.491574 4.765306 1.408005 2.814348 0.000000 4.132771 5.141245 4.612957 5.305998 2.602417 2.444721 1.418746 5.180260 6.673575 5.595811 2.820651 1.412097 2.431079 0.000000 6.908442 7.125868 7.674076 8.098991 1.559380 5.115724 2.531533 8.336683 9.460396 7.843790 4.391380 4.811959 3.080482 3.650940 0.000000 6.925577 7.463669 7.901683 7.572033 1.559156 5.122276 2.531872 7.497076 9.085719 7.122319 4.401850 4.821175 3.088931 3.655939 2.544121 0.000000 7.002675 7.804899 7.498551 8.059411 1.550264 5.215148 2.573671 7.828340 9.499495 8.083869 5.045407 4.323589 3.900801 2.913228 2.521027 2.520272 0.000000 2.941373 4.497881 2.969604 2.205499 7.646870 3.910020 6.227307 1.104736 2.788199 3.521184 5.031486 4.118154 6.065690 5.341588 8.732596 8.051804 8.053233 0.000000 3.781733 4.978949 4.385970 2.175799 8.068865 4.592140 6.720953 1.106049 2.798026 2.800835 5.327272 5.081258 6.337733 6.136639 9.198641 8.147312 8.659030 1.790451 0.000000 2.997542 4.470758 3.733068 2.215339 6.345501 3.169852 5.016831 1.106035 3.526564 2.809509 3.979685 3.436685 4.816837 4.384945 7.526683 6.516070 6.878432 1.794937 1.787651 0.000000 3.015178 2.776179 3.630205 2.205707 8.953751 4.674817 7.438724 3.520344 1.104100 2.782497 5.192420 5.772985 6.589788 7.057701 9.545788 9.365568 9.862122 3.814892 3.804631 4.388792 0.000000 2.915260 3.566030 2.843430 2.203650 9.028193 4.685521 7.492741 2.809925 1.104340 3.519001 5.618722 5.412381 6.953308 6.793362 9.794833 9.547441 9.682678 2.593886 3.174956 3.825741 1.790556 0.000000 3.782943 4.202428 4.307086 2.175571 9.416853 5.294213 7.935661 2.776788 1.106288 2.822278 5.922948 6.192043 7.228489 7.452908 10.249975 9.655381 10.212831 3.107319 2.566839 3.802666 1.793122 1.794180 0.000000 3.078478 3.502227 4.565296 2.211124 6.132868 3.072048 4.834614 2.797225 3.528512 1.105190 2.946764 4.137465 3.938592 4.890553 6.981215 6.079693 7.184026 3.818615 3.137307 2.598387 3.814400 4.384536 3.829189 0.000000 3.832700 4.111923 5.095633 2.168938 7.907808 4.519919 6.588733 2.806618 2.787710 1.106546 4.605467 5.575569 5.701166 6.507642 8.758936 7.814651 8.908421 3.817488 2.598534 3.168915 3.105948 3.814188 2.602030 1.785040 0.000000 3.050667 2.647586 4.497990 2.203754 7.314744 3.740617 5.944520 3.523538 2.807211 1.104189 3.602401 5.057240 4.845482 6.002830 7.893142 7.427674 8.458060 4.379941 3.819980 3.824462 2.581541 3.808918 3.192867 1.796264 1.788435 0.000000 3.015540 2.647650 4.467875 3.732178 4.744804 2.181593 3.461091 4.668255 4.881169 3.179550 1.094640 3.440349 2.175092 3.914790 5.073943 5.104447 6.024651 5.345312 5.420715 4.364836 4.741562 5.507210 5.626835 2.693075 4.190612 2.906812 0.000000 2.904087 4.373701 2.780287 4.170462 4.783414 2.174389 3.460290 3.913276 5.281874 5.033552 3.438427 1.095851 3.909831 2.182756 5.718013 5.741730 4.935975 3.694713 4.972791 3.439636 5.803232 5.116926 6.108908 4.707035 5.914879 5.543511 4.343143 0.000000 7.997067 8.224492 8.746518 9.144130 2.198683 6.189065 3.497376 9.321299 10.530025 8.845338 5.455152 5.815076 4.105183 4.568145 1.105986 2.785237 2.734437 9.723177 10.152824 8.464177 10.629345 10.872896 11.295851 7.940756 9.723274 8.910143 6.111211 6.681777 0.000000 6.765004 6.740952 7.695134 7.882895 2.221149 5.045152 2.799255 8.290958 9.205172 7.463461 4.068403 5.050448 2.798933 4.089927 1.104592 2.803566 3.503153 8.786995 9.116699 7.543108 9.188122 9.634771 9.979455 6.619955 8.369872 7.388768 4.542109 6.049620 1.786445 0.000000 6.763365 6.954632 7.345169 8.162073 2.210097 5.057076 2.787582 8.450119 9.438792 8.076304 4.518069 4.667027 3.402515 3.597026 1.105177 3.517149 2.790334 8.731474 9.391125 7.715495 9.492189 9.670773 10.308138 7.313698 9.060687 8.085153 5.234249 5.469319 1.791977 1.785930 0.000000 6.771902 7.096655 7.917325 7.313301 2.220241 5.041430 2.792452 7.409707 8.797194 6.667944 4.070346 5.049485 2.800282 4.086209 2.808945 1.104559 3.502385 8.079450 8.011685 6.493376 8.984370 9.364373 9.338627 5.621608 7.335821 6.864712 4.568047 6.062581 3.154542 2.615861 3.828213 0.000000 8.011950 8.518599 8.950104 8.676790 2.198971 6.194465 3.497871 8.574185 10.191573 8.204893 5.460772 5.825428 4.107929 4.575679 2.779149 1.106037 2.740797 9.114552 9.204763 7.574401 10.464879 10.649369 10.754402 7.152196 8.872949 8.493625 6.132171 6.706312 2.561759 3.135842 3.799099 1.786412 0.000000 6.804682 7.552560 7.759060 7.250850 2.209936 5.079128 2.794884 6.975523 8.794316 6.842237 4.547772 4.690905 3.426782 3.610740 3.517296 1.105394 2.782303 7.530075 7.546452 5.933620 9.190717 9.246288 9.279273 5.776615 7.439308 7.300193 5.298284 5.518166 3.800137 3.828047 4.382362 1.786873 1.791792 0.000000 8.074229 8.809133 8.597338 9.099059 2.183169 6.266243 3.521410 8.863520 10.556135 9.040893 5.979377 5.423035 4.734149 4.011235 2.741674 2.735393 1.105168 9.117712 9.658028 7.887097 10.903074 10.767900 11.251192 8.099787 9.838418 9.394092 6.901309 6.038030 2.489249 3.752453 3.129464 3.751079 2.489797 3.109730 0.000000 6.911903 7.713041 7.205933 8.172315 2.213929 5.208253 2.862832 7.985604 9.530274 8.363822 5.214510 4.196171 4.213524 2.868713 2.777681 3.505599 1.105657 8.083749 8.898476 7.115872 9.868954 9.605654 10.321588 7.558695 9.256946 8.698599 6.224136 4.670008 3.080186 3.815417 2.590294 4.387107 3.761123 3.814095 1.783262 0.000000 6.915065 7.927529 7.367648 7.799142 2.213745 5.204462 2.857648 7.365963 9.260662 7.888074 5.214492 4.194020 4.213424 2.863968 3.506330 2.781847 1.105792 7.558967 8.134916 6.364815 9.737926 9.418854 9.900181 6.980979 8.633011 8.397652 6.236114 4.680083 3.759236 4.387882 3.817922 3.815210 3.098041 2.586255 1.783501 1.794243 0.000000 5.024524 4.996967 6.250970 5.828984 2.763871 3.424931 2.185861 6.331433 7.173985 5.233906 2.157856 3.909787 1.095652 3.430280 2.918834 2.938874 4.277870 6.982620 7.071796 5.650716 7.171477 7.738149 7.860962 4.373066 6.103562 5.177661 2.481943 5.005100 3.825814 2.295542 3.453169 2.316300 3.834200 3.493596 4.915577 4.713965 4.720501 0.000000 4.964463 6.097026 5.186582 6.124448 2.824144 3.425197 2.182578 5.801256 7.458626 6.533952 3.913619 2.159045 3.430877 1.093210 3.930180 3.938543 2.512492 5.820586 6.738368 4.973783 7.920451 7.471485 8.218851 5.837939 7.399651 7.012549 5.007643 2.489330 4.679345 4.607497 3.797464 4.607855 4.692498 3.813315 3.594766 2.288741 2.288227 4.348322 0.000000 C14H22FOP C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 234.1213641999999 AuxInfo=1/0/N:15,16,17,8,9,10,13,14,11,12,7,6,5,4,2,3,1/E:(1,2,3)(4,5,6)(7,8)(9,10)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,16.1,17.4/rA:39P4FO1CCC3C3CCCC3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;;s1;s5;s4;s4;s4;s6;s6;s7s11;s7s12;s5;s5;s5;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s12;s15;s15;s15;s16;s16;s16;s17;s17;s17;s13;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.9320282 0.1913836 0.1889395 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= 11325 NPrTT= 55700 LenC2= 10042 LenP2D= 31639. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 222 RedAO= T EigKep= 6.95D-04 NBF= 222 NBsUse= 222 1.00D-06 EigRej= -1.00D+00 NBFU= 222 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= 217 217 217 217 217 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 0 1 -1061.41046946955 -1061.11008749734 0.300381972212 -1061.56910134350 -0.459013846166 -1060.71451817630 0.854583167203 -1061.98190703556 -1.267388859259 -1061.99416385664 -0.012256821079 -1062.00524759539 -0.011083738748 -1062.00570991012 -0.000462314733 -1062.00579913066 -0.000089220542 -1062.00580567111 -0.000006540445 -1062.00591144868 -0.000105777572 -1062.00590975857 0.000001690110 -1062.00591204018 -0.000002281608 -1062.00591204829 -0.000000008112 -1062.00591208542 -0.000000037133 -1062.00591208828 -0.000000002855 -1062.00591208846 -0.000000000180 -1062.00591208849 -0.000000000035 -1062.00591208851 -0.000000000024 -1062.00591209 19 1.057125313578e+03 -5.262764449284e+03 1.757775506254e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=312082069. IVT= 169516 IEndB= 169516 NGot= 939524096 MDV= 632986700 LenX= 632986700 LenY= 632936975 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= 24753 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= 39. Will process 40 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111 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= 939523480 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=311923977. 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= 24753 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 120 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 117 vectors produced by pass 0 Test12= 1.06D-14 1.00D-09 XBig12= 3.22D+02 9.83D+00. AX will form 117 AO Fock derivatives at one time. 117 vectors produced by pass 1 Test12= 1.06D-14 1.00D-09 XBig12= 7.72D+01 1.78D+00. 117 vectors produced by pass 2 Test12= 1.06D-14 1.00D-09 XBig12= 2.21D-01 4.44D-02. 117 vectors produced by pass 3 Test12= 1.06D-14 1.00D-09 XBig12= 5.35D-05 6.60D-04. 59 vectors produced by pass 4 Test12= 1.06D-14 1.00D-09 XBig12= 5.71D-09 7.61D-06. 6 vectors produced by pass 5 Test12= 1.06D-14 1.00D-09 XBig12= 3.86D-13 6.67D-08. 2 vectors produced by pass 6 Test12= 1.06D-14 1.00D-09 XBig12= 3.77D-16 1.57D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 535 with 120 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 179.55 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 242.437 -2.848 159.542 -0.892 -11.077 136.665 362.739 -17.141 328.697 -9.642 -46.536 241.981 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2832.100S 2018-03-30T09:59:02.000+02:00 -76.46124 -24.24288 -18.73254 -9.94648 -9.93299 -9.93195 -9.93028 -9.92628 -9.92482 -9.91863 -9.91735 -9.90105 -9.90043 -9.89365 -9.89294 -9.89217 -9.89165 -6.43455 -4.65313 -4.64983 -4.64808 -1.04572 -0.87410 -0.79874 -0.75607 -0.75003 -0.69213 -0.68661 -0.63407 -0.62955 -0.62647 -0.62417 -0.59485 -0.56024 -0.54826 -0.50524 -0.49435 -0.45420 -0.43190 -0.42970 -0.41777 -0.41184 -0.40286 -0.39956 -0.39886 -0.39051 -0.38194 -0.36881 -0.36047 -0.35906 -0.35263 -0.34219 -0.33957 -0.33887 -0.33174 -0.32896 -0.32676 -0.32370 -0.30950 -0.30714 -0.30561 -0.30025 -0.29353 -0.28905 -0.28667 -0.24233 -0.24108 -0.23567 -0.21617 -0.07065 -0.05328 -0.02430 0.00943 0.04871 0.06215 0.07293 0.08029 0.09177 0.10065 0.10360 0.10848 0.11044 0.11332 0.11557 0.12157 0.12280 0.13747 0.13976 0.14677 0.15510 0.15576 0.15776 0.15924 0.16658 0.16771 0.16874 0.17154 0.17871 0.19479 0.19933 0.20263 0.20467 0.20598 0.21185 0.22632 0.22851 0.23231 0.24287 0.26033 0.26838 0.27005 0.27715 0.27991 0.28105 0.29532 0.29757 0.30470 0.31418 0.32212 0.32801 0.33429 0.35082 0.35901 0.36464 0.37393 0.37601 0.38000 0.38218 0.38495 0.39010 0.39663 0.40127 0.41661 0.42569 0.43211 0.43533 0.44525 0.45692 0.46226 0.48105 0.49021 0.49149 0.49657 0.50836 0.54687 0.55020 0.56273 0.59149 0.60668 0.60801 0.62575 0.63382 0.65081 0.71120 0.73302 0.73415 0.74697 0.79461 0.79739 0.81846 0.82991 0.86432 0.87306 0.88727 0.90838 0.92641 0.94325 0.94603 0.96521 0.97407 0.98213 0.98573 1.02212 1.02719 1.03408 1.05169 1.05614 1.07150 1.08221 1.08564 1.09142 1.11392 1.13226 1.14229 1.14695 1.15055 1.15626 1.16498 1.18169 1.19117 1.23703 1.24905 1.25486 1.27423 1.29309 1.30048 1.37516 1.44972 1.50690 1.57883 1.79927 4.70419 4.79722 4.80869 6.38397 22.33443 22.49826 22.53472 22.56318 22.58700 22.61950 22.62196 22.62327 22.63623 22.64629 22.65614 22.70189 22.72863 22.78165 41.52737 52.93970 166.76371 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 P F 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 1.209836 -0.409481 -0.622486 -0.125302 0.132263 -0.261593 0.497815 -0.677948 -0.656063 -0.682309 -0.263869 -0.306452 -0.396115 -0.398489 -0.693630 -0.697142 -0.745877 0.251042 0.222622 0.228944 0.240602 0.253017 0.209920 0.233103 0.220445 0.243502 0.262121 0.276181 0.211288 0.215199 0.227166 0.216674 0.212749 0.222932 0.220149 0.219770 0.216410 0.236007 0.256998 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 P F O C C C C C C C C C C C C C C 1.209836 -0.409481 -0.622486 -0.125302 0.132263 -0.261593 0.497815 0.024660 0.047477 0.014741 -0.001748 -0.030271 -0.160108 -0.141490 -0.039977 -0.044787 -0.089548 0.00000 -1.32056486e+00 1.42595623e+00 1.28355186e+00 2.42437051e+02 -2.84796929e+00 1.59542338e+02 -8.91793402e-01 -1.10768277e+01 1.36664596e+02 -30.1083 -8.8466 -4.3529 0.0020 0.0021 0.0021 8.4912 27.9542 39.1477 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -22.6438 25.1464 38.5609 66.6094 93.8919 104.4147 158.8358 176.2958 181.1194 194.6093 199.4069 210.1719 234.9583 243.2548 251.8449 255.9039 264.0856 277.4902 307.1434 312.3647 329.5728 335.7837 348.9976 374.8128 381.4640 404.9448 407.9836 438.3514 460.2296 467.6562 540.4059 564.1160 604.8476 627.3100 650.6665 735.0648 750.9643 797.0867 833.6948 849.6389 861.4853 920.4297 932.8643 940.9014 942.0323 944.0767 955.6421 969.5449 984.6418 1005.7787 1011.2855 1014.7968 1021.6190 1025.9002 1034.2062 1088.5168 1120.8672 1129.5226 1189.7498 1202.3779 1207.4887 1217.0433 1217.7074 1226.1504 1272.1346 1309.1303 1358.1598 1377.8015 1377.9510 1379.4389 1381.4903 1401.1358 1407.2555 1407.9853 1451.3387 1460.4592 1465.4605 1465.8619 1467.1484 1469.5128 1474.9228 1478.7486 1479.2794 1488.1121 1489.1887 1495.1291 1499.1869 1567.8258 1605.7078 2973.6227 2974.2105 2976.0558 2977.2809 2980.7539 2981.8948 3066.6281 3070.3208 3070.4490 3071.7793 3072.0303 3079.0158 3079.1343 3080.1358 3082.6639 3083.8516 3089.1042 3094.8673 3133.2331 3138.8218 3159.5795 3170.2679 2.7270 3.3585 3.8333 3.6674 4.4052 5.3875 2.5137 1.4519 2.4586 2.2582 2.5709 1.9172 1.2585 2.1541 2.2654 1.2993 1.2773 2.7317 1.3841 1.7441 3.4154 2.8641 3.0763 2.9255 2.6705 2.8460 3.3358 3.7945 2.9891 3.6245 3.2182 2.8752 4.8444 7.2527 11.8424 5.9505 3.6685 3.0189 2.6234 1.5403 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