Gaussian 09 GINC-KIMIK2080 CBGUSER 000289821 EM64L-G09RevD.01 13-Apr-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInputnosymm 256.16879999999986 0 1 AuxInfo=1/0/N:19,20,17,18,15,16,5,6,7,8,13,14,9,10,11,12,3,4,1,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/CRV:13.3,14.3,15.3,16.3,17.1,18.1/rA:46OOO1O1CCCCC3C3C3C3CCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s6;s7;s8s9;s1s3s9;s2s4s10;s1;s2;s13;s14;s15;s16;s17;s18;s5;s5;s6;s6;s7;s7;s8;s8;s13;s13;s14;s14;s15;s15;s16;s16;s17;s17;s18;s18;s19;s19;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-5320.inp" -scrdir="/scratch/" chk=000289821.chk nprocshared=4 mem=3GB #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 000289821 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 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 2 2 3 4 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 11 13 12 14 11 12 6 7 21 22 8 23 24 9 25 26 10 27 28 10 11 12 15 29 30 16 31 32 17 33 34 18 35 36 19 37 38 20 39 40 41 42 43 44 45 46 1.3706 1.47 1.3706 1.47 1.2083 1.2083 1.5334 1.5353 1.1083 1.106 1.5353 1.1083 1.106 1.5016 1.1124 1.1122 1.5016 1.1124 1.1122 1.3421 1.4964 1.4964 1.5229 1.1027 1.1035 1.5229 1.1035 1.1027 1.5348 1.1078 1.111 1.5348 1.111 1.1078 1.5259 1.1066 1.1134 1.5259 1.1066 1.1134 1.0951 1.0965 1.0967 1.0951 1.0965 1.0967 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 11 12 6 6 6 7 7 21 5 5 5 8 8 23 5 5 5 9 9 25 6 6 6 10 10 27 7 7 10 8 8 9 1 1 3 2 2 4 1 1 1 15 15 29 2 2 2 16 16 31 13 13 13 17 17 33 14 14 14 18 18 35 15 15 15 19 19 37 16 16 16 20 20 39 17 17 17 41 41 42 18 18 18 44 44 45 1 2 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 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 13 14 7 21 22 21 22 22 8 23 24 23 24 24 9 25 26 25 26 26 10 27 28 27 28 28 10 11 11 9 12 12 3 9 9 4 10 10 15 29 30 29 30 30 16 31 32 31 32 32 17 33 34 33 34 34 18 35 36 35 36 36 19 37 38 37 38 38 20 39 40 39 40 40 41 42 43 42 43 43 44 45 46 45 46 46 117.7164 117.7162 110.961 109.8154 110.3082 109.6504 109.8413 106.1493 110.9611 109.8154 110.3081 109.6505 109.8412 106.1492 112.07 109.802 110.1372 109.8579 108.7489 106.041 112.07 109.8021 110.1373 109.8578 108.7489 106.041 123.4819 113.8858 122.6297 123.482 113.8859 122.6296 122.4547 108.5257 129.0017 122.4546 108.526 129.0016 104.087 106.7291 108.4753 113.189 114.06 109.7891 104.0872 108.4754 106.729 114.0601 113.1888 109.7891 112.3743 109.17 109.3028 110.4428 109.2775 106.072 112.3746 109.3027 109.1697 109.2776 110.4427 106.072 111.6313 110.1527 109.1118 109.8763 109.679 106.2405 111.6312 110.1527 109.1119 109.8763 109.6789 106.2405 111.9697 110.9725 111.5004 107.5708 107.5992 106.99 111.9698 110.9725 111.5004 107.5709 107.5992 106.9901 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 13 13 11 11 11 14 14 12 12 12 7 7 7 21 21 21 22 22 22 6 6 6 21 21 21 22 22 22 5 5 5 23 23 23 24 24 24 5 5 25 25 26 26 6 6 27 27 28 28 7 7 11 11 7 7 10 10 8 8 9 9 1 1 1 29 29 29 30 30 30 2 2 2 31 31 31 32 32 32 13 13 13 33 33 33 34 34 34 14 14 14 35 35 35 36 36 36 15 15 15 37 37 37 38 38 38 16 16 16 39 39 39 40 40 40 1 1 1 1 1 2 2 2 2 2 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 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 9 9 10 10 10 10 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 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 18 18 18 18 18 18 18 18 18 11 11 13 13 13 12 12 14 14 14 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 10 10 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 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 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 3 9 15 29 30 4 10 16 31 32 8 23 24 8 23 24 8 23 24 9 25 26 9 25 26 9 25 26 10 27 28 10 27 28 10 27 28 10 11 10 11 10 11 9 12 9 12 9 12 8 12 8 12 1 3 1 3 2 4 2 4 17 33 34 17 33 34 17 33 34 18 35 36 18 35 36 18 35 36 19 37 38 19 37 38 19 37 38 20 39 40 20 39 40 20 39 40 41 42 43 41 42 43 41 42 43 44 45 46 44 45 46 44 45 46 -3.6807 177.7292 -166.2353 73.8084 -44.4311 -3.6819 177.7293 -166.2366 -44.4322 73.8072 -60.1986 61.1882 177.8414 61.1881 -177.4251 -60.772 177.8413 -60.7719 55.8812 44.5559 166.9385 -76.6482 -76.9276 45.455 161.8683 166.7882 -70.8293 45.584 44.5558 166.9383 -76.6484 -76.9278 45.4547 161.868 166.7879 -70.8296 45.5837 -15.8444 164.7259 -138.1952 42.3752 106.1563 -73.2733 -15.8442 164.7258 -138.195 42.375 106.1566 -73.2734 1.2392 -179.3796 -179.38 0.0011 115.7687 -62.7004 -63.6664 117.8645 115.7693 -62.6985 -63.6662 117.866 72.2572 -164.8553 -49.2405 -172.2529 -49.3655 66.2493 -45.7673 77.1202 -167.265 72.2579 -49.2402 -164.8548 -45.7669 -167.265 77.1204 -172.2523 66.2496 -49.3651 176.9054 54.5523 -61.7082 54.7368 -67.6163 176.1232 -61.5824 176.0645 59.804 176.9051 54.5521 -61.7085 -61.5825 176.0646 59.8039 54.7368 -67.6162 176.1231 -61.0434 178.7413 59.5756 61.4681 -58.7472 -177.9128 177.8996 57.6843 -61.4813 -61.0433 178.7413 59.5757 61.4681 -58.7473 -177.9129 177.8996 57.6842 -61.4813 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 257 276 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 46 46 46 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= 14878 NPrTT= 74418 LenC2= 13447 LenP2D= 41961. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 252 RedAO= T EigKep= 8.84D-04 NBF= 252 NBsUse= 252 1.00D-06 EigRej= -1.00D+00 NBFU= 252 Using GEDIIS/GDIIS optimizer. local minimum Step number 18 out of a maximum of 257 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00295 0.00310 0.00395 0.00424 0.00424 0.00465 0.00496 0.00528 0.00586 0.00794 0.00939 0.01111 0.01226 0.01433 0.02452 0.02623 0.02827 0.03066 0.03422 0.03439 0.03574 0.03619 0.04070 0.04187 0.04306 0.04823 0.04830 0.04841 0.04877 0.04903 0.04925 0.05198 0.05464 0.05509 0.05511 0.05553 0.05560 0.05606 0.05646 0.05651 0.05810 0.05866 0.07391 0.07905 0.07912 0.08246 0.08282 0.08590 0.08686 0.09420 0.09436 0.09601 0.10366 0.11192 0.11230 0.12149 0.12150 0.12164 0.12206 0.12393 0.12615 0.13692 0.14371 0.15943 0.16000 0.16001 0.16004 0.16012 0.16034 0.18736 0.19834 0.21723 0.21912 0.21951 0.22273 0.22445 0.22943 0.23611 0.24394 0.24955 0.25000 0.25104 0.25141 0.26590 0.28018 0.28137 0.28377 0.28382 0.29116 0.29193 0.29817 0.29931 0.30330 0.30437 0.31435 0.31743 0.32247 0.32278 0.32337 0.32353 0.32361 0.32372 0.32495 0.32504 0.32741 0.32781 0.32831 0.32834 0.32865 0.32970 0.32988 0.33010 0.33026 0.33061 0.33239 0.33383 0.33533 0.33607 0.34055 0.34059 0.34075 0.34108 0.34230 0.34241 0.35748 0.37262 0.44710 0.50022 0.50908 0.61402 0.82470 1.00777 RFO step: Lambda=-1.61525629D-08. 1 2 0.00054090 0.00000014 0.00000011 0.00000008 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 2.63707 2.82658 2.63707 2.82658 2.37457 2.37456 2.92056 2.91466 2.09396 2.08930 2.91467 2.09396 2.08929 2.87769 2.09185 2.09837 2.87769 2.09185 2.09837 2.58581 2.83126 2.83127 2.88921 2.08862 2.09047 2.88921 2.09048 2.08861 2.92132 2.09723 2.09289 2.92133 2.09290 2.09723 2.91616 2.09863 2.09041 2.91617 2.09862 2.09040 2.09156 2.08836 2.09048 2.09156 2.08836 2.09048 2.02784 2.02786 1.92431 1.90502 1.93507 1.91353 1.91513 1.86991 1.92431 1.90502 1.93507 1.91354 1.91514 1.86991 1.97039 1.94250 1.92168 1.87872 1.90235 1.84320 1.97038 1.94250 1.92169 1.87872 1.90235 1.84320 2.13903 1.98919 2.15496 2.13902 1.98920 2.15495 2.14961 1.95470 2.17517 2.14962 1.95468 2.17519 1.87214 1.88786 1.88356 1.96480 1.96164 1.89085 1.87214 1.88361 1.88780 1.96163 1.96481 1.89086 1.99270 1.87791 1.90132 1.91034 1.91399 1.86294 1.99268 1.90135 1.87789 1.91402 1.91032 1.86293 1.96132 1.90249 1.90493 1.91112 1.91635 1.86509 1.96131 1.90248 1.90495 1.91110 1.91639 1.86505 1.94150 1.94249 1.93572 1.88279 1.87994 1.87868 1.94152 1.94249 1.93572 1.88279 1.87993 1.87868 -0.06447 -3.11746 2.96233 0.83873 -1.20344 -0.06415 -3.11733 2.96267 -1.20309 0.83910 -1.08652 1.01638 3.07222 1.01638 3.11927 -1.10807 3.07222 -1.10807 0.94777 0.77924 2.89424 -1.35117 -1.31854 0.79647 2.83424 2.91546 -1.25272 0.78506 0.77926 2.89426 -1.35115 -1.31852 0.79648 2.83426 2.91548 -1.25271 0.78507 -0.18758 2.95007 -2.33839 0.79927 1.95365 -1.19188 -0.18761 2.95015 -2.33841 0.79934 1.95363 -1.19180 -0.12084 3.02496 3.02507 -0.11232 2.35826 -0.69319 -0.78731 2.44442 2.35855 -0.69309 -0.78692 2.44462 1.13219 -3.02708 -1.01374 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0.00030 0.00020 0.00028 0.00022 0.00015 0.00019 0.00012 0.00013 0.00011 0.00011 0.00015 0.00013 0.00012 0.00015 0.00013 0.00012 -0.00003 -0.00004 -0.00004 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 -0.00004 -0.00004 -0.00004 -0.00001 -0.00001 0.00000 -0.00003 -0.00003 -0.00002 -0.00014 -0.00015 -0.00015 -0.00014 -0.00015 -0.00015 -0.00011 -0.00013 -0.00013 0.00004 0.00004 0.00004 0.00004 0.00003 0.00003 0.00003 0.00003 0.00003 0.00002 0.00002 0.00001 0.00003 0.00003 0.00003 0.00004 0.00004 0.00003 0.00001 0.00003 0.00000 0.00003 -0.00003 -0.00003 -0.00002 -0.00002 0.00000 0.00000 -0.00002 0.00000 0.00000 0.00002 0.00000 0.00001 0.00002 0.00000 0.00001 -0.00003 0.00001 0.00000 -0.00005 -0.00002 0.00000 -0.00005 0.00000 -0.00001 0.00002 0.00001 0.00000 0.00002 -0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00003 0.00002 0.00002 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00002 -0.00002 0.00000 0.00000 0.00002 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00003 -0.00001 -0.00001 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-0.00007 0.00001 -0.00001 0.00003 -0.00001 -0.00001 -0.00002 0.00001 -0.00001 0.00003 -0.00001 -0.00001 -0.00002 0.00003 0.00002 0.00002 -0.00003 -0.00002 -0.00002 0.00003 0.00002 0.00002 -0.00002 -0.00002 -0.00003 -0.00001 -0.00002 0.00003 -0.00001 -0.00003 0.00004 0.00003 -0.00005 0.00003 0.00001 -0.00003 0.00001 -0.00005 0.00001 -0.00001 0.00007 -0.00008 0.00006 -0.00004 -0.00005 0.00006 -0.00007 0.00006 0.00004 -0.00003 -0.00005 0.00006 0.00002 0.00001 -0.00001 0.00000 0.00003 -0.00004 -0.00002 0.00003 0.00000 0.00004 -0.00003 -0.00002 0.00003 0.00001 -0.00004 0.00004 -0.00003 -0.00003 0.00004 -0.00003 0.00001 0.00002 0.00002 -0.00002 0.00000 -0.00001 -0.00001 0.00000 0.00002 -0.00002 0.00000 0.00000 -0.00001 0.00036 0.00022 -0.00004 -0.00011 -0.00017 0.00003 0.00018 -0.00042 -0.00055 -0.00050 0.00007 0.00006 0.00005 0.00006 0.00006 0.00005 0.00005 0.00005 0.00004 -0.00002 -0.00002 -0.00002 -0.00001 -0.00001 -0.00002 0.00002 0.00001 0.00001 -0.00005 -0.00005 -0.00006 -0.00005 -0.00004 -0.00006 -0.00002 -0.00001 -0.00003 -0.00002 -0.00003 -0.00004 -0.00005 0.00002 0.00000 0.00002 -0.00010 0.00000 -0.00013 0.00005 -0.00007 0.00001 0.00015 0.00003 0.00017 0.00035 0.00021 0.00034 0.00020 0.00000 0.00015 -0.00013 0.00002 0.00002 -0.00001 -0.00001 0.00005 0.00001 0.00001 0.00012 0.00008 0.00008 -0.00010 -0.00010 -0.00009 0.00002 0.00002 0.00003 -0.00002 -0.00002 -0.00001 -0.00009 -0.00013 -0.00006 -0.00001 -0.00006 0.00001 -0.00002 -0.00006 0.00001 -0.00026 -0.00032 -0.00029 -0.00023 -0.00029 -0.00027 -0.00023 -0.00029 -0.00026 0.00000 -0.00002 -0.00001 0.00001 -0.00001 0.00000 -0.00001 -0.00003 -0.00002 0.00004 0.00002 0.00003 0.00006 0.00004 0.00005 0.00007 0.00006 0.00006 2.63705 2.82657 2.63705 2.82657 2.37457 2.37456 2.92055 2.91465 2.09396 2.08930 2.91465 2.09396 2.08930 2.87771 2.09186 2.09837 2.87771 2.09186 2.09837 2.58578 2.83126 2.83126 2.88915 2.08860 2.09047 2.88915 2.09047 2.08861 2.92135 2.09724 2.09289 2.92136 2.09289 2.09724 2.91615 2.09865 2.09042 2.91615 2.09865 2.09042 2.09156 2.08836 2.09048 2.09156 2.08836 2.09048 2.02781 2.02779 1.92432 1.90501 1.93510 1.91353 1.91513 1.86990 1.92432 1.90502 1.93510 1.91353 1.91512 1.86990 1.97041 1.94251 1.92171 1.87869 1.90233 1.84318 1.97042 1.94251 1.92171 1.87869 1.90233 1.84317 2.13901 1.98917 2.15499 2.13902 1.98917 2.15499 2.14964 1.95466 2.17520 2.14963 1.95466 2.17520 1.87209 1.88787 1.88355 1.96487 1.96156 1.89090 1.87210 1.88357 1.88786 1.96156 1.96486 1.89090 1.99267 1.87786 1.90138 1.91035 1.91400 1.86293 1.99268 1.90138 1.87785 1.91400 1.91035 1.86293 1.96136 1.90247 1.90491 1.91115 1.91636 1.86506 1.96136 1.90246 1.90492 1.91114 1.91636 1.86506 1.94152 1.94251 1.93571 1.88278 1.87993 1.87867 1.94152 1.94251 1.93570 1.88279 1.87993 1.87867 -0.06411 -3.11724 2.96229 0.83862 -1.20362 -0.06413 -3.11715 2.96225 -1.20365 0.83859 -1.08646 1.01644 3.07227 1.01644 3.11933 -1.10802 3.07227 -1.10802 0.94781 0.77923 2.89422 -1.35119 -1.31855 0.79645 2.83422 2.91548 -1.25271 0.78507 0.77921 2.89421 -1.35121 -1.31856 0.79644 2.83421 2.91546 -1.25272 0.78505 -0.18760 2.95004 -2.33843 0.79921 1.95367 -1.19187 -0.18758 2.95004 -2.33841 0.79922 1.95369 -1.19187 -0.12082 3.02511 3.02510 -0.11215 2.35861 -0.69298 -0.78697 2.44462 2.35855 -0.69294 -0.78705 2.44465 1.13222 -3.02709 -1.01376 -3.07630 -0.95243 1.06091 -0.93522 1.18865 -3.08120 1.13229 -1.01369 -3.02702 -0.93517 -3.08115 1.18870 -3.07625 1.06096 -0.95238 3.12282 1.00095 -1.03018 1.01695 -1.10492 -3.13605 -1.02126 3.14006 1.10892 3.12284 1.00099 -1.03015 -1.02123 3.14010 1.10896 1.01698 -1.10488 -3.13602 -1.03818 -3.13835 1.05379 1.07873 -1.02144 -3.11249 3.12134 1.02117 -1.06988 -1.03818 -3.13835 1.05379 1.07871 -1.02145 -3.11250 3.12132 1.02115 -1.06989 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000029 0.000005 0.002683 0.000541 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -2.824637e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 2 2 3 4 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 11 13 12 14 11 12 6 7 21 22 8 23 24 9 25 26 10 27 28 10 11 12 15 29 30 16 31 32 17 33 34 18 35 36 19 37 38 20 39 40 41 42 43 44 45 46 1.3955 1.4958 1.3955 1.4958 1.2566 1.2566 1.5455 1.5424 1.1081 1.1056 1.5424 1.1081 1.1056 1.5228 1.107 1.1104 1.5228 1.107 1.1104 1.3684 1.4982 1.4982 1.5289 1.1052 1.1062 1.5289 1.1062 1.1052 1.5459 1.1098 1.1075 1.5459 1.1075 1.1098 1.5432 1.1105 1.1062 1.5432 1.1105 1.1062 1.1068 1.1051 1.1062 1.1068 1.1051 1.1062 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 11 12 6 6 6 7 7 21 5 5 5 8 8 23 5 5 5 9 9 25 6 6 6 10 10 27 7 7 10 8 8 9 1 1 3 2 2 4 1 1 1 15 15 29 2 2 2 16 16 31 13 13 13 17 17 33 14 14 14 18 18 35 15 15 15 19 19 37 16 16 16 20 20 39 17 17 17 41 41 42 18 18 18 44 44 45 1 2 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 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 13 14 7 21 22 21 22 22 8 23 24 23 24 24 9 25 26 25 26 26 10 27 28 27 28 28 10 11 11 9 12 12 3 9 9 4 10 10 15 29 30 29 30 30 16 31 32 31 32 32 17 33 34 33 34 34 18 35 36 35 36 36 19 37 38 37 38 38 20 39 40 39 40 40 41 42 43 42 43 43 44 45 46 45 46 46 116.1864 116.188 110.255 109.1497 110.8714 109.6374 109.7291 107.1381 110.2548 109.1497 110.8713 109.6376 109.7292 107.1381 112.8948 111.2969 110.1044 107.6428 108.9966 105.6074 112.8947 111.2969 110.1046 107.6426 108.9965 105.6077 122.5573 113.9721 123.4702 122.5571 113.9729 123.4696 123.1635 111.9962 124.628 123.1643 111.9952 124.6291 107.2654 108.1664 107.9203 112.5747 112.3939 108.3375 107.2655 107.923 108.163 112.3931 112.575 108.3386 114.1733 107.596 108.9373 109.4542 109.6637 106.7384 114.1722 108.9391 107.5951 109.6652 109.4532 106.7381 112.3753 109.0048 109.1442 109.4989 109.7986 106.862 112.3749 109.0043 109.1458 109.4981 109.801 106.8596 111.2399 111.2966 110.9087 107.8758 107.7124 107.6405 111.2407 111.2962 110.9086 107.8758 107.712 107.6405 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 13 13 11 11 11 14 14 12 12 12 7 7 7 21 21 21 22 22 22 6 6 6 21 21 21 22 22 22 5 5 5 23 23 23 24 24 24 5 5 25 25 26 26 6 6 27 27 28 28 7 7 11 11 7 7 10 10 8 8 9 9 1 1 1 29 29 29 30 30 30 2 2 2 31 31 31 32 32 32 13 13 13 33 33 33 34 34 34 14 14 14 35 35 35 36 36 36 15 15 15 37 37 37 38 38 38 16 16 16 39 39 39 40 40 1 1 1 1 1 2 2 2 2 2 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 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 9 9 10 10 10 10 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 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 18 18 18 18 18 18 18 18 11 11 13 13 13 12 12 14 14 14 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 10 10 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 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 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 3 9 15 29 30 4 10 16 31 32 8 23 24 8 23 24 8 23 24 9 25 26 9 25 26 9 25 26 10 27 28 10 27 28 10 27 28 10 11 10 11 10 11 9 12 9 12 9 12 8 12 8 12 1 3 1 3 2 4 2 4 17 33 34 17 33 34 17 33 34 18 35 36 18 35 36 18 35 36 19 37 38 19 37 38 19 37 38 20 39 40 20 39 40 20 39 40 41 42 43 41 42 43 41 42 43 44 45 46 44 45 46 44 45 -3.6938 -178.6172 169.729 48.0557 -68.9523 -3.6757 -178.6097 169.7485 -68.9322 48.0766 -62.2531 58.2341 176.025 58.234 178.7212 -63.4878 176.025 -63.4878 54.3031 44.6472 165.828 -77.4162 -75.5466 45.6342 162.3901 167.0438 -71.7754 44.9804 44.6484 165.8288 -77.4149 -75.5454 45.635 162.3913 167.0448 -71.7748 44.9815 -10.7478 169.0266 -133.9799 45.7945 111.9361 -68.2894 -10.7491 169.0309 -133.981 45.7991 111.9349 -68.285 -6.9236 173.3174 173.3235 -6.4356 135.1183 -39.7169 -45.1096 140.0552 135.1348 -39.7112 -45.0874 140.0665 64.87 -173.4392 -58.0832 -176.262 -54.5711 60.7849 -53.5909 68.1 -176.544 64.8812 -58.0746 -173.4306 -53.5826 -176.5383 68.1056 -176.2547 60.7896 -54.5665 178.9293 57.3579 -59.0216 58.2676 -63.3039 -179.6834 -58.5129 179.9156 63.5361 178.9407 57.3707 -59.0064 -58.4989 179.9312 63.554 58.2815 -63.2884 -179.6656 -59.4833 -179.8128 60.3785 61.8059 -58.5237 -178.3324 178.84 58.5104 -61.2983 -59.4854 -179.8153 60.3764 61.8024 -58.5275 -178.3359 178.8344 58.5045 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 256.16879999999986 AuxInfo=1/0/N:19,20,17,18,15,16,5,6,7,8,13,14,9,10,11,12,3,4,1,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/CRV:13.3,14.3,15.3,16.3,17.1,18.1/rA:46OOO1O1CCCCC3C3C3C3CCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s6;s7;s8s9;s1s3s9;s2s4s10;s1;s2;s13;s14;s15;s16;s17;s18;s5;s5;s6;s6;s7;s7;s8;s8;s13;s13;s14;s14;s15;s15;s16;s16;s17;s17;s18;s18;s19;s19;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.383917 0.000000 2.261877 3.511566 0.000000 3.511585 2.261875 4.810778 0.000000 4.718385 4.888556 4.472031 5.225414 0.000000 4.888545 4.718394 5.225417 4.472021 1.533381 0.000000 3.402458 4.358991 3.129169 4.825711 1.535289 2.528380 0.000000 4.358984 3.402468 4.825709 3.129158 2.528380 1.535288 2.999056 0.000000 2.328349 2.952211 2.444402 3.469177 2.518799 2.856433 1.501597 2.505955 0.000000 2.952208 2.328355 3.469171 2.444402 2.856433 2.518798 2.505954 1.501596 1.342148 0.000000 1.370627 3.022226 1.208304 3.847930 3.854647 4.342269 2.512715 3.895931 1.496412 2.491286 0.000000 3.022225 1.370627 3.847916 1.208303 4.342272 3.854648 3.895932 2.512717 2.491286 1.496414 2.955899 0.000000 1.469969 4.207491 2.718368 4.460656 6.104129 6.355733 4.703533 5.786799 3.714314 4.341558 2.431780 4.128196 0.000000 4.207494 1.469971 4.460639 2.718363 6.355744 6.104136 5.786807 4.703541 4.341562 3.714319 4.128200 2.431780 4.635901 0.000000 2.360018 4.791139 4.166439 4.389697 6.996433 6.955567 5.710432 6.292237 4.640004 4.959194 3.643697 4.474858 1.522879 4.959416 0.000000 4.791168 2.360023 4.389704 4.166441 6.955590 6.996448 6.292262 5.710444 4.959214 4.640018 4.474886 3.643703 4.959448 1.522878 5.549227 0.000000 2.981537 4.191210 4.727284 3.565097 7.320081 7.051600 6.223480 6.098794 4.914978 4.839133 4.128695 3.926408 2.540533 4.003260 1.534826 4.782762 0.000000 4.191272 2.981553 3.565128 4.727318 7.051645 7.320121 6.098843 6.223514 4.839178 4.915016 3.926463 4.128724 4.003326 2.540535 4.782798 1.534825 4.340805 0.000000 4.347482 5.439797 6.232121 4.359763 8.513961 8.065235 7.496903 7.108972 6.227310 6.013573 5.573411 5.029968 3.892361 5.077647 2.531921 5.963435 1.525876 5.657525 0.000000 5.439875 4.347498 4.359822 6.232152 8.065293 8.514008 7.109038 7.496940 6.013630 6.227352 5.030041 5.573438 5.077738 3.892362 5.963496 2.531920 5.657543 1.525876 6.923633 0.000000 5.217512 4.791943 4.571793 5.513712 1.108298 2.175264 2.174819 2.782993 2.912146 3.140919 4.160784 4.512428 6.550000 6.236943 7.547415 6.676160 7.767845 6.871436 9.034093 7.760980 0.000000 5.497715 5.983306 5.222727 6.235945 1.106015 2.179851 2.175562 3.490984 3.458719 3.911704 4.676563 5.405857 6.839019 7.451260 7.736895 8.024102 8.192704 8.047909 9.354139 9.007660 1.770163 0.000000 4.791933 5.217520 5.513719 4.571789 2.175264 1.108297 2.782993 2.174819 3.140922 2.912148 4.512427 4.160787 6.236930 6.550005 6.676138 7.547431 6.871397 7.767888 7.760931 9.034145 3.093015 2.522798 0.000000 5.983296 5.497724 6.235948 5.222714 2.179850 1.106015 3.490984 2.175561 3.911703 3.458717 5.405854 4.676564 7.451249 6.839027 8.024078 7.736908 8.047862 8.192740 9.007599 9.354179 2.522797 2.497990 1.770163 0.000000 3.768823 4.752874 2.814375 5.611829 2.179809 3.481418 1.112363 3.917333 2.151028 3.310214 2.651178 4.579417 4.858745 6.136702 6.072572 6.380779 6.694016 6.025881 8.060269 6.831671 2.423354 2.587537 3.838533 4.329071 0.000000 3.394531 5.082745 3.577787 5.188524 2.183977 2.921445 1.112182 3.596530 2.136660 3.126629 2.868451 4.438848 4.630025 6.450337 5.509092 7.042530 6.212925 6.730600 7.382021 7.782484 3.082111 2.431587 2.741988 3.886136 1.777079 0.000000 4.752864 3.768829 5.611821 2.814356 3.481418 2.179808 3.917331 1.112362 3.310212 2.151026 4.579413 2.651177 6.136688 4.858748 6.380745 6.072577 6.025827 6.694045 6.831594 8.060297 3.838534 4.329071 2.423353 2.587538 4.911729 4.319311 0.000000 5.082742 3.394544 5.188522 3.577770 2.921449 2.183977 3.596534 1.112181 3.126631 2.136660 4.438850 2.868453 6.450334 4.630038 7.042507 5.509105 6.730549 6.212956 7.782413 7.382052 2.741992 3.886138 3.082110 2.431585 4.319319 4.391652 1.777078 0.000000 2.076059 5.105687 2.845851 5.429168 6.277383 6.715590 4.782433 6.372887 4.102079 4.972859 2.784390 5.015618 1.102734 5.645112 2.204021 5.844954 3.514436 4.755130 4.723525 5.627873 6.771348 6.872140 6.540658 7.820349 4.783130 4.556205 6.808233 7.075039 0.000000 2.099224 3.892753 2.525655 4.607862 6.451701 6.773918 5.090260 6.058906 3.997593 4.561140 2.606064 4.173018 1.103544 4.121183 2.215237 4.158552 2.751880 3.025296 4.190026 4.005589 6.723591 7.262845 6.819349 7.842195 5.109456 5.229417 6.474882 6.557119 1.804946 0.000000 3.892752 2.099225 4.607838 2.525670 6.773926 6.451708 6.058909 5.090271 4.561142 3.997600 4.173016 2.606070 4.121174 1.103543 4.158512 2.215237 3.025229 2.751882 4.005498 4.190027 6.819357 7.842202 6.723597 7.262854 6.474888 6.557116 5.109463 5.229432 5.197110 3.687559 0.000000 5.105681 2.076059 5.429151 2.845822 6.715598 6.277383 6.372890 4.782434 4.972858 4.102076 5.015617 2.784379 5.645104 1.102734 5.844909 2.204017 4.755051 3.514435 5.627759 4.723520 6.540670 7.820356 6.771345 6.872142 6.808245 7.075035 4.783124 4.556214 6.671122 5.197115 1.804943 0.000000 3.323435 5.756914 4.863033 5.438446 7.989210 8.017719 6.641344 7.392060 5.645990 6.043287 4.530338 5.545431 2.157382 5.786098 1.107788 6.218075 2.184169 5.292300 2.749679 6.293976 8.539728 8.685531 7.711588 9.094789 6.908418 6.383615 7.486361 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3.105458 2.827753 4.269348 4.269025 6.944132 8.001003 6.886659 7.486697 6.515753 6.691731 5.300851 5.492699 4.900765 3.389812 0.000000 4.668050 2.118850 5.751702 2.544052 6.729443 6.319122 6.345753 4.828342 4.924671 4.044281 4.973854 2.635579 5.326865 1.105245 5.694122 2.203755 4.761172 3.548479 5.818420 4.765691 6.532484 7.834339 6.771862 6.950779 6.730251 7.056241 4.794830 4.669878 6.316786 4.900353 1.792955 0.000000 3.389697 5.533409 4.835643 6.087117 8.198884 8.234119 6.837703 7.588938 5.775551 6.218112 4.556541 5.764514 2.143619 5.620439 1.109807 6.132210 2.182718 5.353880 2.797383 6.458079 8.694714 8.919571 7.915417 9.308409 7.031990 6.642258 7.645670 8.327927 2.479327 2.565770 4.769579 6.500075 0.000000 2.644792 5.162862 4.527184 5.211239 7.048093 6.911307 5.791657 6.400967 4.814422 5.198915 3.908354 4.970864 2.159438 5.566546 1.107511 6.432484 2.183713 5.943312 2.801681 7.266000 7.696298 7.714878 6.442929 7.959516 6.210550 5.451237 6.362895 7.278399 2.538406 3.101222 4.798590 6.307892 1.779391 0.000000 5.162219 2.644751 5.209619 4.527551 6.911123 7.048256 6.400377 5.792033 5.198372 4.814402 4.969754 3.908474 5.565341 2.159466 6.432241 1.107514 5.944293 2.183741 7.267464 2.801597 6.442847 7.959271 7.696349 7.715253 6.362048 7.277728 6.211116 5.451868 6.306013 4.796931 3.101236 2.538470 7.045260 7.229716 0.000000 5.533257 3.389682 6.086291 4.835755 8.234026 8.198954 7.588656 6.837871 6.217858 5.775537 5.763974 4.556570 5.619892 2.143609 6.132623 1.109805 5.355441 2.182710 6.460159 2.797479 7.915373 9.308286 8.694731 8.919744 7.645268 8.327604 7.032259 6.642529 6.499004 4.768491 2.565787 2.479290 6.599974 7.045962 1.779389 0.000000 3.407499 4.082265 5.188402 4.520771 8.048219 7.842484 6.944505 6.783896 5.536820 5.464942 4.607059 4.461143 2.808444 3.616446 2.177438 4.257803 1.110547 3.965486 2.181455 5.247006 8.335250 8.980748 7.747173 8.821153 7.255564 7.089791 6.707557 7.299081 3.811824 2.602401 2.581810 4.351240 2.528988 3.095120 5.292619 4.498746 0.000000 2.667985 3.562284 4.904132 3.242684 6.872849 6.439397 5.918477 5.421168 4.525730 4.268726 3.968299 3.371297 2.821713 3.529325 2.176024 4.678442 1.106197 4.730925 2.182073 6.214661 7.288303 7.786441 6.234763 7.383270 6.464227 5.989788 5.196210 6.073077 3.852580 3.132577 2.631043 4.055076 3.092703 2.532374 5.534668 5.128772 1.780358 0.000000 4.082053 3.407819 4.521025 5.188244 7.843077 8.048613 6.784333 6.944899 5.465270 5.537146 4.461248 4.607204 3.615639 2.808520 4.257159 2.177434 3.965597 1.110542 5.246990 2.181443 7.748024 8.821730 8.335396 8.981227 6.708169 7.299276 7.255743 7.090425 4.350111 2.580786 2.602411 3.811837 4.497656 5.292084 3.095134 2.528864 3.065821 4.143970 0.000000 3.560741 2.668024 3.241495 4.903854 6.439729 6.873062 5.421028 5.918797 4.268416 4.525741 3.370179 3.968183 3.526861 2.821604 4.676419 2.176046 4.729985 1.106191 6.213739 2.182101 6.235558 7.383543 7.288114 7.786878 5.196213 6.072517 6.464348 5.990582 4.052086 2.628377 3.132274 3.852531 5.126331 5.532695 2.532545 3.092706 4.143026 4.636818 1.780321 0.000000 5.037854 6.423526 6.992108 6.274864 9.703844 9.357969 8.562588 8.475783 7.309365 7.300686 6.400923 6.463615 4.259309 6.044930 2.832694 6.784902 2.200886 6.449575 1.106806 7.611461 10.201358 10.515677 8.991232 10.330550 8.978447 8.414793 8.206994 9.176132 4.938880 4.501488 4.963133 6.614303 2.609073 3.162040 7.829914 6.913705 2.549131 3.109896 5.464507 6.584841 0.000000 5.087221 5.794158 7.259859 5.176436 9.337625 8.762202 8.414741 7.706835 7.048927 6.708014 6.438076 5.665260 4.772616 5.252932 3.530381 6.232943 2.200320 6.317134 1.105114 7.606832 9.776421 10.228849 8.461051 9.633929 8.971115 8.394649 7.272524 8.321085 5.687812 4.955027 4.174609 5.557502 3.812515 3.818090 7.240329 6.270326 2.527988 2.530357 5.461986 6.553210 1.788070 0.000000 4.567947 6.099791 6.783282 5.416991 8.748496 8.211008 7.750068 7.422115 6.572176 6.447355 5.955395 5.757599 4.269316 5.986300 2.834424 7.051301 2.196264 6.943880 1.106233 8.306513 9.359870 9.511424 7.719895 9.126018 8.349388 7.508712 7.016783 8.226093 4.973510 4.828242 4.982238 6.414865 3.164972 2.616968 7.989946 7.333925 3.107466 2.542917 6.133009 6.903969 1.787115 1.784930 0.000000 6.422754 5.037906 6.273676 6.992172 9.357965 9.703958 8.475411 8.562857 7.300331 7.309365 6.462750 6.400964 6.043445 4.259392 6.784061 2.832725 6.450132 2.200900 7.612193 1.106808 8.991475 10.330478 10.201249 10.515984 8.206545 9.175531 8.978729 8.415365 6.612017 4.961453 4.501633 4.938950 6.912276 7.829131 3.161919 2.609207 5.465095 6.586341 2.549110 3.109923 7.743017 7.662544 8.569432 0.000000 5.792785 5.087242 5.175136 7.259688 8.762354 9.337741 7.706498 8.415003 6.707609 7.048882 5.664180 6.437998 5.250564 4.772607 6.230850 3.530381 6.316460 2.200317 7.606017 1.105113 8.461649 9.634007 9.776148 10.229210 7.272255 8.320333 8.971248 8.395372 5.554217 4.172347 4.954995 5.687811 6.267540 7.238137 3.818027 3.812587 5.461598 6.553537 2.527994 2.530350 7.660969 7.909151 8.474052 1.788071 0.000000 6.098269 4.567769 5.414744 6.783253 8.210698 8.748422 7.421208 7.750241 6.446487 6.571905 5.755933 5.955237 5.983907 4.269243 7.049610 2.834405 6.943745 2.196265 8.306556 1.106233 7.719951 9.125605 9.359482 9.511653 7.015697 8.224871 8.349613 7.509353 6.411468 4.979759 4.828170 4.973479 7.331623 7.988237 2.616853 3.165106 6.132944 6.904868 3.107456 2.542986 8.568718 8.475011 9.134825 1.787113 1.784930 0.000000 0.3569404 0.2226669 0.1974718 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= 243 243 243 244 244 MxSgAt= 46 MxSgA2= 46. 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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= 14878 NPrTT= 74418 LenC2= 13276 LenP2D= 41122. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 252 RedAO= T EigKep= 9.55D-04 NBF= 252 NBsUse= 252 1.00D-06 EigRej= -1.00D+00 NBFU= 252 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= 241 241 242 243 243 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -924.466331254846 -924.451582587685 0.014748667161 -924.809157387724 -0.357574800039 -924.612815467772 0.196341919952 -924.950383384300 -0.337567916528 -924.990474673066 -0.040091288766 -924.990825607792 -0.000350934726 -924.990887758916 -0.000062151124 -924.990891799631 -0.000004040715 -924.991154398253 -0.000262598622 -924.991156855731 -0.000002457478 -924.991156247430 0.000000608301 -924.991156997637 -0.000000750207 -924.991157030449 -0.000000032812 -924.991157031343 -0.000000000894 -924.991157031386 -0.000000000043 -924.991157031427 -0.000000000041 -924.991157031 17 9.213513753957e+02 -5.584229286763e+03 2.025032222951e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 212178 IEndB= 212178 NGot= 402653184 MDV= 402521403 LenX= 402521403 LenY= 402457458 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. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. -1.71102800e-01 2.16697486e-05 -7.73296709e-06 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 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.001055076 0.011890569 0.014279140 -0.001055530 -0.011889334 -0.014280481 0.013949026 -0.045764548 -0.051519227 0.013954242 0.045764200 0.051520695 -0.007080388 -0.002089738 -0.004425554 -0.007081079 0.002089889 0.004425353 -0.008409163 -0.002394436 -0.008854942 -0.008408147 0.002395534 0.008855081 0.002316920 -0.001988259 -0.019002825 0.002319203 0.001988018 0.019002643 -0.020267616 0.030604543 0.044800335 -0.020273162 -0.030604854 -0.044800696 0.000688170 0.006429323 -0.003360564 0.000686275 -0.006430049 0.003360785 0.004185498 0.003094724 -0.004152945 0.004184903 -0.003095054 0.004153305 -0.006782369 -0.002759970 0.003618238 -0.006782440 0.002760698 -0.003619034 0.001070719 -0.000322489 0.005990288 0.001070578 0.000321862 -0.005989969 0.001244258 0.000093696 0.001077461 -0.000130742 0.000457380 -0.000321332 0.001244294 -0.000093470 -0.001077366 -0.000130682 -0.000457152 0.000321323 0.001274203 0.002069057 0.002506224 -0.000007456 -0.000936703 -0.000206105 0.001273949 -0.002069123 -0.002506094 -0.000007496 0.000936477 0.000206143 0.003348395 0.000002788 -0.002966541 0.002927740 0.001444559 -0.001510272 0.002927834 -0.001444386 0.001510096 0.003348252 -0.000003106 0.002967007 0.002048262 -0.000944526 -0.000080843 0.000727377 -0.002383099 -0.001531988 0.000727826 0.002383200 0.001531912 0.002048350 0.000944051 0.000080703 0.002282684 -0.001032240 -0.001920926 0.004008910 0.002848128 -0.002417703 0.002282677 0.001032187 0.001920752 0.004008791 -0.002848367 0.002418146 0.006027338 0.002316528 -0.004160009 0.001997510 -0.001716333 0.005556456 -0.004363623 0.004491492 0.000213846 0.006026854 -0.002316991 0.004159969 0.001997958 0.001716037 -0.005556807 -0.004364028 -0.004490714 -0.000213679 0.051520695 0.011846751 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -925.011459833478 -925.011474113625 -0.000014280147 -925.011474001669 0.000000111956 -925.011474144333 -0.000000142664 -925.011474158946 -0.000000014613 -925.011474160237 -0.000000001291 -925.011474160287 -0.000000000050 -925.011474160315 -0.000000000029 -925.011474160 8 9.203855511975e+02 -5.504140496345e+03 1.985624787914e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 212178 IEndB= 212178 NGot= 402653184 MDV= 402521403 LenX= 402521403 LenY= 402457458 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. Fock matrices will be formed incrementally for 20 cycles. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.801015 -18.801011 -18.756628 -18.756626 -10.025672 -10.025645 -9.950630 -9.950620 -9.931996 -9.931526 -9.905297 -9.905293 -9.899223 -9.899217 -9.898400 -9.898315 -9.890808 -9.890800 -9.880891 -9.880887 -1.004454 -0.999752 -0.925216 -0.924354 -0.778266 -0.727644 -0.725208 -0.700574 -0.691033 -0.663823 -0.658940 -0.601902 -0.591668 -0.565258 -0.563961 -0.532767 -0.527752 -0.509046 -0.504330 -0.479589 -0.475206 -0.433559 -0.424553 -0.417118 -0.410723 -0.406272 -0.403390 -0.393934 -0.393858 -0.387010 -0.383540 -0.376907 -0.367590 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9 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 10 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 11 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 12 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 13 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 14 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 15 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 16 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 17 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 18 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 19 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 20 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 21 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 39 H 1S 2S 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 43 H 1S 2S 44 H 1S 2S 45 H 1S 2S 46 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|21 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|39 H 1S|2S|40 H 1S|2S|41 H 1S|2S|42 H 1S|2S|43 H 1S|2S|44 H 1S|2S|45 H 1S|2S|46 H 1S|2S 1.13242 0.85924 0.95105 0.90723 1.03574 1.17565 1.19999 0.22461 0.38226 0.40225 1.13242 0.85924 0.95105 0.90722 1.03581 1.17563 1.19995 0.22469 0.38221 0.40223 1.13253 0.85914 0.97513 0.86349 1.24703 1.08450 1.04273 0.42961 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H H H H H H H H H H H H H H H H H H H H -0.270441 -0.270453 -0.248983 -0.248970 -0.412797 -0.412796 -0.515120 -0.515105 0.126277 0.126226 0.169997 0.169983 -0.276943 -0.276871 -0.366601 -0.366623 -0.335743 -0.335734 -0.691043 -0.691056 0.208199 0.214863 0.208198 0.214863 0.263278 0.225107 0.263272 0.225107 0.236947 0.224911 0.224878 0.236923 0.188925 0.208621 0.208629 0.188926 0.173737 0.239943 0.173737 0.239955 0.202882 0.220415 0.213588 0.202883 0.220412 0.213596 0.00000 1.24759930e-01 -7.22868438e-05 -1.01727725e-04 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.3171 -0.0002 -0.0003 0.3171 -103.3438 -116.9138 -134.0492 -0.0033 -0.0002 -7.4994 14.7584 1.1885 -15.9469 -0.0033 -0.0002 -7.4994 -49.0731 0.0171 -0.0257 0.2892 0.0076 -0.0042 1.0463 0.0154 0.0063 -5.0768 -4743.7484 -2512.1028 -1710.1951 0.0059 0.1156 -0.0150 -63.8872 0.1460 -77.8700 -1228.1634 -1031.8250 -663.7843 -49.4701 0.0602 0.0063 0 -925.0114742 5.051E-9 8.396E-6 10.972536,0.8835949,-11.856131,-0.0024244,-0.0001594,-5.5756332 C01 [X(C16H26O4)] 0.1247599 -0.0000723 -0.0001017 @ -0.000003562 -0.000015482 0.000017650 -0.000005874 0.000008049 -0.000016967 0.000003182 -0.000003971 0.000008254 0.000000096 -0.000005439 -0.000004585 0.000003779 0.000006863 0.000004324 0.000004527 -0.000007633 -0.000004887 -0.000017629 -0.000002916 0.000003470 -0.000016298 0.000006715 -0.000002014 0.000012753 0.000006344 0.000029908 0.000013215 -0.000013865 -0.000027941 0.000003145 0.000001865 -0.000026708 0.000009882 0.000017376 0.000012828 0.000007905 0.000010500 -0.000022011 0.000003036 -0.000009273 0.000019713 -0.000020174 -0.000013079 -0.000009896 -0.000018818 0.000016153 0.000010223 0.000005168 0.000013524 0.000011159 0.000010019 -0.000017197 -0.000006191 -0.000000366 -0.000007071 -0.000004580 -0.000002673 0.000006888 0.000003987 -0.000000621 -0.000000857 0.000001137 0.000000323 -0.000002180 -0.000002994 -0.000000928 0.000000946 -0.000000754 0.000000288 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AuxInfo=1/0/N:19,20,17,18,15,16,5,6,7,8,13,14,9,10,11,12,3,4,1,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/CRV:13.3,14.3,15.3,16.3,17.1,18.1/rA:46OOO1O1CCCCC3C3C3C3CCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s6;s7;s8s9;s1s3s9;s2s4s10;s1;s2;s13;s14;s15;s16;s17;s18;s5;s5;s6;s6;s7;s7;s8;s8;s13;s13;s14;s14;s15;s15;s16;s16;s17;s17;s18;s18;s19;s19;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2080 CBGUSER 000289821 EM64L-G09RevD.01 13-Apr-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 132 C1[X(C16H26O4)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 256.16879999999986 0 1 AuxInfo=1/0/N:19,20,17,18,15,16,5,6,7,8,13,14,9,10,11,12,3,4,1,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/CRV:13.3,14.3,15.3,16.3,17.1,18.1/rA:46OOO1O1CCCCC3C3C3C3CCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s6;s7;s8s9;s1s3s9;s2s4s10;s1;s2;s13;s14;s15;s16;s17;s18;s5;s5;s6;s6;s7;s7;s8;s8;s13;s13;s14;s14;s15;s15;s16;s16;s17;s17;s18;s18;s19;s19;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-6361.inp" -scrdir="/scratch/" chk=000289821-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 000289821 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 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (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| 0.000138 0.000041 0.085979 0.025535 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.030535e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1673.1186805369 252 584 252 77 77 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 46 46 46 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 256.16879999999986 AuxInfo=1/0/N:19,20,17,18,15,16,5,6,7,8,13,14,9,10,11,12,3,4,1,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/CRV:13.3,14.3,15.3,16.3,17.1,18.1/rA:46OOO1O1CCCCC3C3C3C3CCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s6;s7;s8s9;s1s3s9;s2s4s10;s1;s2;s13;s14;s15;s16;s17;s18;s5;s5;s6;s6;s7;s7;s8;s8;s13;s13;s14;s14;s15;s15;s16;s16;s17;s17;s18;s18;s19;s19;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.934150 0.000000 2.333401 3.695902 0.000000 3.696351 2.333407 5.262245 0.000000 4.892108 4.989328 4.404859 5.200890 0.000000 4.989351 4.892145 5.200866 4.404911 1.545496 0.000000 3.623435 4.363859 2.967547 4.941511 1.542374 2.533371 0.000000 4.363999 3.623535 4.941453 2.967557 2.533368 1.542375 3.011312 0.000000 2.399634 2.931751 2.441983 3.603425 2.554481 2.881701 1.522808 2.536533 0.000000 2.931914 2.399623 3.603376 2.441999 2.881705 2.554480 2.536537 1.522806 1.368350 0.000000 1.395476 2.915784 1.256567 4.112929 3.895352 4.357034 2.533298 3.934556 1.498239 2.525548 0.000000 2.916127 1.395476 4.112844 1.256565 4.357031 3.895371 3.934556 2.533313 2.525547 1.498245 3.024166 0.000000 1.495759 3.844788 2.759312 4.838104 6.249798 6.461784 4.865737 5.849112 3.782420 4.389944 2.454968 4.162611 0.000000 3.845011 1.495759 4.837737 2.759352 6.461743 6.249836 5.849007 4.865814 4.389850 3.782426 4.162404 2.454989 4.360862 0.000000 2.435636 4.640289 4.237227 5.041192 7.240059 7.186111 5.947224 6.508141 4.814862 5.168192 3.725423 4.728546 1.528903 4.862387 0.000000 4.639902 2.435638 5.040204 4.237344 7.186066 7.240171 6.507834 5.947460 5.167887 4.814861 4.727847 3.725466 4.861528 1.528905 5.571700 0.000000 3.018095 4.265984 5.094320 4.305490 7.647208 7.351111 6.547017 6.405344 5.205175 5.156892 4.368105 4.317573 2.581288 4.100654 1.545893 4.988129 0.000000 4.265131 3.018199 4.304663 5.094202 7.351352 7.647415 6.405247 6.547321 5.156714 5.205248 4.316868 4.368107 4.099060 2.581277 4.987039 1.545900 4.757097 0.000000 4.418035 5.652470 6.555260 5.257989 8.881079 8.428673 7.838366 7.505136 6.547143 6.407363 5.804208 5.542281 3.946686 5.335130 2.566590 6.268127 1.543167 6.126491 0.000000 5.651298 4.418023 5.256524 6.555200 8.428679 8.881163 7.504680 7.838617 6.406884 6.547070 5.541152 5.804155 5.333104 3.946683 6.266651 2.566593 6.126421 1.543170 7.428181 0.000000 5.328170 4.878422 4.601945 5.354209 1.108074 2.177137 2.180703 2.750040 2.934676 3.111075 4.220514 4.443842 6.652934 6.313091 7.748916 6.876358 8.069638 7.117314 9.381419 8.070090 0.000000 5.720465 6.072725 5.072069 6.241831 1.105608 2.197375 2.180043 3.501570 3.490964 3.945903 4.704749 5.434917 7.014612 7.552569 7.998775 8.248441 8.523752 8.338432 9.718310 9.367235 1.781070 0.000000 4.878388 5.328150 5.354243 4.602060 2.177139 1.108075 2.750044 2.180705 3.111063 2.934666 4.443864 4.220551 6.313133 6.652968 6.876290 7.748918 7.116766 8.069570 8.069737 9.381198 3.089728 2.549661 0.000000 6.072764 5.720556 6.241790 5.072098 2.197373 1.105607 3.501569 2.180045 3.945899 3.490964 5.434915 4.704767 7.552617 7.014682 8.248524 7.999021 8.338237 8.524127 9.367304 9.718626 2.549658 2.516589 1.781070 0.000000 3.962568 4.669831 2.592449 5.681123 2.201022 3.494791 1.106960 3.914792 2.136846 3.296204 2.656951 4.553340 4.986755 6.128563 6.251198 6.538510 6.973352 6.251599 8.347000 7.173545 2.452595 2.616660 3.815341 4.359512 0.000000 3.706211 5.083349 3.276025 5.429251 2.188455 2.928828 1.110412 3.627631 2.157036 3.194516 2.850980 4.542578 4.849694 6.522441 5.791198 7.264690 6.550402 7.060796 7.728078 8.206104 3.086203 2.431601 2.714988 3.887371 1.766291 0.000000 4.670005 3.962691 5.681103 2.592507 3.494791 2.201024 3.914800 1.106961 3.296203 2.136841 4.553365 2.656994 6.128729 4.986894 6.538927 6.251504 6.251642 6.973545 7.174039 8.347211 3.815337 4.359515 2.452602 2.616659 4.892373 4.341846 0.000000 5.083520 3.706393 5.429122 3.275941 2.928817 2.188458 3.627615 1.110412 3.194504 2.157033 4.542544 2.850959 6.522533 4.849782 7.265088 5.791616 7.061167 6.551040 8.206873 7.728728 2.714971 3.887366 3.086208 2.431613 4.341817 4.429971 1.766294 0.000000 2.118896 4.667569 2.543698 5.752135 6.319093 6.729614 4.828276 6.345926 4.044274 4.924782 2.635472 4.974018 1.105247 5.326557 2.203750 5.692738 3.548486 4.759037 4.765683 5.815550 6.771704 6.950750 6.532794 7.834504 4.794546 4.669962 6.730578 7.056288 0.000000 2.116435 3.556342 2.865325 4.961667 6.653645 6.935546 5.313279 6.177961 4.145676 4.663720 2.782325 4.230984 1.106231 3.845050 2.202267 4.052463 2.827840 3.103555 4.269029 4.267195 6.886701 7.486767 6.944059 8.000929 5.301013 5.492805 6.515558 6.691577 1.792945 0.000000 3.556947 2.116471 4.961935 2.864999 6.935610 6.653611 6.178101 5.313197 4.663853 4.145683 4.231241 2.782235 3.845637 1.106232 4.053812 2.202261 3.105458 2.827753 4.269348 4.269025 6.944132 8.001003 6.886659 7.486698 6.515753 6.691731 5.300851 5.492699 4.900764 3.389812 0.000000 4.668049 2.118850 5.751702 2.544052 6.729443 6.319123 6.345753 4.828343 4.924671 4.044281 4.973853 2.635579 5.326865 1.105245 5.694121 2.203754 4.761171 3.548478 5.818420 4.765691 6.532484 7.834339 6.771862 6.950780 6.730251 7.056241 4.794830 4.669878 6.316785 4.900353 1.792955 0.000000 3.389697 5.533409 4.835644 6.087118 8.198884 8.234119 6.837703 7.588939 5.775552 6.218112 4.556541 5.764515 2.143620 5.620439 1.109807 6.132210 2.182718 5.353880 2.797383 6.458079 8.694714 8.919572 7.915417 9.308410 7.031990 6.642258 7.645671 8.327928 2.479327 2.565770 4.769579 6.500075 0.000000 2.644792 5.162863 4.527184 5.211240 7.048093 6.911308 5.791657 6.400967 4.814423 5.198915 3.908354 4.970864 2.159439 5.566546 1.107511 6.432485 2.183712 5.943311 2.801681 7.266000 7.696298 7.714878 6.442929 7.959516 6.210550 5.451238 6.362896 7.278399 2.538406 3.101222 4.798590 6.307892 1.779390 0.000000 5.162219 2.644750 5.209620 4.527551 6.911122 7.048256 6.400376 5.792034 5.198372 4.814401 4.969754 3.908475 5.565341 2.159466 6.432241 1.107514 5.944294 2.183740 7.267465 2.801598 6.442847 7.959271 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5.989788 5.196210 6.073077 3.852580 3.132577 2.631043 4.055076 3.092703 2.532374 5.534668 5.128772 1.780358 0.000000 4.082053 3.407820 4.521026 5.188244 7.843077 8.048614 6.784334 6.944899 5.465271 5.537146 4.461249 4.607205 3.615639 2.808520 4.257160 2.177434 3.965598 1.110542 5.246990 2.181443 7.748024 8.821731 8.335396 8.981228 6.708170 7.299277 7.255744 7.090425 4.350111 2.580787 2.602411 3.811837 4.497657 5.292085 3.095134 2.528863 3.065820 4.143970 0.000000 3.560741 2.668024 3.241495 4.903854 6.439729 6.873062 5.421028 5.918797 4.268416 4.525740 3.370179 3.968183 3.526861 2.821604 4.676419 2.176046 4.729986 1.106191 6.213739 2.182101 6.235559 7.383544 7.288115 7.786879 5.196213 6.072517 6.464348 5.990583 4.052085 2.628376 3.132273 3.852531 5.126331 5.532695 2.532545 3.092706 4.143025 4.636818 1.780321 0.000000 5.037853 6.423526 6.992108 6.274864 9.703843 9.357969 8.562587 8.475783 7.309364 7.300686 6.400923 6.463614 4.259309 6.044930 2.832694 6.784902 2.200886 6.449574 1.106805 7.611460 10.201357 10.515677 8.991232 10.330550 8.978447 8.414792 8.206994 9.176132 4.938879 4.501487 4.963132 6.614302 2.609072 3.162039 7.829914 6.913705 2.549131 3.109896 5.464507 6.584841 0.000000 5.087221 5.794159 7.259860 5.176436 9.337625 8.762203 8.414741 7.706835 7.048928 6.708014 6.438076 5.665260 4.772617 5.252931 3.530380 6.232943 2.200320 6.317133 1.105114 7.606832 9.776421 10.228850 8.461051 9.633929 8.971116 8.394649 7.272524 8.321085 5.687812 4.955027 4.174609 5.557502 3.812515 3.818090 7.240329 6.270326 2.527988 2.530357 5.461986 6.553210 1.788070 0.000000 4.567947 6.099792 6.783283 5.416992 8.748496 8.211008 7.750068 7.422115 6.572176 6.447355 5.955395 5.757599 4.269316 5.986300 2.834424 7.051302 2.196264 6.943880 1.106233 8.306513 9.359870 9.511425 7.719895 9.126018 8.349388 7.508712 7.016783 8.226093 4.973510 4.828242 4.982238 6.414865 3.164972 2.616968 7.989947 7.333926 3.107466 2.542917 6.133010 6.903969 1.787115 1.784931 0.000000 6.422754 5.037907 6.273676 6.992172 9.357965 9.703959 8.475411 8.562858 7.300331 7.309364 6.462751 6.400964 6.043445 4.259392 6.784061 2.832725 6.450133 2.200901 7.612193 1.106808 8.991475 10.330478 10.201249 10.515984 8.206545 9.175531 8.978728 8.415365 6.612017 4.961453 4.501633 4.938949 6.912276 7.829132 3.161919 2.609207 5.465095 6.586341 2.549109 3.109923 7.743017 7.662544 8.569432 0.000000 5.792785 5.087242 5.175136 7.259688 8.762354 9.337741 7.706497 8.415003 6.707609 7.048881 5.664180 6.437998 5.250564 4.772607 6.230849 3.530381 6.316461 2.200318 7.606017 1.105113 8.461648 9.634007 9.776147 10.229210 7.272255 8.320332 8.971248 8.395372 5.554217 4.172347 4.954995 5.687810 6.267540 7.238137 3.818027 3.812587 5.461598 6.553537 2.527994 2.530349 7.660969 7.909150 8.474052 1.788072 0.000000 6.098269 4.567769 5.414745 6.783253 8.210698 8.748423 7.421208 7.750242 6.446488 6.571905 5.755934 5.955238 5.983908 4.269243 7.049610 2.834405 6.943746 2.196266 8.306557 1.106234 7.719951 9.125606 9.359482 9.511654 7.015698 8.224871 8.349613 7.509354 6.411468 4.979760 4.828171 4.973479 7.331623 7.988237 2.616853 3.165106 6.132944 6.904869 3.107456 2.542986 8.568718 8.475011 9.134826 1.787113 1.784930 0.000000 C16H26O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 256.16879999999986 AuxInfo=1/0/N:19,20,17,18,15,16,5,6,7,8,13,14,9,10,11,12,3,4,1,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/CRV:13.3,14.3,15.3,16.3,17.1,18.1/rA:46OOO1O1CCCCC3C3C3C3CCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s6;s7;s8s9;s1s3s9;s2s4s10;s1;s2;s13;s14;s15;s16;s17;s18;s5;s5;s6;s6;s7;s7;s8;s8;s13;s13;s14;s14;s15;s15;s16;s16;s17;s17;s18;s18;s19;s19;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3569404 0.2226669 0.1974718 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= 14878 NPrTT= 74418 LenC2= 13276 LenP2D= 41122. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 252 RedAO= T EigKep= 9.55D-04 NBF= 252 NBsUse= 252 1.00D-06 EigRej= -1.00D+00 NBFU= 252 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= 241 241 243 243 243 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -924.493870539597 -924.385382299484 0.108488240112 -924.755046036871 -0.369663737386 -924.624273928746 0.130772108125 -924.965188195381 -0.340914266635 -925.010778223461 -0.045590028080 -925.011277363275 -0.000499139814 -925.011433076470 -0.000155713195 -925.011441645788 -0.000008569318 -925.011488025561 -0.000046379773 -925.011489432696 -0.000001407135 -925.011488503613 0.000000929082 -925.011489801651 -0.000001298038 -925.011489878358 -0.000000076707 -925.011489881122 -0.000000002764 -925.011489881204 -0.000000000082 -925.011489881199 0.000000000005 -925.011489881240 -0.000000000041 -925.011489881 18 9.203855013358e+02 -5.504140243822e+03 1.985624572068e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 212602 IEndB= 212602 NGot= 402653184 MDV= 402520979 LenX= 402520979 LenY= 402457034 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. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 46. Will process 47 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111 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= 402652468 using IRadAn= 2. Generate precomputed XC quadrature information. Solving linear equations simultaneously, MaxMat= 0. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 800000000 NMat= 141 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 141 NMatS0= 141 NMatT0= 0 NMatD0= 141 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 138 vectors produced by pass 0 Test12= 1.35D-14 1.00D-09 XBig12= 3.39D+02 9.10D+00. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 1.35D-14 1.00D-09 XBig12= 1.30D+02 2.55D+00. 138 vectors produced by pass 2 Test12= 1.35D-14 1.00D-09 XBig12= 3.20D-01 4.74D-02. 138 vectors produced by pass 3 Test12= 1.35D-14 1.00D-09 XBig12= 9.01D-05 8.61D-04. 65 vectors produced by pass 4 Test12= 1.35D-14 1.00D-09 XBig12= 5.47D-09 6.56D-06. 3 vectors produced by pass 5 Test12= 1.35D-14 1.00D-09 XBig12= 3.25D-13 3.62D-08. 1 vectors produced by pass 6 Test12= 1.35D-14 1.00D-09 XBig12= 3.37D-16 1.52D-09. InvSVY: IOpt=1 It= 1 EMax= 4.26D-14 Solved reduced A of dimension 621 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 186.33 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 208.808 -0.007 162.452 -0.002 3.200 187.722 291.757 -0.010 258.718 -0.009 22.423 379.755 (Enter /mnt/data/applications/G09/g09/l716.exe) PT6250.200S 2018-04-13T03:41:48.000+02:00 -18.80102 -18.80101 -18.75664 -18.75663 -10.02568 -10.02565 -9.95063 -9.95062 -9.93200 -9.93153 -9.90530 -9.90529 -9.89922 -9.89921 -9.89840 -9.89832 -9.89080 -9.89080 -9.88089 -9.88089 -1.00446 -0.99976 -0.92522 -0.92436 -0.77827 -0.72764 -0.72521 -0.70058 -0.69103 -0.66382 -0.65894 -0.60190 -0.59167 -0.56526 -0.56396 -0.53277 -0.52775 -0.50904 -0.50433 -0.47959 -0.47521 -0.43356 -0.42455 -0.41712 -0.41072 -0.40628 -0.40339 -0.39393 -0.39386 -0.38701 -0.38354 -0.37691 -0.36759 -0.36701 -0.35788 -0.35529 -0.34287 -0.33808 -0.33521 -0.32746 -0.32552 -0.31602 -0.31043 -0.29826 -0.29518 -0.29125 -0.28785 -0.28714 -0.28621 -0.28274 -0.27983 -0.27823 -0.25720 -0.24506 -0.23455 -0.22811 -0.21656 -0.08678 -0.03614 0.01248 0.05408 0.06174 0.06923 0.08084 0.09111 0.09394 0.09642 0.10389 0.10920 0.11463 0.11726 0.12342 0.13593 0.13713 0.13892 0.14414 0.15184 0.15533 0.15713 0.15891 0.16322 0.16573 0.16916 0.16917 0.17963 0.18120 0.18806 0.18903 0.19197 0.19276 0.19612 0.19867 0.20130 0.21147 0.21680 0.21931 0.22066 0.22069 0.23321 0.23493 0.23874 0.24858 0.26160 0.26398 0.26720 0.27707 0.27865 0.28205 0.28524 0.28907 0.29403 0.29560 0.30891 0.31480 0.31625 0.32409 0.32855 0.33517 0.34060 0.34231 0.35906 0.36264 0.36742 0.37228 0.37468 0.37838 0.38261 0.39537 0.39879 0.41309 0.42915 0.43260 0.43878 0.44476 0.45152 0.45800 0.46273 0.47796 0.47987 0.49167 0.49783 0.49947 0.51544 0.52093 0.52412 0.54394 0.54897 0.56374 0.56434 0.58900 0.60323 0.62304 0.66749 0.70176 0.70988 0.73164 0.74537 0.75441 0.78654 0.81429 0.82502 0.85443 0.86591 0.87873 0.89191 0.89736 0.89997 0.93439 0.93560 0.94737 0.95521 0.96308 0.96440 0.97102 0.98769 0.99302 1.00475 1.03385 1.03578 1.05208 1.05930 1.07871 1.08046 1.08215 1.09409 1.11112 1.11666 1.11875 1.12198 1.13323 1.14441 1.14569 1.15243 1.18658 1.18935 1.19859 1.21306 1.24385 1.25424 1.26996 1.27013 1.28828 1.30623 1.37102 1.40800 1.41691 1.42826 1.46096 1.69738 1.72146 1.73356 1.83610 22.33731 22.48202 22.49461 22.54923 22.55762 22.57896 22.57990 22.61334 22.61746 22.63923 22.64455 22.66998 22.67439 22.67565 22.67579 22.76989 41.51075 41.52146 41.55558 41.59006 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 O O O O C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.270409 -0.270421 -0.248945 -0.248933 -0.412894 -0.412893 -0.514987 -0.514971 0.126293 0.126240 0.169898 0.169885 -0.276912 -0.276841 -0.366604 -0.366623 -0.335714 -0.335706 -0.691033 -0.691045 0.208211 0.214885 0.208210 0.214886 0.263255 0.225081 0.263249 0.225080 0.236936 0.224893 0.224861 0.236912 0.188923 0.208612 0.208618 0.188924 0.173712 0.239946 0.173712 0.239958 0.202882 0.220414 0.213577 0.202883 0.220411 0.213585 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 O O O O C C C C C C C C C C C C C C C C -0.270409 -0.270421 -0.248945 -0.248933 0.010202 0.010202 -0.026651 -0.026643 0.126293 0.126240 0.169898 0.169885 0.184917 0.184932 0.030930 0.030920 0.077945 0.077964 -0.054160 -0.054166 0.00000 1.24564313e-01 -7.40981170e-05 -8.64738353e-05 2.08808460e+02 -6.97738554e-03 1.62451619e+02 -2.34950104e-03 3.19959811e+00 1.87721678e+02 -12.3216 -8.1573 -0.0006 -0.0001 0.0004 4.1169 24.3288 24.4585 33.3350 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 23.9105 24.3023 32.9863 44.2368 50.7431 64.7734 68.8676 85.4729 91.4316 96.3600 98.3757 133.5658 149.0426 164.5874 218.2667 222.5665 229.1680 231.5720 248.1382 256.3024 258.2314 278.0967 287.6772 290.7569 336.1769 355.8110 363.3162 457.5572 476.9899 480.3738 527.0066 563.5048 567.4265 688.2858 718.4813 723.6439 734.3328 737.0252 770.6895 799.0136 808.3977 827.6976 828.5127 834.1061 869.2548 870.4059 902.3156 904.4475 906.7122 952.5528 952.5620 971.2438 1010.4392 1018.3859 1029.3730 1032.1394 1069.5875 1072.1887 1085.2196 1107.8669 1122.7619 1125.7900 1126.1158 1134.2030 1137.1736 1139.7925 1171.3916 1207.9579 1211.2943 1215.4180 1218.1500 1242.3527 1244.6083 1246.4221 1269.7612 1286.0131 1286.3078 1305.9410 1306.0360 1334.1564 1341.3775 1345.4678 1346.3427 1356.3698 1360.1339 1365.0468 1366.0957 1393.1201 1393.1379 1447.0802 1450.8533 1450.9267 1453.4729 1469.5337 1472.1233 1473.6983 1475.3762 1476.0001 1477.0936 1478.9054 1479.5501 1487.2216 1487.2661 1598.7633 1602.6051 1660.0854 2962.6732 2963.2921 2963.4186 2963.5352 2973.4746 2973.5400 2977.7548 2978.2300 2985.6837 2987.5483 3001.5493 3002.0294 3025.2426 3025.2968 3026.6987 3028.3175 3045.1839 3045.5610 3049.6414 3057.1052 3067.8692 3068.8405 3072.3358 3073.1308 3075.5624 3075.6644 3.4652 6.1964 3.7715 4.3995 3.9100 2.4243 2.3377 2.6728 2.0472 2.7708 3.5126 3.1952 2.7040 3.8650 1.4920 1.1643 2.5550 7.5332 2.0117 2.1516 4.9061 2.6846 2.9767 2.1199 4.0326 3.4733 4.3465 2.4938 2.9304 2.7437 3.6618 3.2580 5.1129 5.5053 3.5685 3.5550 1.6549 1.3389 2.9098 1.7685 2.1263 1.6165 2.2219 2.1688 2.4461 2.5736 1.6300 1.7712 1.8150 1.3002 1.3013 2.5611 3.6631 4.2859 3.2275 3.4905 2.0699 2.1166 1.9332 1.6678 2.7698 2.0769 2.0794 1.1575 1.7608 2.0072 1.5046 2.8366 1.7741 1.6026 1.5988 1.2695 1.2737 1.2912 1.3014 1.1351 1.1325 1.2634 1.2646 1.3803 1.4063 1.5401 1.6328 1.3938 1.6701 1.6619 1.6949 1.2158 1.2151 1.1052 1.0829 1.0828 1.0790 1.0823 1.0860 1.0689 1.0910 1.0464 1.0499 1.0419 1.0479 1.0875 1.0889 10.4659 12.0264 8.4462 1.0646 1.0655 1.0655 1.0646 1.0371 1.0373 1.0606 1.0604 1.0658 1.0604 1.0597 1.0598 1.0926 1.0924 1.0920 1.0933 1.1000 1.1002 1.0986 1.1041 1.1058 1.1054 1.1020 1.1024 1.0992 1.0990 0.0012 0.0022 0.0024 0.0051 0.0059 0.0060 0.0065 0.0115 0.0101 0.0152 0.0200 0.0336 0.0354 0.0617 0.0419 0.0340 0.0791 0.2380 0.0730 0.0833 0.1928 0.1223 0.1451 0.1056 0.2685 0.2591 0.3380 0.3076 0.3928 0.3730 0.5992 0.6095 0.9699 1.5366 1.0853 1.0968 0.5258 0.4285 1.0183 0.6652 0.8187 0.6525 0.8986 0.8890 1.0890 1.1488 0.7819 0.8537 0.8792 0.6951 0.6957 1.4234 2.2035 2.6189 2.0149 2.1909 1.3952 1.4336 1.3414 1.2061 2.0572 1.5509 1.5536 0.8773 1.3415 1.5363 1.2164 2.4387 1.5337 1.3949 1.3978 1.1545 1.1625 1.1819 1.2362 1.1060 1.1040 1.2695 1.2709 1.4476 1.4908 1.6427 1.7438 1.5108 1.8203 1.8245 1.8637 1.3903 1.3894 1.3635 1.3430 1.3431 1.3430 1.3771 1.3867 1.3678 1.3992 1.3431 1.3496 1.3426 1.3515 1.4172 1.4191 15.7614 18.1987 13.7143 5.5054 5.5127 5.5131 5.5088 5.4026 5.4037 5.5411 5.5416 5.5979 5.5761 5.6249 5.6273 5.8916 5.8906 5.8939 5.9072 6.0102 6.0128 6.0197 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