Gaussian 09 GINC-KIMIK2023 CBGUSER 000222215 EM64L-G09RevD.01 30-Nov-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInputnosymm 276.15689999999984 0 1 AuxInfo=1/0/N:14,16,20,9,12,7,10,8,13,11,15,17,18,19,21,5,6,1,3,2,4/CRV:14.3,15.3,16.1,17.1/rA:49OOOOO1O1CCCCCCCCCCCCC3CC3HHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7;;s2s8;s10;s1s10;s9;s1;s12;s3s15;s4;s3s5s18;s18;s2s4s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s17;s17;s16;s16;s16;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-23968.inp" -scrdir="/scratch/" chk=000222215.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 000222215 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 16 16 16 16 16 16 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 1 1 15.9949146 15.9949146 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 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 1.0078250 1.0078250 0 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 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 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 R47 R48 1 1 2 2 3 3 4 4 5 6 7 7 7 7 8 8 8 9 9 9 10 10 10 10 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 16 17 17 18 18 18 20 20 20 13 15 11 21 17 19 18 21 19 21 8 9 22 23 11 24 25 14 26 27 12 13 28 29 30 31 16 32 33 34 35 36 37 38 17 39 40 43 44 45 41 42 19 20 46 47 48 49 1.4569 1.431 1.475 1.3608 1.4625 1.3703 1.4675 1.3754 1.2039 1.2109 1.5326 1.5347 1.1072 1.1082 1.5222 1.1114 1.1093 1.5254 1.1074 1.1186 1.5315 1.5276 1.1093 1.1077 1.1037 1.1061 1.5265 1.1172 1.1081 1.1062 1.104 1.0959 1.0963 1.0963 1.5318 1.1104 1.1062 1.0965 1.0955 1.0961 1.1025 1.1059 1.5378 1.5124 1.1155 1.1026 1.0982 1.1011 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A87 A88 13 11 17 18 8 8 8 9 9 22 7 7 7 11 11 24 7 7 7 14 14 26 12 12 12 13 13 28 2 2 2 8 8 30 10 10 10 16 16 32 1 1 1 10 10 34 9 9 9 36 36 37 1 1 1 17 17 39 12 12 12 43 43 44 3 3 3 15 15 41 4 4 4 19 19 20 3 3 5 18 18 18 47 47 48 2 2 4 1 2 3 4 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 15 21 19 21 9 22 23 22 23 23 11 24 25 24 25 25 14 26 27 26 27 27 13 28 29 28 29 29 8 30 31 30 31 31 16 32 33 32 33 33 10 34 35 34 35 35 36 37 38 37 38 38 17 39 40 39 40 40 43 44 45 44 45 45 15 41 42 41 42 42 19 20 46 20 46 46 5 18 18 47 48 49 48 49 49 4 6 6 114.5114 115.3353 118.2214 116.4927 111.0289 110.3421 109.9855 109.6981 109.6802 105.9807 111.0289 110.0621 110.6023 109.6995 109.875 105.4243 111.7519 109.984 109.7212 109.8694 109.6776 105.6558 111.4849 110.5899 110.7665 109.0975 109.6547 105.0397 108.9711 109.0723 99.7444 113.3547 113.71 111.0371 111.5859 109.9686 110.0116 109.3744 109.7491 105.9953 102.9566 108.6528 109.0142 112.9354 113.2715 109.6738 111.7594 111.7033 111.1005 107.4376 107.3523 107.2458 110.4945 111.2438 102.1926 111.0519 112.0378 109.5173 111.5292 111.2543 111.624 107.3879 107.26 107.5567 107.5274 101.7912 110.3724 113.8299 112.1838 110.5779 109.6867 102.9612 107.6061 111.3665 110.8584 113.9518 123.6237 106.6861 129.6791 111.6625 111.5711 110.9419 108.0771 106.336 108.0267 106.1863 127.747 126.0656 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 15 15 15 13 13 13 21 21 21 11 11 19 19 19 17 17 21 21 21 18 18 9 9 9 22 22 22 23 23 23 8 8 8 22 22 22 23 23 23 7 7 7 24 24 24 25 25 25 7 7 7 26 26 26 27 27 27 13 13 13 28 28 28 29 29 29 12 12 12 28 28 28 29 29 29 10 10 10 32 32 32 33 33 33 1 1 1 39 39 39 40 40 40 4 4 20 20 46 46 4 4 4 19 19 19 46 46 46 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 13 13 13 15 15 15 11 11 11 21 21 17 17 17 19 19 18 18 18 21 21 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 10 34 35 17 39 40 8 30 31 4 6 15 41 42 5 18 19 20 46 2 6 11 24 25 11 24 25 11 24 25 14 26 27 14 26 27 14 26 27 2 30 31 2 30 31 2 30 31 36 37 38 36 37 38 36 37 38 16 32 33 16 32 33 16 32 33 1 34 35 1 34 35 1 34 35 43 44 45 43 44 45 43 44 45 3 41 42 3 41 42 3 41 42 3 5 3 5 3 5 47 48 49 47 48 49 47 48 49 173.8341 -66.1854 53.2974 82.4845 -41.347 -158.1369 78.1655 -46.0558 -162.4636 -172.5584 7.818 89.8745 -150.2077 -32.7862 13.7124 -167.3965 -58.4666 -177.1137 62.2164 -174.6628 4.969 -178.9648 59.376 -56.7136 -57.117 -178.7762 65.1342 59.452 -62.2072 -178.2968 -175.825 61.8667 -53.9439 61.9521 -60.3561 -176.1667 -54.0634 -176.3717 67.8177 175.9523 -62.3928 65.6822 -62.1768 59.4781 -172.4469 53.2796 174.9345 -56.9906 -59.8063 60.6009 -179.6892 62.5675 -177.0253 -57.3154 178.2874 -61.3054 58.4045 -175.4555 62.9882 -53.3939 -53.8903 -175.4467 68.1712 62.1439 -59.4124 -175.7945 176.4531 59.4708 -65.9745 54.0258 -62.9564 171.5983 -60.5092 -177.4915 57.0632 60.7369 -179.3857 -59.2296 -177.3632 -57.4858 62.6703 -61.4757 58.4016 178.5578 -126.9239 121.1284 -5.3879 -2.9819 -114.9296 118.5541 119.8386 7.891 -118.6253 136.1893 -45.0104 -110.4966 68.3037 17.4968 -163.7029 63.473 -175.4594 -54.9551 -53.9941 67.0736 -172.4222 179.6959 -59.2365 61.2678 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 254 294 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 49 49 49 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= 16653 NPrTT= 83146 LenC2= 14549 LenP2D= 44308. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 266 RedAO= T EigKep= 2.33D-03 NBF= 266 NBsUse= 266 1.00D-06 EigRej= -1.00D+00 NBFU= 266 Using GEDIIS/GDIIS optimizer. local minimum Step number 58 out of a maximum of 254 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00118 0.00205 0.00269 0.00323 0.00339 0.00345 0.00388 0.00421 0.00431 0.00559 0.00676 0.00895 0.01148 0.01355 0.01871 0.02460 0.03455 0.03530 0.03565 0.03610 0.03648 0.03909 0.04400 0.04760 0.04781 0.04831 0.04873 0.04897 0.04941 0.05147 0.05318 0.05489 0.05515 0.05541 0.05571 0.05573 0.05722 0.05810 0.05879 0.05917 0.06059 0.06129 0.06328 0.06909 0.08038 0.08146 0.08213 0.08283 0.08370 0.08433 0.08837 0.10451 0.11343 0.11521 0.11728 0.11906 0.12072 0.12240 0.12302 0.12325 0.12468 0.13712 0.14097 0.14281 0.14619 0.15812 0.15933 0.15990 0.16000 0.16011 0.16045 0.16083 0.16167 0.16265 0.17551 0.18598 0.20643 0.21484 0.21875 0.22146 0.22506 0.23209 0.23572 0.24434 0.24956 0.25076 0.26080 0.26803 0.28136 0.28788 0.28895 0.29211 0.29591 0.29844 0.30043 0.30172 0.30416 0.30781 0.31311 0.31482 0.32096 0.32392 0.32473 0.32553 0.32568 0.32678 0.32736 0.32784 0.32834 0.32855 0.32889 0.32918 0.33020 0.33084 0.33144 0.33335 0.33401 0.33488 0.33544 0.33684 0.33779 0.33958 0.34063 0.34098 0.34119 0.34159 0.34224 0.35038 0.36621 0.36920 0.38393 0.40403 0.40967 0.44784 0.48831 0.50763 0.55686 0.59368 0.88507 1.00945 1.46908 RFO step: Lambda=-4.29133331D-08. 1 2 0.00105910 0.00000052 0.00000032 0.00000000 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 R47 R48 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 A87 A88 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 2.79860 2.75551 2.83825 2.59057 2.83039 2.63355 2.80752 2.62151 2.35537 2.37169 2.92456 2.92127 2.09769 2.09757 2.89582 2.09067 2.09136 2.91713 2.09523 2.09570 2.92414 2.89277 2.09328 2.09323 2.08896 2.08206 2.91803 2.09670 2.09300 2.08943 2.10433 2.09089 2.09122 2.08877 2.89775 2.10067 2.09119 2.09236 2.09027 2.09090 2.08899 2.08606 2.90836 2.89658 2.08603 2.08377 2.08483 2.08338 2.00463 2.00602 2.05848 1.99476 1.96142 1.92071 1.91168 1.90620 1.90085 1.86010 1.94752 1.90650 1.91990 1.90529 1.90849 1.87463 1.96880 1.90687 1.90223 1.91435 1.91317 1.85490 1.95868 1.91495 1.92455 1.89169 1.90607 1.86527 1.93953 1.89459 1.79884 1.94147 1.95828 1.92546 1.96115 1.90952 1.90208 1.90891 1.92060 1.85873 1.86787 1.93711 1.90379 1.92555 1.93697 1.89278 1.93878 1.93707 1.94422 1.87946 1.88098 1.88059 1.99155 1.94813 1.83530 1.91595 1.87504 1.89237 1.93576 1.94532 1.93930 1.88359 1.87615 1.88094 1.92672 1.83988 1.90286 1.92984 1.93631 1.92581 1.91830 1.84564 1.90894 1.94705 1.88965 1.95390 2.18621 1.89230 2.20394 1.92706 1.91777 1.91519 1.90612 1.89700 1.90035 1.88609 2.21404 2.18284 -3.13772 -1.03577 1.04864 1.49500 -0.68971 -2.73802 1.39817 -0.74225 -2.78423 -3.08697 0.07637 2.21696 -1.98175 0.08573 -0.03040 3.07214 -1.15321 3.02612 0.91915 3.11269 -0.05016 3.11428 1.00602 -1.04753 -1.04045 3.13448 1.08093 0.99900 -1.10925 3.12038 -3.12287 1.02629 -0.99366 1.02364 -1.11039 -3.13035 -1.00140 -3.13542 1.12780 -3.13987 -1.02676 1.13966 -1.03091 1.08221 -3.03456 1.01534 3.12845 -0.98831 -1.04271 1.04777 -3.13989 1.08711 -3.10559 -1.01006 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0.00018 0.00025 0.00015 0.00022 0.00029 0.00019 0.00017 0.00016 0.00015 0.00016 0.00015 0.00015 0.00017 0.00015 0.00015 -0.00021 -0.00018 -0.00021 -0.00016 -0.00013 -0.00016 -0.00017 -0.00014 -0.00017 0.00014 0.00013 0.00012 0.00011 0.00010 0.00009 0.00013 0.00012 0.00010 -0.00025 -0.00027 -0.00022 -0.00025 -0.00026 -0.00022 -0.00026 -0.00028 -0.00023 -0.00005 -0.00005 -0.00005 -0.00006 -0.00006 -0.00006 -0.00003 -0.00002 -0.00003 -0.00002 -0.00003 -0.00002 -0.00002 -0.00005 -0.00005 0.00004 0.00004 0.00004 0.00000 0.00000 0.00000 0.00002 0.00002 0.00002 0.00001 0.00003 -0.00009 0.00003 -0.00007 0.00001 0.00002 -0.00002 -0.00004 0.00000 0.00001 -0.00002 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00001 0.00000 -0.00002 -0.00005 0.00003 -0.00001 0.00001 0.00001 0.00000 0.00002 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00002 0.00006 0.00001 0.00003 -0.00007 0.00001 -0.00001 0.00003 0.00007 -0.00003 0.00001 -0.00002 -0.00006 -0.00002 0.00004 0.00004 0.00006 -0.00004 0.00000 -0.00003 -0.00005 0.00005 0.00005 -0.00003 0.00001 0.00004 -0.00008 0.00001 0.00009 0.00007 -0.00003 -0.00006 -0.00002 -0.00003 -0.00008 0.00007 0.00004 -0.00004 -0.00001 0.00002 -0.00001 -0.00001 -0.00005 0.00002 0.00000 0.00006 0.00004 0.00001 -0.00003 0.00000 0.00000 -0.00001 -0.00009 0.00004 -0.00003 0.00002 0.00004 0.00002 -0.00004 0.00007 -0.00001 -0.00002 0.00001 -0.00002 -0.00015 0.00008 0.00007 0.00008 -0.00002 -0.00005 0.00007 -0.00006 -0.00003 -0.00006 0.00004 0.00004 0.00000 -0.00002 0.00002 -0.00005 0.00001 0.00002 0.00001 0.00003 -0.00001 -0.00004 0.00002 0.00002 0.00058 0.00059 0.00061 0.00007 0.00009 0.00006 0.00030 0.00027 0.00030 -0.00041 -0.00037 0.00084 0.00090 0.00091 -0.00007 -0.00012 0.00005 0.00012 0.00012 0.00042 0.00038 0.00029 0.00032 0.00031 0.00030 0.00032 0.00032 0.00026 0.00029 0.00028 0.00021 0.00023 0.00020 0.00022 0.00024 0.00020 0.00020 0.00023 0.00019 0.00070 0.00081 0.00070 0.00068 0.00078 0.00067 0.00074 0.00085 0.00074 0.00010 0.00013 0.00010 0.00006 0.00010 0.00007 0.00008 0.00011 0.00008 -0.00018 -0.00012 -0.00021 -0.00011 -0.00006 -0.00014 -0.00012 -0.00006 -0.00015 0.00076 0.00077 0.00069 0.00074 0.00075 0.00067 0.00075 0.00076 0.00068 -0.00028 -0.00027 -0.00025 -0.00027 -0.00027 -0.00025 -0.00027 -0.00027 -0.00025 -0.00018 -0.00023 -0.00021 -0.00018 -0.00023 -0.00021 -0.00012 -0.00018 -0.00015 -0.00051 -0.00056 -0.00057 -0.00062 -0.00053 -0.00058 0.00006 0.00004 0.00004 0.00004 0.00002 0.00003 0.00001 -0.00001 0.00000 2.79861 2.75554 2.83816 2.59060 2.83032 2.63356 2.80754 2.62149 2.35533 2.37169 2.92457 2.92125 2.09770 2.09757 2.89584 2.09066 2.09136 2.91714 2.09522 2.09568 2.92409 2.89280 2.09326 2.09324 2.08897 2.08206 2.91805 2.09670 2.09300 2.08943 2.10433 2.09089 2.09122 2.08878 2.89776 2.10065 2.09118 2.09236 2.09028 2.09091 2.08899 2.08606 2.90835 2.89660 2.08602 2.08377 2.08483 2.08338 2.00465 2.00608 2.05849 1.99479 1.96135 1.92073 1.91168 1.90624 1.90092 1.86007 1.94753 1.90648 1.91984 1.90527 1.90853 1.87468 1.96886 1.90683 1.90223 1.91432 1.91312 1.85495 1.95873 1.91492 1.92456 1.89173 1.90599 1.86527 1.93962 1.89466 1.79880 1.94141 1.95826 1.92543 1.96108 1.90959 1.90211 1.90887 1.92059 1.85876 1.86786 1.93710 1.90373 1.92557 1.93697 1.89284 1.93882 1.93709 1.94418 1.87946 1.88097 1.88058 1.99146 1.94817 1.83527 1.91597 1.87508 1.89239 1.93573 1.94540 1.93929 1.88357 1.87616 1.88092 1.92658 1.83996 1.90292 1.92991 1.93629 1.92576 1.91837 1.84558 1.90891 1.94699 1.88969 1.95394 2.18621 1.89227 2.20397 1.92700 1.91778 1.91521 1.90613 1.89703 1.90034 1.88605 2.21405 2.18286 -3.13714 -1.03518 1.04926 1.49507 -0.68962 -2.73796 1.39846 -0.74198 -2.78393 -3.08738 0.07600 2.21779 -1.98086 0.08664 -0.03047 3.07203 -1.15316 3.02624 0.91927 3.11311 -0.04978 3.11457 1.00634 -1.04722 -1.04015 3.13481 1.08125 0.99926 -1.10897 3.12066 -3.12265 1.02653 -0.99347 1.02386 -1.11015 -3.13014 -1.00119 -3.13520 1.12799 -3.13917 -1.02595 1.14037 -1.03023 1.08299 -3.03388 1.01608 3.12930 -0.98757 -1.04262 1.04790 -3.13979 1.08717 -3.10550 -1.01000 3.11753 -1.07514 1.02036 -3.08705 1.07237 -0.95363 -0.98287 -3.10664 1.15054 1.06707 -1.05670 -3.08271 -3.13419 1.03969 -1.05880 1.03146 -1.07784 3.10685 -0.99457 -3.10387 1.08082 1.06092 -3.12309 -1.02484 -3.09809 -0.99891 1.09933 -1.06199 1.03719 3.13543 -1.47244 2.78155 0.63895 0.72921 -1.29999 2.84059 2.78362 0.75443 -1.38818 2.71985 -0.46134 -1.52196 1.58004 0.63565 -2.54554 1.05105 -3.12857 -1.03959 -1.03398 1.06959 -3.12461 3.12845 -1.05117 1.03781 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000076 0.000013 0.005346 0.001059 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -5.128320e-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 R47 R48 1 1 2 2 3 3 4 4 5 6 7 7 7 7 8 8 8 9 9 9 10 10 10 10 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 16 17 17 18 18 18 20 20 20 13 15 11 21 17 19 18 21 19 21 8 9 22 23 11 24 25 14 26 27 12 13 28 29 30 31 16 32 33 34 35 36 37 38 17 39 40 43 44 45 41 42 19 20 46 47 48 49 1.481 1.4582 1.5019 1.3709 1.4978 1.3936 1.4857 1.3872 1.2464 1.255 1.5476 1.5459 1.1101 1.11 1.5324 1.1063 1.1067 1.5437 1.1087 1.109 1.5474 1.5308 1.1077 1.1077 1.1054 1.1018 1.5442 1.1095 1.1076 1.1057 1.1136 1.1065 1.1066 1.1053 1.5334 1.1116 1.1066 1.1072 1.1061 1.1065 1.1054 1.1039 1.539 1.5328 1.1039 1.1027 1.1032 1.1025 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A87 A88 13 11 17 18 8 8 8 9 9 22 7 7 7 11 11 24 7 7 7 14 14 26 12 12 12 13 13 28 2 2 2 8 8 30 10 10 10 16 16 32 1 1 1 10 10 34 9 9 9 36 36 37 1 1 1 17 17 39 12 12 12 43 43 44 3 3 3 15 15 41 4 4 4 19 19 20 3 3 5 18 18 18 47 47 48 2 2 4 1 2 3 4 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 15 21 19 21 9 22 23 22 23 23 11 24 25 24 25 25 14 26 27 26 27 27 13 28 29 28 29 29 8 30 31 30 31 31 16 32 33 32 33 33 10 34 35 34 35 35 36 37 38 37 38 38 17 39 40 39 40 40 43 44 45 44 45 45 15 41 42 41 42 42 19 20 46 20 46 46 5 18 18 47 48 49 48 49 49 4 6 6 114.8571 114.9363 117.9423 114.2914 112.3809 110.0487 109.5315 109.2175 108.9109 106.5759 111.5847 109.2344 110.0023 109.1651 109.3486 107.4085 112.8038 109.2558 108.9898 109.6842 109.6165 106.2779 112.2244 109.7185 110.2685 108.3857 109.2095 106.8718 111.1268 108.5522 103.0657 111.2382 112.2012 110.3208 112.3658 109.4074 108.981 109.3726 110.0422 106.4977 107.0212 110.9884 109.079 110.326 110.9803 108.4486 111.0842 110.9862 111.3953 107.6853 107.772 107.7501 114.1077 111.6194 105.155 109.7759 107.4319 108.4249 110.9112 111.4588 111.1136 107.9215 107.4954 107.7701 110.3931 105.4175 109.0257 110.5716 110.9421 110.3408 109.9107 105.7473 109.3741 111.5576 108.2692 111.9505 125.2607 108.4207 126.2766 110.4122 109.8799 109.7324 109.2128 108.69 108.8821 108.0649 126.855 125.0675 -DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 15 15 15 13 13 13 21 21 21 11 11 19 19 19 17 17 21 21 21 18 18 9 9 9 22 22 22 23 23 23 8 8 8 22 22 22 23 23 23 7 7 7 24 24 24 25 25 25 7 7 7 26 26 26 27 27 27 13 13 13 28 28 28 29 29 29 12 12 12 28 28 28 29 29 29 10 10 10 32 32 32 33 33 33 1 1 1 39 39 39 40 40 40 4 4 20 20 46 46 4 4 4 19 19 19 46 46 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 18 18 18 18 18 13 13 13 15 15 15 11 11 11 21 21 17 17 17 19 19 18 18 18 21 21 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 19 19 19 19 19 19 20 20 20 20 20 20 20 20 10 34 35 17 39 40 8 30 31 4 6 15 41 42 5 18 19 20 46 2 6 11 24 25 11 24 25 11 24 25 14 26 27 14 26 27 14 26 27 2 30 31 2 30 31 2 30 31 36 37 38 36 37 38 36 37 38 16 32 33 16 32 33 16 32 33 1 34 35 1 34 35 1 34 35 43 44 45 43 44 45 43 44 45 3 41 42 3 41 42 3 41 42 3 5 3 5 3 5 47 48 49 47 48 49 47 48 -179.7783 -59.3452 60.0828 85.6571 -39.5173 -156.8768 80.1091 -42.528 -159.5244 -176.8705 4.3755 127.0222 -113.546 4.9117 -1.7418 176.0208 -66.074 173.3839 52.6633 178.3439 -2.8742 178.4351 57.6408 -60.0189 -59.6132 179.5926 61.9328 57.2387 -63.5556 178.7847 -178.927 58.8022 -56.9328 58.6501 -63.6206 -179.3556 -57.3758 -179.6466 64.6185 -179.9013 -58.8288 65.298 -59.0666 62.0059 -173.8673 58.1747 179.2472 -56.626 -59.7432 60.0327 -179.9022 62.2867 -177.9375 -57.8724 178.6164 -61.6077 58.4573 -176.8646 61.4494 -54.6273 -56.3078 -177.9938 65.9296 61.1451 -60.5409 -176.6175 -179.6192 59.5261 -60.7041 59.0561 -61.7986 177.9712 -57.0276 -177.8823 61.8874 60.8019 -178.9241 -58.7047 -177.4922 -57.2182 63.0012 -60.8321 59.4419 179.6613 -84.3542 159.3843 36.6208 41.7911 -74.4704 162.7661 159.497 43.2355 -79.528 155.8653 -26.4008 -87.169 90.5649 36.4507 -145.8154 60.2174 -179.2559 -59.5665 -59.2449 61.2818 -179.0288 179.2464 -60.2269 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 0 0 276.15689999999984 AuxInfo=1/0/N:14,16,20,9,12,7,10,8,13,11,15,17,18,19,21,5,6,1,3,2,4/CRV:14.3,15.3,16.1,17.1/rA:49OOOOO1O1CCCCCCCCCCCCC3CC3HHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7;;s2s8;s10;s1s10;s9;s1;s12;s3s15;s4;s3s5s18;s18;s2s4s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s17;s17;s16;s16;s16;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.978848 0.000000 3.479201 5.074631 0.000000 5.537481 2.187870 3.483312 0.000000 3.716330 4.374483 2.270306 2.966866 0.000000 3.958615 2.309888 3.238529 2.306279 3.273690 0.000000 6.174374 3.805796 7.312846 5.643029 6.337480 4.420672 0.000000 5.537672 2.439837 6.081080 4.154739 5.004150 3.234182 1.532557 0.000000 6.257981 4.966462 7.881309 6.550053 6.647474 5.374101 1.534690 2.528237 0.000000 2.335344 6.141200 5.243457 6.253242 4.444920 4.779617 5.151761 4.843436 4.701695 0.000000 6.018183 1.475034 5.911253 3.557589 5.243246 2.763264 2.517974 1.522232 3.880089 5.863149 0.000000 3.730728 5.965373 6.109938 6.370207 4.802099 5.170739 4.484528 4.292741 3.702357 1.531509 5.588165 0.000000 1.456857 5.065319 3.777735 4.899514 3.184155 3.434946 5.008833 4.326076 4.992469 1.527564 5.038826 2.528372 0.000000 7.201330 6.293859 9.168866 7.979267 8.066408 6.625033 2.533210 3.888214 1.525383 5.537144 5.050504 4.597209 6.067908 0.000000 1.430990 5.674639 2.415533 4.924303 3.474657 3.439062 6.630683 5.807669 7.009882 3.673174 5.932235 4.936208 2.428987 8.037773 0.000000 4.858687 7.374732 7.526361 7.875713 6.214626 6.667049 5.356472 5.481313 4.229853 2.529024 6.871095 1.526518 3.885115 4.714720 6.191197 0.000000 2.435005 5.970092 1.462482 4.683350 2.756900 3.925728 7.513285 6.464244 7.866993 4.437327 6.555295 5.550444 3.151550 9.043122 1.531848 6.828336 0.000000 5.154540 3.557516 2.335074 1.467548 2.485634 2.764977 6.748508 5.300239 7.554323 6.318643 4.804369 6.715877 4.852124 8.969015 4.302635 8.225135 3.715154 0.000000 3.881995 4.166459 1.370309 2.457423 1.203940 2.809384 6.610754 5.247171 7.157447 5.089872 5.150680 5.627832 3.647550 8.550664 3.193440 7.094190 2.431450 1.537770 0.000000 6.392330 4.493629 3.341101 2.331681 3.169017 4.211694 7.874858 6.365221 8.622672 7.457977 5.887633 7.736325 6.057815 10.093589 5.580133 9.202510 4.700886 1.512414 2.519290 0.000000 4.941948 1.360781 3.725773 1.375358 3.314525 1.210932 4.460742 3.061447 5.476198 5.512036 2.396930 5.633819 4.224855 6.831170 4.463465 7.132328 4.661904 2.417862 2.915944 3.628945 0.000000 7.244774 4.089904 8.160845 6.128806 7.177572 5.131552 1.107195 2.180444 2.174081 6.252521 2.750381 5.518929 6.086827 2.796709 7.624105 6.306803 8.475886 7.359382 7.402015 8.405655 4.999960 0.000000 5.893979 4.138633 7.247975 5.916778 6.592560 4.322514 1.108199 2.176645 2.174602 5.077235 2.763842 4.689494 4.919669 2.734494 6.306848 5.553745 7.365254 6.903274 6.737863 8.161958 4.613262 1.769067 0.000000 4.454632 2.706545 5.235184 3.893672 4.163620 2.687587 2.180029 1.111402 2.773467 3.810738 2.166328 3.428489 3.216812 4.167909 4.803730 4.760316 5.471343 4.802923 4.477528 5.958861 2.803980 3.101400 2.533076 0.000000 6.111944 2.636845 6.424675 4.200254 5.010111 3.853980 2.185317 1.109269 2.759738 5.248040 2.166978 4.461637 4.791020 4.205464 6.422673 5.586852 6.875573 5.426823 5.405996 6.274398 3.399907 2.564206 3.101959 1.766771 0.000000 6.847213 5.097783 8.223026 6.632713 6.733564 5.820317 2.177909 2.791469 1.107412 5.197349 4.190497 3.981509 5.480203 2.168274 7.598933 4.438243 8.286884 7.706448 7.349087 8.619410 5.720513 2.514750 3.093055 3.151617 2.562886 0.000000 5.317645 5.070646 7.221273 6.345896 5.988265 5.047584 2.182894 2.728334 1.118572 3.612154 4.159267 2.607037 4.047674 2.174184 6.198391 3.210248 7.052291 7.175240 6.573256 8.278565 5.306272 3.099746 2.567242 2.503079 3.024048 1.773730 0.000000 2.506350 7.047339 5.458738 6.907421 4.702570 5.590056 6.235571 5.880712 5.700736 1.109282 6.889488 2.184247 2.161656 6.488481 3.900601 2.742662 4.445870 6.789176 5.417120 7.824977 6.318003 7.330721 6.183696 4.832298 6.202760 6.115241 4.591618 0.000000 2.569902 6.552374 5.805434 6.864204 5.319798 5.103221 5.159221 5.115240 4.730829 1.107740 6.075919 2.185324 2.167682 5.312346 3.889977 2.809499 4.942555 6.958438 5.807796 8.207933 5.967035 6.252142 4.873196 4.155981 5.689736 5.414777 3.682472 1.759349 0.000000 5.729769 2.111315 5.768423 3.888008 5.503698 2.532624 2.833390 2.206178 4.258178 5.832484 1.103650 5.800821 4.959471 5.250707 5.542250 7.085805 6.344017 4.932194 5.249449 6.177713 2.581990 3.154561 2.625328 2.548322 3.111517 4.803645 4.449343 6.872125 5.880495 0.000000 7.123858 1.987850 6.870802 4.168880 6.160785 3.759722 2.865984 2.212428 4.271526 6.885707 1.106130 6.485381 6.122596 5.311729 7.018158 7.687825 7.602284 5.525229 6.054669 6.453863 3.208754 2.648692 3.224297 3.115273 2.541217 4.445995 4.786665 7.921189 7.084956 1.821544 0.000000 4.107684 5.278393 6.272481 6.036036 5.006513 4.734931 3.382075 3.347503 2.625091 2.182246 4.704810 1.117173 2.807229 3.609870 5.153555 2.170212 5.905871 6.592376 5.712066 7.682184 5.142451 4.414870 3.616987 2.610892 3.604759 3.025995 1.529546 3.107910 2.526892 4.932998 5.546186 0.000000 4.022193 5.755765 5.844840 5.945641 4.209702 5.141084 4.809684 4.331591 4.094074 2.176007 5.612514 1.108130 2.727889 5.192840 5.094042 2.168267 5.412658 6.279216 5.186030 7.133016 5.416545 5.784828 5.204577 3.484598 4.260720 4.111626 3.116281 2.579188 3.100669 5.988039 6.479488 1.777159 0.000000 2.092130 4.900766 3.341208 4.399310 2.240316 3.462124 5.387100 4.458485 5.369688 2.207751 5.152572 2.818156 1.106210 6.600967 2.733607 4.213564 2.886948 4.270966 2.956978 5.301404 4.008032 6.413432 5.490762 3.375837 4.699604 5.657713 4.470529 2.560332 3.111959 5.256063 6.201705 3.203332 2.558281 0.000000 2.095082 4.202129 3.860982 4.368680 3.390284 2.600450 4.137607 3.446277 4.382175 2.210193 4.037160 2.873427 1.104031 5.487411 2.639982 4.300106 3.565668 4.553523 3.639949 5.883192 3.457443 5.190918 3.973208 2.372415 4.078714 4.965779 3.586268 3.105528 2.534731 3.878278 5.130827 2.703456 3.160978 1.806908 0.000000 8.153021 6.538151 9.904513 8.398008 8.795162 7.168171 2.803657 4.243286 2.183428 6.578718 5.230970 5.619216 7.006022 1.095948 8.899281 5.760238 9.891989 9.500153 9.230419 10.582874 7.256261 2.616831 3.077388 4.762677 4.482471 2.543824 3.101106 7.550163 6.369711 5.478741 5.264342 4.602142 6.130559 7.495251 6.344725 0.000000 6.920876 6.520097 9.093075 8.175757 8.238300 6.561021 2.809192 4.203022 2.183005 5.412717 5.210187 4.740352 5.953402 1.096308 7.741883 4.869528 8.886028 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5.388120 3.926272 5.578167 6.756245 5.455444 2.505332 3.087400 4.560131 6.030734 3.176328 2.543015 0.000000 2.124000 6.277149 3.701669 5.690533 4.985516 3.942132 6.922729 6.356562 7.349055 2.191809 6.362840 2.828335 1.113565 8.234080 2.740508 4.276739 3.769315 4.998553 4.407667 6.298436 5.115262 7.904659 6.370110 5.437205 7.169844 8.062866 6.559684 3.092549 2.532288 5.754142 7.416179 2.629854 3.110798 1.800505 0.000000 9.166092 6.648679 10.139888 8.584439 8.723924 7.198749 2.840756 4.284320 2.199101 7.199390 5.291746 6.496940 8.368773 1.106451 10.399084 5.450124 10.417150 9.583146 9.310467 10.890994 7.360508 2.619663 3.151670 4.800782 4.493263 2.552111 3.109350 6.598673 7.722491 5.488745 5.290171 7.354615 6.233083 8.130418 9.097296 0.000000 7.957950 6.623789 9.355024 8.336121 8.263271 6.572909 2.841591 4.273057 2.197992 5.819363 5.270506 5.086247 7.132598 1.106626 9.283027 3.851905 9.529211 9.118726 8.734668 10.543514 7.031674 3.173660 2.604427 4.444759 4.823822 3.108924 2.545422 5.333656 6.205465 5.170967 5.572566 5.900287 5.053066 7.078123 7.786371 1.786837 0.000000 8.482311 7.266832 9.873247 8.913000 8.471389 7.425736 3.536300 4.766990 2.202178 6.641101 6.058915 6.260443 7.916405 1.105329 9.784913 5.140756 9.892885 9.717427 9.165719 11.058584 7.735075 3.819216 3.807608 4.910244 4.950559 2.527918 2.530683 5.907013 6.994796 6.242323 6.330614 7.204979 6.228833 7.849245 8.728724 1.786777 1.786669 0.000000 2.134558 7.213480 2.605236 5.908621 4.571826 5.034226 8.584368 7.706366 8.920733 4.075287 7.728348 5.109488 2.632956 10.004520 1.111624 6.521378 2.177284 4.735877 3.876450 5.593567 5.887147 9.581980 8.257888 6.711229 8.279950 9.421679 8.061903 4.560499 4.307429 7.355489 8.789837 5.065828 5.217007 2.899670 2.442357 10.895727 9.733751 10.402533 0.000000 2.048045 8.067065 3.399902 6.837343 4.786682 6.046649 9.030526 8.203454 9.070957 4.446197 8.530315 5.818227 3.347146 10.133984 1.106610 7.009714 2.143049 5.741793 4.508298 6.520522 6.826118 10.089915 8.821771 7.126716 8.647272 9.470430 8.097321 4.625342 4.457982 8.301988 9.617915 5.992270 6.070997 3.794377 3.564956 11.106464 9.949693 10.348830 1.799414 0.000000 3.429092 7.238077 2.084632 5.545318 3.497232 5.609343 9.095052 7.940428 9.320268 5.619336 8.081858 6.774819 4.306467 10.619655 2.182805 8.086658 1.105444 4.291225 3.110640 4.635719 5.991829 10.052438 9.085247 6.965911 8.180162 9.526704 8.486370 5.615094 6.042805 8.058949 9.085735 7.056585 6.632696 4.103990 4.653031 11.474998 10.617799 10.933170 2.620359 2.381448 0.000000 2.645777 6.189044 2.130708 4.908067 2.345705 4.677460 7.559140 6.466909 7.639833 4.499663 6.856809 5.706431 3.502867 8.943423 2.186326 6.844693 1.103895 4.030371 2.519533 4.778055 5.078038 8.545215 7.634883 5.448769 6.662171 7.803844 6.781472 4.210228 5.033183 6.931425 7.883092 6.235485 5.545388 3.235421 4.245749 9.813865 9.012668 9.203836 3.086435 2.624351 1.813545 0.000000 5.135955 5.809884 6.941964 6.862250 6.436131 4.710865 3.475711 4.052456 3.369325 2.839899 4.830714 2.197917 4.241827 3.667124 6.501591 1.107229 7.010768 7.213379 6.664504 8.729607 5.603200 4.429365 2.795202 3.528716 4.940048 4.381689 2.728686 2.605354 3.215579 4.384740 5.635420 3.106854 2.545742 4.414466 4.826184 4.591625 3.042109 4.139019 6.864170 7.166610 8.109265 6.684801 0.000000 5.940178 6.153142 7.561273 7.279992 7.413250 4.989191 4.127725 4.794676 4.507095 3.534503 5.083718 2.203999 4.752215 4.561955 7.207041 1.106121 7.843781 7.635706 7.378917 9.160947 5.959598 4.838333 3.100531 4.493899 5.837028 5.596259 4.194290 3.813639 3.841480 4.311652 5.763394 2.521170 2.544524 4.922201 4.965575 5.227630 3.680747 5.236337 7.305225 7.955608 8.929875 7.736008 1.789746 0.000000 5.142104 7.164570 7.444156 7.951650 7.450360 5.662520 5.174908 5.717301 5.109155 2.826176 6.276460 2.199899 4.266442 5.152854 6.526192 1.106459 7.387275 8.054733 7.483305 9.577976 6.747512 6.056907 4.342154 5.132687 6.659191 6.132056 4.456521 3.125517 2.641355 5.625053 7.099703 2.553364 3.112715 4.798410 4.518342 6.042971 4.320493 5.505499 6.732011 7.074673 8.440830 7.248485 1.785164 1.787401 0.000000 4.931126 3.912664 2.454603 2.124585 3.275502 2.591755 6.949418 5.661103 7.879367 5.405048 4.981230 5.513734 4.277906 9.207395 4.585092 6.896958 3.934096 1.103878 2.156926 2.198413 2.637190 7.613910 6.839189 5.117217 6.089082 8.204602 7.475810 5.620320 6.345188 4.810462 5.784113 5.658811 4.746707 3.288667 4.403960 9.755585 9.147542 9.927297 4.333842 5.628649 4.470867 4.390319 7.053630 7.248350 7.698533 0.000000 6.686269 4.737010 3.652580 2.651378 3.187624 4.703083 8.160292 6.632582 8.902234 7.602991 6.174940 7.978733 6.547965 10.409321 6.096672 9.191124 4.767421 2.178163 2.787239 1.102685 3.990863 8.700582 8.454403 6.223734 6.527974 8.837563 8.576242 7.432094 8.553008 6.541066 6.751225 8.388516 7.174267 5.558011 6.981908 10.875541 10.661711 11.008330 6.210067 6.887154 4.860776 4.837610 9.037665 9.636506 10.027086 3.108266 0.000000 6.161169 5.610352 2.943469 3.380734 3.722507 4.871852 8.932460 7.488154 9.711085 7.350289 6.945918 7.786896 6.056097 11.155492 5.308000 9.172933 4.153292 2.171802 2.795731 1.103243 4.547734 9.571269 9.020962 6.937770 7.614845 9.821733 9.268693 7.414424 8.195982 7.041205 7.640652 7.987520 7.103731 5.187121 6.239323 11.709859 11.246079 11.772918 5.154287 6.077627 4.075543 4.627608 9.217657 9.642467 9.911335 2.540650 1.798256 0.000000 7.137876 4.685205 4.102262 2.635570 4.297811 4.565830 8.391540 6.933918 9.376756 7.811590 6.111394 7.923097 6.706273 10.806629 6.556862 9.209882 5.494875 2.169343 3.492797 1.102477 3.909289 8.852548 8.517338 6.633824 7.027941 9.462772 9.131930 7.861389 8.779169 6.264106 6.605025 8.134473 7.056715 5.692858 6.896749 11.208688 10.929378 11.537708 6.378484 7.462123 5.652487 5.830409 9.232073 9.498202 10.082950 2.533191 1.791785 1.794391 0.000000 0.3143781 0.1841828 0.1325860 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= 261 261 261 261 261 MxSgAt= 49 MxSgA2= 49. 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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= 16653 NPrTT= 83146 LenC2= 14401 LenP2D= 43558. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 266 RedAO= T EigKep= 2.60D-03 NBF= 266 NBsUse= 266 1.00D-06 EigRej= -1.00D+00 NBFU= 266 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= 256 256 256 256 256 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 0 1 -1037.85678002172 -1038.04097140590 -0.184191384179 -1038.21265366026 -0.171682254362 -1036.99544587738 1.217207782879 -1038.26661683637 -1.271170958984 -1038.39329924096 -0.126682404595 -1038.40017069431 -0.006871453342 -1038.40043674682 -0.000266052515 -1038.40047367712 -0.000036930300 -1038.40048312985 -0.000009452730 -1038.40045963238 0.000023497466 -1038.40045949779 0.000000134593 -1038.40045998161 -0.000000483816 -1038.40046008878 -0.000000107169 -1038.40046013063 -0.000000041853 -1038.40046013200 -0.000000001371 -1038.40046013214 -0.000000000139 -1038.40046013213 0.000000000013 -1038.40046013 18 1.034512372772e+03 -6.175478787653e+03 2.228740458735e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=640284372. IVT= 234108 IEndB= 234108 NGot= 939524096 MDV= 308756673 LenX= 308756673 LenY= 308685476 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= 35511 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 4.63019130e-01 -1.37105705e-01 -4.28254145e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 8 8 8 8 8 8 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 1 1 -0.005255897 0.013986013 -0.000915246 0.003659392 -0.009067583 0.001118229 -0.000743048 -0.013048502 -0.014205636 0.010321978 -0.003818150 0.005395177 0.004329337 0.021978592 0.066479969 -0.039696618 0.039874592 -0.030065296 -0.001643366 0.000195629 0.001445052 -0.001819520 0.000042448 0.000911892 -0.004083562 0.001140452 0.000639762 0.004227515 -0.002228586 0.002446054 0.008441345 -0.006204135 0.001863848 0.002948397 -0.000269374 -0.000299876 -0.011666384 0.007727028 0.002666082 -0.001024583 0.005164503 0.003855578 -0.008256246 0.008984937 -0.009829588 0.002711645 0.002278512 0.004435080 -0.009107832 -0.009673315 -0.005491093 0.003300310 -0.000899382 0.000049885 0.003680321 -0.025759392 -0.061592662 -0.001051677 -0.015027199 0.004009631 0.032342971 -0.036702927 0.024150358 0.001680921 -0.000363017 0.000724212 -0.001253569 0.000570694 -0.000416133 0.003088290 0.001248891 -0.002304969 0.002787492 0.000407534 -0.002238274 0.000869273 -0.001290766 0.000363869 0.012672920 0.001756893 -0.002086605 0.001490790 -0.002892975 0.000838012 0.002160068 -0.001004274 -0.000963899 0.000078691 0.003119380 0.000039560 -0.000882574 0.009273087 -0.000668398 -0.011430534 -0.002437725 0.002464647 -0.000412410 -0.000714103 0.000064432 0.004696550 0.001323620 0.004246771 0.004877412 0.000470813 0.000703393 0.006988951 -0.000201861 -0.000353204 -0.002575589 0.001747353 -0.005751792 -0.001639340 0.004070785 0.004765066 -0.002301908 -0.003223413 -0.000586632 0.001113451 -0.007136105 -0.002758703 -0.002799399 0.005107671 0.001568809 -0.000297030 0.002572649 -0.001997862 -0.005800635 -0.001314483 0.002257837 0.004555847 0.001643995 0.005519618 0.000159457 0.005180879 -0.004488216 -0.005528760 -0.000055246 0.008631138 -0.001182423 0.003888544 0.000360670 -0.003755345 -0.000990121 -0.001634179 0.001024928 0.000567140 -0.003366367 0.066479969 0.011524954 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1038.42760804093 -1038.42762663268 -0.000018591751 -1038.42762665825 -0.000000025570 -1038.42762668480 -0.000000026547 -1038.42762671540 -0.000000030606 -1038.42762672028 -0.000000004877 -1038.42762672039 -0.000000000116 -1038.42762672040 -0.000000000002 -1038.42762672 8 1.033454507518e+03 -6.093923325305e+03 2.188737484182e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=640284372. IVT= 234108 IEndB= 234108 NGot= 939524096 MDV= 308756673 LenX= 308756673 LenY= 308685476 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= 35511 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.818922 -18.815792 -18.815656 -18.771523 -18.769946 -18.752455 -10.074591 -10.038795 -9.988746 -9.960483 -9.959236 -9.949338 -9.923294 -9.907768 -9.898152 -9.896748 -9.892310 -9.881254 -9.880922 -9.877608 -9.875937 -1.051827 -1.016499 -0.970575 -0.944006 -0.941784 -0.919943 -0.743948 -0.730019 -0.712725 -0.693924 -0.685747 -0.642506 -0.631771 -0.608681 -0.582416 -0.560596 -0.543164 -0.529588 -0.519968 -0.507782 -0.499741 -0.487270 -0.480406 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0.348981 0.368254 0.374115 0.376226 0.379325 0.382465 0.396565 0.403939 0.412894 0.422192 0.423139 0.431830 0.440827 0.446463 0.458776 0.465846 0.471240 0.476713 0.485147 0.490601 0.496670 0.499991 0.518242 0.522173 0.524102 0.555312 0.563734 0.606746 0.646372 0.654688 0.665526 0.702753 0.723185 0.746199 0.763796 0.781936 0.801647 0.822785 0.826778 0.847046 0.857806 0.864711 0.871473 0.882073 0.896103 0.900594 0.905301 0.909781 0.926049 0.931097 0.947012 0.952406 0.964499 0.975219 0.977793 0.998258 1.000751 1.009701 1.019088 1.038508 1.042716 1.061021 1.067860 1.076821 1.082107 1.087551 1.092035 1.102151 1.105164 1.125180 1.129683 1.137676 1.145853 1.149466 1.160954 1.177610 1.189265 1.193296 1.208358 1.236106 1.258020 1.273238 1.287815 1.329331 1.371092 1.386818 1.400517 1.424519 1.477766 1.656137 1.675435 1.722214 1.728069 1.768154 1.791711 22.349573 22.398492 22.463048 22.479512 22.521804 22.553045 22.560138 22.592206 22.611457 22.615961 22.619578 22.655079 22.660878 22.669147 22.683150 41.486567 41.496778 41.524003 41.535520 41.541440 41.551747 29.115254 29.115744 29.115591 29.116796 29.116860 29.118132 15.957754 15.956462 15.958418 15.958759 15.958106 15.958795 15.958620 15.955702 15.957136 15.958316 15.958849 15.957659 15.958806 15.957408 15.957643 2.426014 2.495859 2.651268 2.816620 2.824323 2.509060 1.572590 1.444673 1.446232 1.549465 1.502447 1.535865 1.580855 1.597103 1.707014 1.609090 1.618007 1.596161 1.218963 1.267500 1.761886 1.683713 1.307075 1.310041 1.467934 1.646680 1.566865 1.686093 1.526191 1.463155 1.505310 1.246922 1.354611 1.358897 1.154841 1.334491 1.235614 1.222663 1.243856 1.413588 1.601187 1.297591 1.206904 1.643229 1.235854 1.830155 1.873053 1.409763 1.247185 1.516553 1.319533 1.415496 1.161921 1.261075 2.274134 2.346478 1.142769 2.228044 2.101661 2.474499 2.379272 2.234550 2.340177 2.550469 2.497002 2.182450 1.112703 1.703571 1.489672 1.509739 1.342988 1.556635 1.218809 1.568197 1.333535 1.147367 1.196209 1.260142 1.457924 1.293604 1.152982 1.342809 1.498451 1.466252 1.200957 1.215985 1.254459 1.225719 1.181265 1.261996 1.092748 1.147834 1.239103 1.465788 1.145683 1.181828 1.495434 1.330658 1.646684 1.315930 1.541704 1.334463 1.508757 1.277598 2.039897 1.679810 1.382494 1.503482 1.799763 1.615272 1.663919 1.544158 1.314799 1.492184 1.816612 1.270334 1.345159 1.410021 1.385787 1.930826 1.652499 1.474869 1.627722 1.692152 1.716441 1.665173 1.908893 1.628250 1.762859 1.811683 1.818479 2.096428 1.819706 1.818852 1.624379 2.083105 1.777837 1.666594 2.010864 1.779028 2.104422 2.140679 2.004692 2.191345 2.614853 2.538231 2.042961 2.336319 2.014857 3.128571 2.291005 2.303749 2.357793 2.145655 1.642886 1.797076 1.962613 2.417659 2.324684 2.551675 2.585660 2.478109 2.551711 2.682251 2.643383 2.753196 2.569381 2.704255 2.729884 2.828515 2.808898 2.729172 2.959470 2.925133 2.875278 2.914512 2.940363 2.992048 2.778678 2.903879 2.832444 2.897969 2.960213 2.964637 2.930789 2.906292 2.828619 2.703847 2.901794 2.766674 2.805826 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1S|2S|43 H 1S|2S|44 H 1S|2S|45 H 1S|2S|46 H 1S|2S|47 H 1S|2S|48 H 1S|2S|49 H 1S|2S 1.13239 0.85939 0.94463 0.90899 1.15256 1.08680 1.17051 0.32401 0.29361 0.39799 1.13239 0.85929 0.95422 0.88716 1.05973 1.10444 1.25622 0.22293 0.30144 0.44691 1.13240 0.85928 0.94935 0.90181 0.99551 1.24072 1.17877 0.16304 0.46490 0.39531 1.13241 0.85924 0.95493 0.90026 1.07430 1.06496 1.27680 0.28093 0.24130 0.45059 1.13255 0.85912 0.97934 0.85206 1.26820 1.03162 1.07331 0.42553 0.37452 0.21775 1.13251 0.85918 0.97009 0.86674 1.15558 1.15418 1.07797 0.33063 0.32482 0.41171 1.17431 0.81425 0.72328 0.62546 0.90948 0.86175 0.88098 0.16783 0.07986 0.10633 1.17427 0.81424 0.72610 0.61395 0.93073 0.88099 0.85992 0.19785 0.09613 0.07497 1.17431 0.81428 0.72466 0.61081 0.91207 0.86974 0.86818 0.18508 0.07713 0.11946 1.17429 0.81423 0.72711 0.60566 0.89553 0.87560 0.89191 0.13245 0.09688 0.15299 1.17447 0.81408 0.74976 0.63678 0.94548 0.68550 0.93621 0.20168 0.06898 0.11774 1.17429 0.81429 0.72201 0.61893 0.88949 0.88204 0.88369 0.13382 0.09733 0.14463 1.17443 0.81410 0.74391 0.63730 0.83507 0.90383 0.83972 0.10645 0.10961 0.11809 1.17426 0.81436 0.72462 0.68762 0.91296 0.86978 0.91759 0.22130 0.14313 0.22826 1.17440 0.81420 0.74701 0.59055 0.88425 0.76562 0.94362 0.13126 0.04863 0.17442 1.17427 0.81435 0.72465 0.68906 0.90816 0.88624 0.90320 0.21657 0.17242 0.20812 1.17445 0.81410 0.75142 0.62195 0.79924 0.92988 0.85142 0.07889 0.11857 0.13730 1.17444 0.81398 0.74685 0.58977 0.69470 0.93199 0.92327 0.03695 0.07210 0.11514 1.17465 0.81393 0.80873 0.23632 0.81466 0.72902 0.88995 0.05827 0.16600 0.05196 1.17421 0.81429 0.72657 0.70468 0.94129 0.83826 0.94359 0.21401 0.11147 0.23540 1.17450 0.81421 0.80906 0.13778 0.83603 0.83353 0.78583 0.06292 0.07723 0.14054 0.51330 0.29732 0.51322 0.28957 0.51066 0.25721 0.51152 0.27339 0.51386 0.28527 0.51351 0.28714 0.51158 0.28662 0.51237 0.28793 0.51074 0.26183 0.51543 0.25434 0.51408 0.29968 0.51216 0.25969 0.51597 0.23577 0.51548 0.30888 0.51085 0.27994 0.51049 0.27666 0.51103 0.26970 0.51027 0.29529 0.51274 0.27012 0.51264 0.27280 0.50368 0.23346 0.51166 0.27619 0.51140 0.27994 0.51094 0.27779 0.50892 0.22659 0.50660 0.24622 0.50673 0.26445 0.50752 0.24805 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 47 48 49 O O O O O O 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 H H -0.270877 -0.224726 -0.281103 -0.235722 -0.214000 -0.283420 -0.343535 -0.369132 -0.355725 -0.366651 -0.330704 -0.360530 -0.282506 -0.693876 -0.273951 -0.697042 -0.277209 -0.099198 0.256509 -0.703762 0.328368 0.189380 0.197210 0.232125 0.215093 0.200873 0.199347 0.201801 0.199702 0.227435 0.230234 0.186245 0.228144 0.248258 0.175633 0.209212 0.212849 0.219268 0.194440 0.217136 0.214552 0.262859 0.212148 0.208658 0.211276 0.264488 0.247176 0.228823 0.244429 0.00000 -1.76322079e-01 -1.04094405e-01 -7.47534765e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.4482 -0.2646 -1.9000 1.9700 -117.5481 -122.5493 -127.2283 16.0825 4.8934 5.4992 4.8938 -0.1074 -4.7864 16.0825 4.8934 5.4992 17.1294 3.2743 53.1040 -25.0603 -4.2545 17.0086 16.7582 10.3261 -6.7277 0.0405 -4421.3437 -4968.5143 -1388.2779 -457.3191 -367.9418 -651.4869 -663.7591 -397.2845 -712.0117 -1621.6322 -1029.4134 -1056.4275 -302.3694 -127.2760 -238.5837 0 -1038.4276267 9.154E-9 9.022E-6 3.6383986,-0.0798361,-3.5585625,11.9569135,3.638093,4.0885328 C01 [X(C15H28O6)] -0.1763221 -0.1040944 -0.7475348 @ -0.000000098 0.000001789 0.000003134 0.000008785 0.000009087 0.000002960 -0.000023970 0.000014148 0.000002082 0.000002786 -0.000001991 -0.000000968 -0.000011686 -0.000002894 -0.000033123 -0.000001668 0.000003897 0.000002765 -0.000004021 0.000001729 0.000009442 -0.000001090 0.000004063 0.000007235 -0.000003921 -0.000016630 0.000008859 0.000027631 0.000013010 0.000000462 -0.000012184 -0.000027648 0.000003688 -0.000015228 -0.000023645 0.000004660 -0.000006459 -0.000001299 -0.000026750 -0.000003483 -0.000007892 0.000012346 -0.000002478 -0.000007054 -0.000029715 -0.000001040 0.000015240 0.000002944 0.000024582 -0.000006699 -0.000015686 0.000000112 0.000005606 -0.000006380 0.000006888 0.000006429 0.000035614 0.000000090 -0.000003784 -0.000010499 0.000003619 0.000001545 -0.000009927 0.000000878 -0.000002496 0.000007189 0.000002340 -0.000003037 0.000005119 0.000002781 -0.000001362 -0.000000628 0.000001699 0.000001589 0.000004910 -0.000002078 -0.000002852 0.000003528 -0.000001528 -0.000000427 0.000001419 -0.000000043 0.000002014 -0.000005373 -0.000004696 0.000000890 0.000003670 0.000003926 0.000009933 0.000004885 0.000001053 -0.000000856 0.000006922 0.000007035 0.000004761 0.000000063 -0.000000863 0.000007801 0.000000776 0.000003099 -0.000001792 -0.000001886 0.000002209 0.000006398 0.000006003 0.000000230 -0.000001436 0.000008718 -0.000002718 0.000000063 0.000009284 -0.000006195 -0.000005510 0.000011042 0.000005078 -0.000000392 -0.000005624 -0.000000537 -0.000000177 -0.000008402 -0.000003676 0.000000063 -0.000007566 -0.000005703 0.000000244 -0.000005246 -0.000001302 -0.000005535 0.000007627 0.000004344 0.000001501 0.000011130 -0.000002317 0.000000844 0.000003023 0.000004175 0.000001582 -0.000002625 0.000000773 0.000003569 -0.000004321 0.000002231 0.000004459 -0.000009380 0.000002636 0.000003155 -0.000007397 276.15689999999984 AuxInfo=1/0/N:14,16,20,9,12,7,10,8,13,11,15,17,18,19,21,5,6,1,3,2,4/CRV:14.3,15.3,16.1,17.1/rA:49OOOOO1O1CCCCCCCCCCCCC3CC3HHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7;;s2s8;s10;s1s10;s9;s1;s12;s3s15;s4;s3s5s18;s18;s2s4s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s17;s17;s16;s16;s16;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2024 CBGUSER 000222215 EM64L-G09RevD.01 1-Dec-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 141 C1[X(C15H28O6)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 276.15689999999984 0 1 AuxInfo=1/0/N:14,16,20,9,12,7,10,8,13,11,15,17,18,19,21,5,6,1,3,2,4/CRV:14.3,15.3,16.1,17.1/rA:49OOOOO1O1CCCCCCCCCCCCC3CC3HHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7;;s2s8;s10;s1s10;s9;s1;s12;s3s15;s4;s3s5s18;s18;s2s4s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s17;s17;s16;s16;s16;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-22370.inp" -scrdir="/scratch/" chk=000222215-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 000222215 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 16 16 16 16 16 16 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 1 1 15.9949146 15.9949146 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 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 1.0078250 1.0078250 0 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 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 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| 0.000340 0.000076 0.102744 0.024664 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.606618e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1833.3037164806 266 616 266 83 83 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 49 49 49 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 0 0 0 276.15689999999984 AuxInfo=1/0/N:14,16,20,9,12,7,10,8,13,11,15,17,18,19,21,5,6,1,3,2,4/CRV:14.3,15.3,16.1,17.1/rA:49OOOOO1O1CCCCCCCCCCCCC3CC3HHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7;;s2s8;s10;s1s10;s9;s1;s12;s3s15;s4;s3s5s18;s18;s2s4s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s17;s17;s16;s16;s16;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 6.628832 0.000000 3.225241 5.335462 0.000000 5.870637 2.232299 3.639709 0.000000 4.116407 4.141922 2.345472 2.861576 0.000000 4.532833 2.349110 3.652653 2.345251 3.317946 0.000000 7.125451 3.879673 7.550406 5.776114 6.213668 4.418430 0.000000 6.445009 2.502640 6.326756 4.305828 4.851760 3.285201 1.547610 0.000000 7.195809 5.072753 8.047261 6.744101 6.568713 5.391405 1.545869 2.570347 0.000000 2.421526 5.872164 4.694764 5.939669 4.967311 3.881640 5.363592 5.103605 5.481826 0.000000 6.836375 1.501939 6.224252 3.620354 5.058428 2.781412 2.547203 1.532404 3.928822 5.561524 0.000000 3.822870 5.428540 5.483370 5.915364 5.668113 3.604570 4.645981 4.615555 5.054082 1.547390 4.849494 0.000000 1.480956 5.710404 3.340950 5.217865 4.176875 3.471535 6.196392 5.579962 6.503425 1.530791 5.783998 2.555309 0.000000 8.201167 6.414760 9.384900 8.176486 8.040634 6.655272 2.573405 3.951779 1.543677 6.252616 5.120187 5.675160 7.473657 0.000000 1.458152 7.038624 2.489048 5.823162 4.006725 4.973804 8.180511 7.300958 8.359824 3.772005 7.522575 5.023852 2.476878 9.472153 0.000000 4.989020 6.094853 6.877984 6.998424 6.736399 4.708002 4.216023 4.691385 4.369426 2.568513 5.178740 1.544154 3.931148 4.611411 6.322320 0.000000 2.510810 6.406175 1.497780 4.920898 2.831736 4.667848 8.048852 6.947471 8.279146 4.563883 7.134269 5.705457 3.287530 9.556845 1.533423 7.000629 0.000000 5.106258 3.596374 2.380395 1.485673 2.488410 2.739710 6.787065 5.374108 7.629523 5.696779 4.833260 5.932744 4.645884 9.047770 4.753691 7.223186 3.795160 0.000000 3.941009 4.180513 1.393613 2.476534 1.246409 2.957427 6.658501 5.303093 7.212399 4.900865 5.195958 5.502827 3.830054 8.639766 3.594790 6.766295 2.478239 1.539036 0.000000 6.279945 4.627231 3.171627 2.406821 3.336799 4.229283 8.102224 6.624714 8.943631 7.155394 6.022720 7.453358 6.010594 10.403273 5.655926 8.755437 4.490005 1.532805 2.540024 0.000000 5.488165 1.370871 4.024291 1.387243 3.201718 1.255046 4.524698 3.147489 5.577906 5.030120 2.423071 4.782461 4.598119 6.944879 5.773560 5.745604 5.162275 2.413992 2.977835 3.686954 0.000000 8.197453 4.189014 8.434878 6.286764 7.038510 5.151054 1.110051 2.192073 2.179812 6.423906 2.797166 5.597637 7.226049 2.805253 9.214178 5.107002 9.025348 7.438544 7.468308 8.672054 5.083336 0.000000 6.839965 4.166736 7.496569 5.964462 6.482465 4.253789 1.109987 2.185358 2.175780 4.843022 2.770204 3.884333 5.768533 2.790337 7.954795 3.352756 8.007391 6.852442 6.760637 8.253933 4.615038 1.779695 0.000000 5.368001 2.736491 5.448396 4.020553 4.044965 2.740051 2.178800 1.106334 2.790962 4.146637 2.164573 3.897695 4.584203 4.226642 6.251064 4.157650 5.947208 4.839845 4.523828 6.179576 2.877707 3.100505 2.534778 0.000000 7.018226 2.732375 6.667367 4.453982 4.875006 3.972146 2.188971 1.106701 2.821905 5.922048 2.167212 5.609080 6.319326 4.263522 7.788113 5.677657 7.253843 5.613851 5.509265 6.700589 3.551132 2.543487 3.102993 1.783644 0.000000 7.708479 5.204551 8.323044 6.853491 6.589539 5.844594 2.179340 2.801005 1.108747 6.243754 4.229341 5.971084 7.145832 2.182951 8.786865 5.404670 8.538462 7.812167 7.372062 9.013668 5.827681 2.530538 3.091138 3.120191 2.597867 0.000000 6.238387 5.170490 7.355878 6.541368 5.974552 5.057865 2.176072 2.782084 1.108997 4.599302 4.198835 4.405515 5.660972 2.182265 7.445993 3.798215 7.441275 7.239238 6.637530 8.594025 5.407843 3.091778 2.528880 2.543568 3.132076 1.774399 0.000000 2.632984 5.617988 4.772755 5.807515 4.546988 3.912937 4.838828 4.560009 4.743501 1.107714 5.284607 2.185885 2.154071 5.609897 4.010249 2.787130 4.541129 5.700586 4.758271 7.139876 4.900640 5.940291 4.510514 3.542772 5.253395 5.402375 3.771083 0.000000 2.628741 6.975232 5.423500 7.010740 5.863330 4.973856 6.188967 6.085979 6.140714 1.107688 6.610813 2.192928 2.164741 6.726212 4.013736 2.833822 5.064018 6.675117 5.802320 8.093515 6.132965 7.247637 5.616965 5.142271 6.894992 6.933407 5.206388 1.779391 0.000000 6.534963 2.129390 6.146128 3.898279 5.374395 2.504159 2.803300 2.190319 4.236918 5.066239 1.105430 4.135345 5.321290 5.255550 7.268995 4.520483 7.077167 4.908435 5.313034 6.207199 2.576089 3.148863 2.567245 2.532724 3.096981 4.780613 4.409454 4.991520 6.084345 0.000000 7.937904 2.053760 7.205035 4.273625 5.969838 3.788903 2.867958 2.199570 4.302681 6.616912 1.101777 5.811250 6.872626 5.348321 8.604826 6.001797 8.168598 5.611813 6.120687 6.653167 3.258986 2.671107 3.200801 3.097978 2.513969 4.486466 4.809160 6.336085 7.646902 1.811577 0.000000 4.147323 6.030203 5.763907 6.369873 6.327281 4.077083 5.537965 5.510990 6.061579 2.183217 5.514828 1.109525 2.812661 6.587520 5.206556 2.179926 6.047721 6.258653 5.965902 7.738928 5.301809 6.408890 4.679016 4.859851 6.541044 7.009744 5.473620 3.099486 2.528700 4.659510 6.429642 0.000000 4.110503 4.354666 5.083208 4.951238 5.081478 2.612066 4.017190 3.773502 4.699097 2.176234 3.816477 1.107567 2.751363 5.514878 5.148830 2.187090 5.557920 5.130665 4.889402 6.659455 3.752544 4.924316 3.321442 3.128087 4.792423 5.550807 4.190649 2.549132 3.098351 3.085084 4.793302 1.776427 0.000000 2.142140 4.704058 2.680329 4.113010 3.333704 2.458244 5.714387 4.883849 6.193952 2.177547 4.945440 2.805558 1.105679 7.315874 2.761009 4.223225 3.050320 3.602463 2.904621 5.024802 3.531650 6.693874 5.388121 3.926273 5.578167 6.756245 5.455443 2.505332 3.087400 4.560131 6.030734 3.176329 2.543016 0.000000 2.124000 6.277149 3.701669 5.690532 4.985515 3.942131 6.922728 6.356562 7.349054 2.191808 6.362840 2.828335 1.113565 8.234079 2.740508 4.276739 3.769315 4.998553 4.407667 6.298436 5.115261 7.904658 6.370110 5.437205 7.169844 8.062866 6.559683 3.092548 2.532288 5.754141 7.416179 2.629854 3.110798 1.800505 0.000000 9.166092 6.648678 10.139887 8.584439 8.723924 7.198749 2.840755 4.284320 2.199101 7.199390 5.291746 6.496941 8.368773 1.106452 10.399083 5.450124 10.417150 9.583145 9.310467 10.890994 7.360508 2.619662 3.151670 4.800782 4.493263 2.552111 3.109350 6.598673 7.722491 5.488745 5.290171 7.354615 6.233083 8.130418 9.097296 0.000000 7.957950 6.623790 9.355024 8.336121 8.263271 6.572909 2.841591 4.273057 2.197992 5.819364 5.270506 5.086247 7.132599 1.106627 9.283026 3.851905 9.529211 9.118726 8.734669 10.543514 7.031674 3.173660 2.604427 4.444759 4.823822 3.108925 2.545423 5.333656 6.205465 5.170967 5.572567 5.900287 5.053066 7.078124 7.786370 1.786838 0.000000 8.482311 7.266832 9.873247 8.912999 8.471390 7.425736 3.536300 4.766990 2.202178 6.641101 6.058915 6.260443 7.916405 1.105328 9.784912 5.140756 9.892885 9.717427 9.165719 11.058585 7.735076 3.819216 3.807608 4.910244 4.950559 2.527918 2.530683 5.907013 6.994796 6.242323 6.330615 7.204979 6.228834 7.849246 8.728724 1.786778 1.786669 0.000000 2.134558 7.213480 2.605235 5.908621 4.571825 5.034225 8.584368 7.706366 8.920732 4.075287 7.728349 5.109488 2.632956 10.004520 1.111625 6.521378 2.177283 4.735877 3.876450 5.593567 5.887147 9.581980 8.257889 6.711230 8.279950 9.421678 8.061903 4.560499 4.307429 7.355488 8.789837 5.065828 5.217008 2.899669 2.442357 10.895726 9.733751 10.402532 0.000000 2.048045 8.067065 3.399902 6.837343 4.786681 6.046648 9.030527 8.203454 9.070957 4.446197 8.530315 5.818227 3.347147 10.133984 1.106610 7.009715 2.143049 5.741794 4.508298 6.520521 6.826118 10.089915 8.821772 7.126717 8.647273 9.470430 8.097320 4.625342 4.457982 8.301987 9.617915 5.992271 6.070998 3.794376 3.564956 11.106464 9.949694 10.348830 1.799414 0.000000 3.429092 7.238077 2.084632 5.545318 3.497232 5.609343 9.095053 7.940428 9.320268 5.619336 8.081858 6.774819 4.306467 10.619655 2.182805 8.086658 1.105444 4.291225 3.110639 4.635718 5.991829 10.052438 9.085247 6.965911 8.180163 9.526703 8.486369 5.615094 6.042805 8.058949 9.085735 7.056585 6.632696 4.103989 4.653030 11.474998 10.617799 10.933170 2.620359 2.381448 0.000000 2.645777 6.189044 2.130707 4.908067 2.345704 4.677460 7.559140 6.466909 7.639833 4.499664 6.856810 5.706431 3.502867 8.943423 2.186326 6.844694 1.103895 4.030371 2.519533 4.778054 5.078038 8.545215 7.634884 5.448770 6.662171 7.803843 6.781472 4.210228 5.033184 6.931425 7.883092 6.235486 5.545388 3.235420 4.245749 9.813865 9.012668 9.203836 3.086435 2.624351 1.813545 0.000000 5.135954 5.809884 6.941964 6.862250 6.436131 4.710864 3.475711 4.052456 3.369325 2.839899 4.830715 2.197917 4.241826 3.667124 6.501590 1.107229 7.010768 7.213379 6.664504 8.729607 5.603200 4.429365 2.795203 3.528717 4.940048 4.381689 2.728687 2.605354 3.215579 4.384740 5.635420 3.106854 2.545742 4.414466 4.826183 4.591625 3.042110 4.139020 6.864170 7.166610 8.109264 6.684802 0.000000 5.940179 6.153143 7.561273 7.279992 7.413251 4.989191 4.127725 4.794676 4.507095 3.534503 5.083718 2.203999 4.752215 4.561955 7.207041 1.106121 7.843781 7.635707 7.378918 9.160948 5.959598 4.838333 3.100532 4.493901 5.837029 5.596259 4.194290 3.813640 3.841480 4.311652 5.763395 2.521170 2.544525 4.922202 4.965575 5.227631 3.680748 5.236337 7.305225 7.955609 8.929875 7.736008 1.789746 0.000000 5.142104 7.164569 7.444155 7.951650 7.450360 5.662519 5.174907 5.717300 5.109153 2.826176 6.276460 2.199899 4.266442 5.152854 6.526192 1.106459 7.387275 8.054732 7.483305 9.577976 6.747512 6.056906 4.342154 5.132687 6.659191 6.132055 4.456520 3.125517 2.641355 5.625052 7.099703 2.553364 3.112715 4.798411 4.518342 6.042971 4.320493 5.505498 6.732011 7.074673 8.440830 7.248485 1.785163 1.787401 0.000000 4.931126 3.912664 2.454602 2.124585 3.275502 2.591755 6.949418 5.661103 7.879366 5.405048 4.981231 5.513733 4.277905 9.207395 4.585092 6.896957 3.934096 1.103878 2.156926 2.198413 2.637189 7.613909 6.839190 5.117217 6.089083 8.204601 7.475809 5.620320 6.345188 4.810462 5.784113 5.658811 4.746707 3.288667 4.403960 9.755584 9.147542 9.927297 4.333842 5.628649 4.470867 4.390319 7.053629 7.248350 7.698532 0.000000 6.686269 4.737010 3.652580 2.651378 3.187625 4.703083 8.160292 6.632583 8.902234 7.602992 6.174940 7.978733 6.547965 10.409321 6.096672 9.191124 4.767421 2.178163 2.787239 1.102685 3.990863 8.700582 8.454404 6.223734 6.527974 8.837563 8.576242 7.432094 8.553008 6.541066 6.751225 8.388517 7.174267 5.558010 6.981908 10.875541 10.661712 11.008330 6.210067 6.887154 4.860776 4.837610 9.037665 9.636506 10.027086 3.108267 0.000000 6.161169 5.610352 2.943468 3.380734 3.722506 4.871852 8.932460 7.488154 9.711084 7.350288 6.945919 7.786896 6.056096 11.155491 5.307999 9.172933 4.153291 2.171802 2.795730 1.103243 4.547733 9.571268 9.020962 6.937769 7.614845 9.821732 9.268693 7.414424 8.195982 7.041205 7.640651 7.987520 7.103731 5.187120 6.239323 11.709858 11.246079 11.772917 5.154287 6.077626 4.075543 4.627607 9.217656 9.642467 9.911335 2.540650 1.798256 0.000000 7.137876 4.685205 4.102262 2.635570 4.297811 4.565830 8.391540 6.933919 9.376756 7.811590 6.111394 7.923097 6.706272 10.806629 6.556862 9.209882 5.494875 2.169343 3.492797 1.102477 3.909288 8.852547 8.517338 6.633824 7.027941 9.462771 9.131930 7.861389 8.779169 6.264106 6.605025 8.134474 7.056715 5.692858 6.896749 11.208688 10.929378 11.537708 6.378484 7.462124 5.652487 5.830409 9.232073 9.498202 10.082950 2.533191 1.791785 1.794392 0.000000 C15H28O6 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 0 0 0 276.15689999999984 AuxInfo=1/0/N:14,16,20,9,12,7,10,8,13,11,15,17,18,19,21,5,6,1,3,2,4/CRV:14.3,15.3,16.1,17.1/rA:49OOOOO1O1CCCCCCCCCCCCC3CC3HHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7;;s2s8;s10;s1s10;s9;s1;s12;s3s15;s4;s3s5s18;s18;s2s4s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s17;s17;s16;s16;s16;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3143781 0.1841828 0.1325860 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= 16653 NPrTT= 83146 LenC2= 14401 LenP2D= 43558. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 266 RedAO= T EigKep= 2.60D-03 NBF= 266 NBsUse= 266 1.00D-06 EigRej= -1.00D+00 NBFU= 266 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= 256 256 256 256 256 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 0 1 -1037.88011079270 -1038.05005350042 -0.169942707722 -1038.16131112919 -0.111257628763 -1037.26896399523 0.892347133957 -1038.35449101525 -1.085527020021 -1038.40191584741 -0.047424832162 -1038.42677646656 -0.024860619145 -1038.42765139453 -0.000874927976 -1038.42768296588 -0.000031571349 -1038.42770592872 -0.000022962839 -1038.42757176736 0.000134161365 -1038.42757172154 0.000000045817 -1038.42757203560 -0.000000314058 -1038.42757210495 -0.000000069354 -1038.42757215175 -0.000000046801 -1038.42757215261 -0.000000000859 -1038.42757215266 -0.000000000051 -1038.42757215266 0.000000000000 -1038.42757215 18 1.033454737478e+03 -6.093923676174e+03 2.188737650062e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=640284820. IVT= 234556 IEndB= 234556 NGot= 939524096 MDV= 308756225 LenX= 308756225 LenY= 308685028 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= 35511 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= 49. Will process 50 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111111 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= 939523336 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=640064497. 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= 35511 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 150 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 147 vectors produced by pass 0 Test12= 1.52D-14 1.00D-09 XBig12= 1.85D+02 3.23D+00. AX will form 147 AO Fock derivatives at one time. 147 vectors produced by pass 1 Test12= 1.52D-14 1.00D-09 XBig12= 1.05D+02 2.94D+00. 147 vectors produced by pass 2 Test12= 1.52D-14 1.00D-09 XBig12= 4.10D-01 7.21D-02. 147 vectors produced by pass 3 Test12= 1.52D-14 1.00D-09 XBig12= 8.08D-05 7.90D-04. 70 vectors produced by pass 4 Test12= 1.52D-14 1.00D-09 XBig12= 4.05D-09 5.48D-06. 4 vectors produced by pass 5 Test12= 1.52D-14 1.00D-09 XBig12= 3.88D-13 6.44D-08. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 662 with 150 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 185.63 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 221.711 -1.404 185.843 -1.709 1.353 149.337 302.458 -15.628 298.096 10.362 -11.348 263.059 (Enter /mnt/data/applications/G09/g09/l716.exe) PT4894.900S Fri Dec 1 01:41:38 2017 -18.81893 -18.81578 -18.81566 -18.77152 -18.76994 -18.75244 -10.07460 -10.03879 -9.98875 -9.96049 -9.95923 -9.94933 -9.92329 -9.90777 -9.89816 -9.89675 -9.89231 -9.88125 -9.88092 -9.87761 -9.87594 -1.05183 -1.01650 -0.97058 -0.94400 -0.94178 -0.91994 -0.74395 -0.73002 -0.71272 -0.69392 -0.68575 -0.64251 -0.63177 -0.60868 -0.58242 -0.56060 -0.54316 -0.52959 -0.51997 -0.50778 -0.49974 -0.48727 -0.48041 -0.44510 -0.43618 -0.42996 -0.42542 -0.42290 -0.41153 -0.40496 -0.40336 -0.40025 -0.38745 -0.37969 -0.37411 -0.37289 -0.36569 -0.36293 -0.35553 -0.35182 -0.34743 -0.34379 -0.33380 -0.32926 -0.32702 -0.31472 -0.30599 -0.30316 -0.29910 -0.29206 -0.28996 -0.28461 -0.28166 -0.27917 -0.27318 -0.27195 -0.26791 -0.25898 -0.25193 -0.24799 -0.23724 -0.19609 -0.05807 -0.03219 0.01925 0.03978 0.05416 0.06137 0.06628 0.08341 0.09257 0.09357 0.10267 0.10440 0.10678 0.11343 0.11769 0.12428 0.12652 0.13179 0.13705 0.14040 0.14412 0.14799 0.15315 0.15864 0.16050 0.16511 0.16713 0.17009 0.17446 0.17563 0.17896 0.17992 0.18313 0.18672 0.18917 0.19245 0.19634 0.20028 0.20463 0.20967 0.21809 0.21949 0.22471 0.22972 0.23845 0.24241 0.24558 0.24669 0.25023 0.25788 0.26306 0.26733 0.27061 0.27468 0.27732 0.28623 0.29055 0.29457 0.29864 0.30786 0.31765 0.32227 0.32554 0.33200 0.33303 0.34001 0.34643 0.34898 0.36825 0.37412 0.37622 0.37931 0.38247 0.39658 0.40396 0.41291 0.42222 0.42314 0.43183 0.44083 0.44647 0.45879 0.46587 0.47122 0.47670 0.48515 0.49060 0.49670 0.49998 0.51825 0.52218 0.52409 0.55532 0.56376 0.60673 0.64638 0.65468 0.66554 0.70276 0.72319 0.74621 0.76379 0.78194 0.80163 0.82278 0.82677 0.84705 0.85781 0.86472 0.87145 0.88207 0.89610 0.90061 0.90529 0.90978 0.92606 0.93108 0.94701 0.95241 0.96450 0.97522 0.97780 0.99826 1.00075 1.00970 1.01909 1.03851 1.04272 1.06102 1.06786 1.07682 1.08211 1.08755 1.09203 1.10215 1.10516 1.12518 1.12968 1.13767 1.14585 1.14946 1.16095 1.17761 1.18927 1.19330 1.20836 1.23611 1.25802 1.27324 1.28782 1.32932 1.37110 1.38681 1.40052 1.42451 1.47776 1.65614 1.67546 1.72223 1.72808 1.76815 1.79169 22.34957 22.39849 22.46306 22.47951 22.52180 22.55305 22.56013 22.59221 22.61146 22.61596 22.61958 22.65507 22.66088 22.66914 22.68315 41.48656 41.49679 41.52401 41.53553 41.54144 41.55176 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 47 48 49 O O O O O O 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 H H -0.270907 -0.224705 -0.281151 -0.235694 -0.214052 -0.283424 -0.343421 -0.369273 -0.355768 -0.366628 -0.330650 -0.360495 -0.282469 -0.693786 -0.273938 -0.697030 -0.277094 -0.099213 0.256633 -0.703759 0.328287 0.189368 0.197174 0.232135 0.215133 0.200863 0.199353 0.201777 0.199692 0.227427 0.230239 0.186233 0.228118 0.248252 0.175647 0.209194 0.212831 0.219244 0.194436 0.217132 0.214504 0.262791 0.212130 0.208662 0.211272 0.264484 0.247188 0.228829 0.244429 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 O O O O O O C C C C C C C C C C C C C C C -0.270907 -0.224705 -0.281151 -0.235694 -0.214052 -0.283424 0.043122 0.077995 0.044447 0.034841 0.127016 0.053856 0.141431 -0.052516 0.137629 -0.064966 0.200201 0.165270 0.256633 0.016687 0.328287 0.00000 -3.97611168e-01 -2.64966758e-02 -6.64673873e-01 2.21710928e+02 -1.40444862e+00 1.85843283e+02 -1.70911998e+00 1.35347349e+00 1.49337218e+02 -23.9305 -6.1241 -0.9560 -0.0007 -0.0006 -0.0006 9.4507 17.4603 22.2538 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -17.6545 15.7562 21.8821 28.8980 34.6612 39.4012 50.7888 59.3131 70.4004 86.2894 90.6571 100.6452 111.2110 116.6762 121.2685 136.6970 149.7914 157.3996 180.7819 217.4001 231.8440 232.0845 237.1058 263.0312 278.6259 296.8447 306.6886 321.5844 329.8374 357.0814 362.4071 393.1021 434.4059 473.4801 484.8714 564.0595 649.7695 660.4178 689.4220 704.1845 731.3255 745.5678 764.6283 774.0114 809.0395 819.4338 833.8051 841.5864 861.0887 880.6264 900.5446 903.5030 932.8377 939.5260 970.5681 999.1506 1005.4049 1015.2008 1034.8564 1041.9691 1059.8686 1068.1218 1073.4199 1074.9732 1084.6861 1097.5981 1109.7242 1119.2465 1127.4928 1138.2972 1145.0752 1167.0979 1201.5263 1209.9432 1214.0570 1224.7293 1252.2628 1263.6531 1269.4099 1280.1110 1282.0966 1288.5048 1291.0766 1292.2403 1295.4277 1320.1561 1323.9723 1351.5424 1352.3549 1352.9306 1357.3694 1373.6432 1384.3019 1389.9664 1390.5840 1392.4653 1437.4963 1447.7362 1453.6543 1463.7055 1464.4228 1468.9853 1471.8582 1475.1288 1475.9112 1477.1368 1479.4488 1480.0125 1487.5050 1488.3422 1498.7644 1608.3651 1661.0727 2931.9493 2954.5675 2957.5353 2966.7194 2970.5071 2971.2805 2972.4302 2985.8955 2995.8323 2998.7649 3005.7492 3011.8319 3018.3548 3022.7412 3026.2116 3035.0578 3043.1373 3051.4124 3055.8746 3057.1296 3064.5883 3068.5726 3070.2952 3073.5435 3094.5804 3109.6304 3111.3917 3115.1918 2.0892 3.6133 3.5416 5.9466 3.3483 2.8132 3.6507 2.4271 3.1238 5.8512 3.9930 4.1717 3.0091 2.0563 1.9524 3.6426 3.1872 3.7398 3.1768 1.1760 1.1138 4.4162 1.1396 3.4020 3.6911 2.7241 3.7154 5.8941 3.1099 5.6964 3.5085 3.9261 3.0385 3.6708 2.2570 4.7542 5.6468 5.3960 5.5080 9.4372 1.0715 1.0718 1.1267 3.3958 1.1406 3.6610 2.7069 2.7828 2.0836 2.7725 1.9677 1.9946 2.7576 1.1701 1.2020 2.9706 2.6240 3.5966 3.2307 2.6574 2.7679 3.5145 2.8143 2.7522 2.2891 2.9589 3.4575 2.4995 2.6514 2.1978 1.4557 1.8077 4.2760 1.3770 1.3825 1.1445 1.2743 1.1690 1.2028 1.1743 1.1866 1.0602 1.1228 1.4403 1.1960 1.3269 1.3225 1.4179 1.3771 1.5161 1.3143 1.3574 1.2506 1.2150 1.2311 1.3190 1.0916 1.0872 1.1057 1.0461 1.0649 1.0761 1.0792 1.0461 1.0534 1.0455 1.0635 1.0530 1.0857 1.0848 1.0869 9.2562 10.0881 1.0665 1.0631 1.0582 1.0369 1.0609 1.0579 1.0374 1.0596 1.0605 1.0976 1.0348 1.0601 1.0967 1.0605 1.1024 1.0961 1.0970 1.0857 1.1009 1.1029 1.1000 1.1011 1.1014 1.0991 1.1065 1.1072 1.1003 1.1013 0.0004 0.0005 0.0010 0.0029 0.0024 0.0026 0.0055 0.0050 0.0091 0.0257 0.0193 0.0249 0.0219 0.0165 0.0169 0.0401 0.0421 0.0546 0.0612 0.0327 0.0353 0.1401 0.0377 0.1387 0.1688 0.1414 0.2059 0.3591 0.1993 0.4279 0.2715 0.3575 0.3378 0.4849 0.3126 0.8912 1.4046 1.3866 1.5425 2.7572 0.3377 0.3510 0.3881 1.1986 0.4399 1.4483 1.1088 1.1613 0.9102 1.2668 0.9402 0.9593 1.4138 0.6086 0.6671 1.7473 1.5628 2.1840 2.0385 1.6999 1.8319 2.3624 1.9106 1.8738 1.5868 2.1003 2.5087 1.8448 1.9859 1.6778 1.1246 1.4508 3.6371 1.1877 1.2006 1.0114 1.1774 1.0998 1.1419 1.1338 1.1492 1.0371 1.1027 1.4171 1.1825 1.3625 1.3658 1.5260 1.4839 1.6350 1.4268 1.5091 1.4120 1.3830 1.4026 1.5068 1.3290 1.3426 1.3767 1.3205 1.3455 1.3682 1.3775 1.3412 1.3520 1.3440 1.3715 1.3589 1.4153 1.4159 1.4385 14.1076 16.3998 5.4018 5.4679 5.4537 5.3770 5.5156 5.5029 5.4004 5.5661 5.6077 5.8155 5.5080 5.6660 5.8868 5.7088 5.9485 5.9491 5.9857 5.9563 6.0573 6.0731 6.0867 6.1085 6.1170 6.1174 6.2431 6.3078 6.2761 6.2966 0.4194 0.0383 0.1141 2.7614 0.2402 0.6003 0.3186 0.4621 1.2197 0.3412 1.1041 0.8779 1.6928 2.1013 0.1080 1.5406 1.9136 0.9032 2.8090 0.2797 0.0749 4.3991 0.0851 0.6452 12.7856 3.3952 1.7228 13.7463 2.4764 31.3141 3.4569 1.4637 4.3205 2.4895 12.0498 0.3239 4.5254 4.4070 5.3336 21.6161 15.8867 8.3331 0.5829 1.4026 0.0512 4.8494 4.1739 42.2999 19.6172 35.3658 28.0693 8.4019 23.6217 0.3051 0.5741 34.1169 5.0675 15.8045 3.0664 23.7574 37.9713 62.9099 248.9264 45.1462 36.5890 34.7068 122.3821 20.9380 3.9908 101.5466 17.2971 6.1693 639.4980 1.6899 1.3292 5.3064 5.0692 7.7709 3.0388 5.2823 17.0418 1.0396 4.1590 14.9303 8.9971 8.0353 25.3342 2.7882 5.8045 1.0918 17.8953 3.3900 10.4688 22.7233 7.8968 3.5048 6.1739 17.9023 14.5321 14.9667 0.8689 0.7875 2.0225 2.8448 17.0134 7.4184 6.2666 13.1493 34.3624 1.4883 6.7379 282.6258 142.3158 42.9726 65.2800 9.5820 37.1950 6.4190 68.7661 30.1503 46.0433 16.2617 3.0913 12.6682 29.4185 1.2529 40.8572 27.5114 0.8617 46.1909 4.6722 4.4152 19.2071 64.7186 195.7917 31.0797 49.7404 11.5356 32.5439 15.1748 14.8653 8 8 8 8 8 8 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 1 1 0.04 -0.04 0.06 -0.01 -0.02 0.03 0.00 0.00 0.02 -0.01 0.00 -0.02 0.03 -0.01 -0.02 0.02 -0.03 -0.05 0.01 -0.04 0.05 -0.05 0.06 0.00 -0.10 0.15 -0.04 0.02 -0.04 0.01 0.00 -0.05 0.04 -0.01 0.00 -0.04 0.01 -0.01 0.03 -0.03 0.02 0.02 0.04 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