Gaussian 09 GINC-KIMIK2065 CBGUSER 000093610 EM64L-G09RevD.01 30-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 188.1411999999999 0 1 AuxInfo=1/0/N:15,11,14,13,12,8,9,6,7,4,5,10,3,2,1/CRV:12.3,15.1/rA:37O1NNCCCCCCC3CCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s2s3;s4s5;s2s4;s4;s3s8;s1s2;s3;s10;s12;s13;s14;s4;s5;s6;s6;s7;s7;s8;s8;s9;s9;s11;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-3322.inp" -scrdir="/scratch/" chk=000093610.chk nprocshared=4 mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000093610 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 1 2 2 2 3 3 3 4 4 4 4 5 5 6 6 7 7 8 8 8 9 9 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 10 5 7 10 5 9 11 6 7 8 16 6 17 18 19 20 21 9 22 23 24 25 12 26 27 28 13 29 30 14 31 32 15 33 34 35 36 37 1.2318 1.4701 1.4688 1.3833 1.4786 1.4731 1.4589 1.5305 1.5364 1.5385 1.0938 1.531 1.0954 1.0974 1.0952 1.0938 1.0954 1.5381 1.0962 1.0976 1.0968 1.0983 1.5076 1.0958 1.0954 1.0948 1.5201 1.0953 1.0955 1.5306 1.0978 1.098 1.5209 1.0961 1.0962 1.0946 1.0947 1.0945 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 5 5 7 5 5 9 6 6 6 7 7 8 2 2 2 3 3 6 4 4 4 5 5 18 2 2 2 4 4 20 4 4 4 9 9 22 3 3 3 8 8 24 1 1 2 3 3 3 26 26 27 10 10 10 13 13 29 12 12 12 14 14 31 13 13 13 15 15 33 14 14 14 35 35 36 2 2 2 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 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 7 10 10 9 11 11 7 8 16 8 16 16 3 6 17 6 17 17 5 18 19 18 19 19 4 20 21 20 21 21 9 22 23 22 23 23 8 24 25 24 25 25 2 12 12 26 27 28 27 28 28 13 29 30 29 30 30 14 31 32 31 32 32 15 33 34 33 34 34 35 36 37 36 37 37 109.9601 123.5226 126.3297 113.3294 113.0743 111.0915 101.1353 107.7087 112.9365 111.9429 112.2461 110.4958 111.8995 101.8946 111.3567 107.9986 111.7041 111.5465 99.9535 110.4125 113.8121 110.7388 113.6003 108.1792 103.8575 110.7723 107.9092 113.75 111.1224 109.1979 112.3625 109.9922 108.8919 109.2944 109.1675 106.9817 112.6854 109.6905 110.4718 108.6774 108.6605 106.4448 124.2667 120.3565 115.3767 110.2039 110.8254 112.6405 106.5237 107.8548 108.5591 110.4981 109.2231 108.8342 109.803 109.7485 108.7003 112.7086 109.8526 109.6119 109.181 108.7352 106.5573 111.4175 109.758 109.8255 109.4193 109.0529 107.2721 111.0288 110.9886 110.247 108.3199 108.0589 108.0912 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 7 7 7 10 10 10 5 5 5 10 10 10 5 5 7 7 9 9 9 11 11 11 5 5 5 11 11 11 5 5 5 9 9 9 7 7 7 8 8 8 16 16 16 6 6 6 8 8 8 16 16 16 6 6 6 7 7 7 16 16 16 2 2 2 3 3 3 17 17 17 4 4 4 22 22 22 23 23 23 1 1 1 2 2 2 10 10 10 29 29 29 30 30 30 12 12 12 31 31 31 32 32 32 13 13 13 33 33 33 34 34 34 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 5 5 5 5 5 5 7 7 7 7 7 7 10 10 10 10 5 5 5 5 5 5 9 9 9 9 9 9 11 11 11 11 11 11 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 3 6 17 3 6 17 4 20 21 4 20 21 1 12 1 12 2 6 17 2 6 17 8 24 25 8 24 25 26 27 28 26 27 28 5 18 19 5 18 19 5 18 19 2 20 21 2 20 21 2 20 21 9 22 23 9 22 23 9 22 23 4 18 19 4 18 19 4 18 19 3 24 25 3 24 25 3 24 25 13 29 30 13 29 30 14 31 32 14 31 32 14 31 32 15 33 34 15 33 34 15 33 34 35 36 37 35 36 37 35 36 37 90.8286 -24.3224 -143.3578 -93.8708 150.9782 31.9428 -4.953 -127.4483 113.0675 179.9104 57.4151 -62.0691 5.482 -174.6273 179.9969 -0.1123 -48.365 62.9918 -173.988 79.2031 -169.4401 -46.4199 -43.8205 -165.0347 77.9298 -172.4152 66.3706 -50.6649 171.0255 53.3658 -68.4784 -60.243 -177.9028 60.253 -46.4946 70.1795 -167.9434 71.0634 -172.2625 -50.3854 -166.6448 -49.9707 71.9064 32.1848 152.6908 -83.5904 -82.2417 38.2644 161.9832 152.8247 -86.6693 37.0495 -56.8877 -178.885 64.1789 53.4288 -68.5685 174.4954 179.3258 57.3285 -59.6076 43.4845 -72.9445 165.085 -74.4985 169.0725 47.102 162.3853 45.9563 -76.0142 40.8368 162.6261 -81.9335 163.2297 -74.981 40.4593 -80.0716 41.7177 157.1581 -0.1011 -120.9918 120.4733 -179.9965 59.1128 -59.4221 177.1986 -60.8117 55.9506 -62.2566 59.7331 176.4955 57.1719 179.1615 -64.0761 -176.7833 61.8593 -55.8417 60.8487 -60.5087 -178.2097 -55.0377 -176.3952 65.9038 60.4727 -60.069 -179.8054 -177.9728 61.4854 -58.251 -60.9197 178.5386 58.8022 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 222 222 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 9045 NPrTT= 44932 LenC2= 8323 LenP2D= 27429. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 194 RedAO= T EigKep= 1.98D-03 NBF= 194 NBsUse= 194 1.00D-06 EigRej= -1.00D+00 NBFU= 194 Using GEDIIS/GDIIS optimizer. local minimum Step number 8 out of a maximum of 222 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00322 0.00363 0.00491 0.00539 0.00608 0.00736 0.00865 0.01019 0.01336 0.01491 0.01918 0.02021 0.02950 0.03152 0.03501 0.03570 0.03590 0.03813 0.04127 0.04228 0.04419 0.04564 0.04859 0.04873 0.04932 0.05186 0.05470 0.05534 0.05626 0.05771 0.05852 0.06007 0.06297 0.06930 0.07145 0.07412 0.07512 0.07581 0.08083 0.08098 0.08168 0.08335 0.08375 0.08629 0.09335 0.09594 0.09649 0.11062 0.12174 0.12226 0.13047 0.13571 0.15139 0.15867 0.15996 0.16005 0.16021 0.16029 0.16075 0.17692 0.18716 0.21824 0.21931 0.22678 0.23466 0.24829 0.25685 0.25955 0.26261 0.26659 0.27040 0.27646 0.28322 0.29448 0.30319 0.30593 0.31849 0.32390 0.33612 0.33863 0.33911 0.33945 0.33960 0.34013 0.34086 0.34101 0.34116 0.34134 0.34174 0.34186 0.34200 0.34203 0.34244 0.34265 0.34270 0.34279 0.34307 0.34342 0.34371 0.34422 0.34606 0.35501 0.37825 0.47908 0.83627 RFO step: Lambda=-3.20972280D-08. 1 2 0.00092446 0.00000083 0.00000070 0.00000033 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 2.40763 2.86693 2.81177 2.61751 2.78697 2.80856 2.79788 2.93279 2.94546 2.93556 2.08571 2.91602 2.07947 2.08861 2.08047 2.09338 2.09532 2.92789 2.09199 2.09083 2.09012 2.11684 2.90481 2.08953 2.08362 2.10487 2.91008 2.09885 2.09869 2.91957 2.09090 2.09088 2.91789 2.09753 2.09752 2.09047 2.09050 2.08939 1.92180 2.14537 2.21387 1.95545 2.00198 1.95262 1.77300 1.87757 1.98246 1.95875 1.93838 1.92877 1.98269 1.74951 1.89554 1.91223 1.90653 2.01557 1.73980 1.95085 1.97670 1.93118 1.94701 1.91323 1.79953 1.94883 1.94112 1.95404 1.93328 1.88721 1.94721 1.93389 1.89162 1.89775 1.91619 1.87585 1.96108 1.89377 1.92535 1.91701 1.90099 1.86312 2.12238 2.13866 2.02214 1.90445 1.91447 1.97675 1.89330 1.89589 1.87720 1.96969 1.90494 1.90240 1.91912 1.91967 1.84367 1.96297 1.90653 1.90622 1.91991 1.92053 1.84381 1.96506 1.91096 1.91073 1.90953 1.90969 1.85459 1.93587 1.93587 1.94776 1.87648 1.88251 1.88260 1.55199 -0.48583 -2.60598 -1.65553 2.58983 0.46968 -0.03648 -2.13730 2.03603 -3.10892 1.07345 -1.03640 0.03307 -3.10550 3.09728 -0.04129 -0.82126 1.11900 -2.94034 1.42946 -2.91346 -0.68962 -0.81554 -2.93861 1.30931 -3.09187 1.06825 -0.96702 2.95308 0.88127 -1.21605 -1.07798 3.13340 1.03608 -0.84275 1.19859 -2.91307 1.21735 -3.02449 -0.85297 -2.92539 -0.88405 1.28748 0.54394 2.64118 -1.53403 -1.45677 0.64048 2.74845 2.65765 -1.52829 0.57968 -1.02305 -3.14023 1.08873 0.91283 -1.20435 3.02461 3.08692 0.96975 -1.08448 0.80232 -1.25376 2.89450 -1.28740 2.93971 0.80478 2.83458 0.77850 -1.35642 0.77876 2.88853 -1.35991 2.91681 -1.25661 0.77814 -1.31864 0.79113 2.82588 -0.00906 -2.14840 2.12917 3.12948 0.99014 -1.01548 3.13568 -1.01056 0.99817 -1.01611 1.12083 3.12957 1.00715 -3.13909 -1.13035 3.14061 1.01236 -1.01428 1.01124 -1.11702 3.13953 -1.01316 -3.14142 1.11513 1.04112 -1.04291 3.14064 -3.11300 1.08616 -1.01348 -1.08777 3.11139 1.01175 -0.00001 0.00000 0.00002 0.00003 0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00002 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00002 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 0.00001 -0.00003 0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00002 -0.00001 0.00001 0.00002 0.00001 -0.00001 -0.00002 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 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0.00004 -0.00018 -0.00015 0.00016 0.00009 0.00002 0.00002 0.00007 0.00002 -0.00009 -0.00005 0.00002 -0.00001 0.00004 0.00001 0.00005 -0.00007 -0.00002 0.00001 0.00006 -0.00004 -0.00014 0.00011 0.00000 0.00003 0.00003 -0.00003 -0.00001 -0.00004 0.00003 0.00008 0.00004 -0.00013 0.00005 0.00000 -0.00001 0.00009 -0.00005 -0.00009 -0.00008 -0.00025 0.00013 0.00001 0.00018 0.00003 -0.00008 -0.00005 0.00008 0.00005 -0.00002 0.00003 0.00001 -0.00009 0.00003 -0.00001 0.00005 0.00000 0.00003 -0.00003 -0.00001 -0.00001 0.00001 0.00001 -0.00018 -0.00028 -0.00015 -0.00027 -0.00036 -0.00024 0.00028 0.00021 0.00020 0.00038 0.00030 0.00029 -0.00008 -0.00010 -0.00018 -0.00020 -0.00022 -0.00032 -0.00011 0.00023 0.00013 0.00034 0.00028 0.00026 0.00023 -0.00027 -0.00029 -0.00032 -0.00078 -0.00092 -0.00081 -0.00030 -0.00044 -0.00033 -0.00009 -0.00014 -0.00005 0.00000 -0.00005 0.00004 -0.00007 -0.00013 -0.00003 -0.00015 -0.00008 -0.00012 -0.00014 -0.00007 -0.00011 -0.00010 -0.00003 -0.00007 -0.00009 0.00004 0.00002 -0.00003 0.00010 0.00008 -0.00008 0.00006 0.00004 0.00016 0.00010 0.00017 0.00014 0.00008 0.00015 -0.00012 -0.00018 -0.00011 -0.00007 -0.00003 -0.00003 -0.00009 -0.00004 -0.00004 -0.00010 -0.00006 -0.00005 0.00140 0.00164 0.00167 0.00142 0.00165 0.00169 0.00130 0.00127 0.00132 0.00092 0.00089 0.00094 0.00106 0.00103 0.00108 -0.00002 0.00005 0.00008 0.00007 0.00013 0.00016 0.00002 0.00008 0.00011 -0.00001 0.00000 0.00001 -0.00012 -0.00011 -0.00010 -0.00009 -0.00009 -0.00007 2.40761 2.86723 2.81175 2.61755 2.78672 2.80852 2.79779 2.93277 2.94545 2.93553 2.08572 2.91605 2.07950 2.08861 2.08049 2.09339 2.09536 2.92792 2.09202 2.09084 2.09013 2.11688 2.90488 2.08955 2.08362 2.10493 2.91008 2.09890 2.09865 2.91959 2.09089 2.09090 2.91789 2.09755 2.09753 2.09049 2.09051 2.08939 1.92181 2.14534 2.21388 1.95557 2.00227 1.95268 1.77304 1.87751 1.98250 1.95883 1.93833 1.92872 1.98273 1.74932 1.89538 1.91239 1.90662 2.01559 1.73982 1.95092 1.97672 1.93109 1.94696 1.91325 1.79952 1.94887 1.94113 1.95409 1.93321 1.88719 1.94722 1.93396 1.89158 1.89760 1.91630 1.87585 1.96111 1.89380 1.92532 1.91700 1.90095 1.86314 2.12246 2.13870 2.02202 1.90450 1.91447 1.97674 1.89338 1.89585 1.87712 1.96961 1.90469 1.90253 1.91912 1.91985 1.84370 1.96289 1.90648 1.90630 1.91996 1.92051 1.84384 1.96507 1.91088 1.91077 1.90952 1.90974 1.85459 1.93589 1.93585 1.94775 1.87648 1.88252 1.88261 1.55181 -0.48611 -2.60613 -1.65579 2.58947 0.46945 -0.03620 -2.13709 2.03623 -3.10854 1.07375 -1.03611 0.03299 -3.10560 3.09710 -0.04149 -0.82148 1.11869 -2.94045 1.42969 -2.91333 -0.68928 -0.81526 -2.93835 1.30954 -3.09213 1.06796 -0.96734 2.95230 0.88035 -1.21686 -1.07828 3.13295 1.03575 -0.84284 1.19845 -2.91312 1.21735 -3.02455 -0.85293 -2.92546 -0.88418 1.28744 0.54379 2.64110 -1.53415 -1.45690 0.64041 2.74835 2.65755 -1.52832 0.57962 -1.02314 -3.14019 1.08876 0.91279 -1.20425 3.02469 3.08685 0.96980 -1.08444 0.80248 -1.25366 2.89467 -1.28726 2.93979 0.80494 2.83446 0.77832 -1.35653 0.77869 2.88850 -1.35993 2.91672 -1.25666 0.77810 -1.31874 0.79107 2.82583 -0.00765 -2.14677 2.13084 3.13090 0.99179 -1.01380 3.13698 -1.00930 0.99949 -1.01519 1.12172 3.13051 1.00821 -3.13806 -1.12927 3.14059 1.01240 -1.01420 1.01130 -1.11689 3.13970 -1.01315 -3.14134 1.11524 1.04111 -1.04291 3.14065 -3.11312 1.08605 -1.01358 -1.08786 3.11130 1.01168 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000034 0.000007 0.004881 0.000924 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -9.272912e-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 1 2 2 2 3 3 3 4 4 4 4 5 5 6 6 7 7 8 8 8 9 9 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 10 5 7 10 5 9 11 6 7 8 16 6 17 18 19 20 21 9 22 23 24 25 12 26 27 28 13 29 30 14 31 32 15 33 34 35 36 37 1.2741 1.5171 1.4879 1.3851 1.4748 1.4862 1.4806 1.552 1.5587 1.5534 1.1037 1.5431 1.1004 1.1052 1.1009 1.1078 1.1088 1.5494 1.107 1.1064 1.106 1.1202 1.5372 1.1057 1.1026 1.1139 1.5399 1.1107 1.1106 1.545 1.1065 1.1064 1.5441 1.11 1.11 1.1062 1.1062 1.1057 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 5 7 5 5 9 6 6 6 7 7 8 2 2 2 3 3 6 4 4 4 5 5 18 2 2 2 4 4 20 4 4 4 9 9 22 3 3 3 8 8 24 1 1 2 3 3 3 26 26 27 10 10 10 13 13 29 12 12 12 14 14 31 13 13 13 15 15 33 14 14 14 35 35 36 2 2 2 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 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 7 10 10 9 11 11 7 8 16 8 16 16 3 6 17 6 17 17 5 18 19 18 19 19 4 20 21 20 21 21 9 22 23 22 23 23 8 24 25 24 25 25 2 12 12 26 27 28 27 28 28 13 29 30 29 30 30 14 31 32 31 32 32 15 33 34 33 34 34 35 36 37 36 37 37 110.1112 122.9208 126.8453 112.0391 114.7053 111.8771 101.5852 107.5766 113.5864 112.228 111.0611 110.5102 113.5999 100.2393 108.6063 109.563 109.2362 115.4834 99.683 111.7752 113.2565 110.6484 111.5555 109.6202 103.1053 111.6598 111.2179 111.958 110.7685 108.1292 111.5672 110.8038 108.3819 108.7329 109.7898 107.4781 112.3618 108.5052 110.3143 109.8365 108.9188 106.7487 121.6033 122.5362 115.8602 109.1169 109.691 113.2592 108.4779 108.6266 107.5558 112.8549 109.1451 108.9995 109.9572 109.989 105.6345 112.4698 109.2363 109.2181 110.003 110.0382 105.6427 112.5897 109.49 109.4769 109.4079 109.4173 106.2601 110.9169 110.9173 111.5983 107.5146 107.8601 107.865 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 7 7 7 10 10 10 5 5 5 10 10 10 5 5 7 7 9 9 9 11 11 11 5 5 5 11 11 11 5 5 5 9 9 9 7 7 7 8 8 8 16 16 16 6 6 6 8 8 8 16 16 16 6 6 6 7 7 7 16 16 16 2 2 2 3 3 3 17 17 17 4 4 4 22 22 22 23 23 23 1 1 1 2 2 2 10 10 10 29 29 29 30 30 30 12 12 12 31 31 31 32 32 32 13 13 13 33 33 33 34 34 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 5 5 5 5 5 5 7 7 7 7 7 7 10 10 10 10 5 5 5 5 5 5 9 9 9 9 9 9 11 11 11 11 11 11 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 3 6 17 3 6 17 4 20 21 4 20 21 1 12 1 12 2 6 17 2 6 17 8 24 25 8 24 25 26 27 28 26 27 28 5 18 19 5 18 19 5 18 19 2 20 21 2 20 21 2 20 21 9 22 23 9 22 23 9 22 23 4 18 19 4 18 19 4 18 19 3 24 25 3 24 25 3 24 25 13 29 30 13 29 30 14 31 32 14 31 32 14 31 32 15 33 34 15 33 34 15 33 34 35 36 37 35 36 37 35 36 88.9226 -27.8361 -149.3119 -94.8547 148.3866 26.9109 -2.0904 -122.4582 116.656 -178.128 61.5042 -59.3816 1.8947 -177.932 177.4612 -2.3655 -47.0546 64.1142 -168.469 81.9022 -166.929 -39.5122 -46.727 -168.3701 75.018 -177.1509 61.206 -55.4059 169.1989 50.493 -69.6746 -61.7636 179.5304 59.3628 -48.2862 68.6743 -166.9066 69.7488 -173.2908 -48.8717 -167.6125 -50.6521 73.767 31.1653 151.3286 -87.8935 -83.4665 36.6969 157.4748 152.2721 -87.5645 33.2134 -58.6164 -179.9217 62.3798 52.3011 -69.0042 173.2973 176.8677 55.5624 -62.1361 45.9694 -71.8354 165.8424 -73.7623 168.4329 46.1107 162.4097 44.6049 -77.7173 44.6197 165.5004 -77.9169 167.1207 -71.9986 44.5841 -75.5522 45.3285 161.9112 -0.5189 -123.0943 121.9923 179.306 56.7306 -58.1828 179.6611 -57.901 57.1912 -58.2189 64.219 179.3111 57.7055 -179.8566 -64.7645 179.9437 58.0038 -58.1138 57.9395 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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 188.1411999999999 AuxInfo=1/0/N:15,11,14,13,12,8,9,6,7,4,5,10,3,2,1/CRV:12.3,15.1/rA:37O1NNCCCCCCC3CCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s2s3;s4s5;s2s4;s4;s3s8;s1s2;s3;s10;s12;s13;s14;s4;s5;s6;s6;s7;s7;s8;s8;s9;s9;s11;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.313010 0.000000 3.563518 2.443089 0.000000 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2.883724 1.517114 1.474800 2.365444 0.000000 4.204772 2.348414 2.465806 1.551965 1.543090 0.000000 3.721567 1.487923 3.250780 1.558672 2.463310 2.410321 0.000000 5.226588 3.140452 2.522217 1.553431 2.854579 2.505557 2.583510 0.000000 4.422051 2.861780 1.486227 2.565769 2.455375 2.959954 2.995587 1.549371 0.000000 1.274062 1.385129 3.409662 3.746487 2.550363 3.624626 2.569872 4.428767 3.885841 0.000000 3.360128 3.241974 1.480576 4.284041 2.488448 3.814070 4.309564 3.844014 2.457812 3.608406 0.000000 2.468341 2.477665 4.729091 4.451151 3.918037 4.717433 2.954600 5.201660 4.854792 1.537158 4.953778 0.000000 2.841542 3.822168 5.866292 5.958275 5.113705 6.074882 4.487113 6.656047 6.127520 2.563802 5.772942 1.539946 0.000000 4.378223 5.040360 7.192465 6.914828 6.449260 7.252871 5.366446 7.632907 7.249101 3.940582 7.172402 2.564565 1.544970 0.000000 5.269393 6.364150 8.392410 8.375346 7.683331 8.596578 6.843288 9.064258 8.554496 5.133575 8.178029 3.943285 2.569795 1.544081 0.000000 5.618684 3.325621 3.948682 1.103709 3.379215 2.235521 2.209994 2.198359 3.523902 4.624771 5.369993 5.127480 6.653984 7.463273 8.962637 0.000000 2.543404 2.139593 2.110758 3.378137 1.100410 2.247929 3.348062 3.928682 3.393870 2.673319 2.600972 4.167417 5.119460 6.561961 7.651195 4.313647 0.000000 4.322119 2.680843 3.421352 2.214227 2.192149 1.105245 2.724087 3.489389 4.009697 3.756535 4.632800 4.734718 6.023573 7.154745 8.467412 2.556839 2.526602 0.000000 5.022620 3.340379 2.639531 2.229340 2.200345 1.100940 3.413467 2.697503 3.184034 4.593940 3.993306 5.771339 7.101096 8.319768 9.643361 2.714933 2.732000 1.802998 0.000000 4.137844 2.158196 3.665184 2.224385 3.242328 3.365602 1.107769 2.703813 3.015716 2.939119 4.570290 2.956962 4.453063 5.142538 6.645028 2.764264 4.170135 3.808600 4.269239 0.000000 4.102092 2.153491 4.230085 2.210100 3.198659 2.897230 1.108797 3.513674 4.089837 2.920169 5.271700 2.958357 4.434647 5.141380 6.630805 2.421628 3.896439 2.786520 3.939674 1.794707 0.000000 5.870619 3.766663 3.449683 2.204597 3.811890 3.486492 2.918101 1.107035 2.174347 4.949477 4.616342 5.447295 6.906983 7.704784 9.167809 2.524686 4.906786 4.368911 3.746265 2.640672 3.772541 0.000000 6.015942 4.000291 2.907945 2.172862 3.362661 2.733617 3.521835 1.106421 2.187581 5.329376 4.257101 6.216448 7.664087 8.688974 10.112236 2.529079 4.331831 3.719036 2.470578 3.770508 4.347176 1.784780 0.000000 5.280707 3.938889 2.115579 3.508353 3.390130 3.856000 4.074128 2.187901 1.106044 4.874437 2.703101 5.841497 7.038520 8.150270 9.407783 4.354317 4.211167 4.946512 3.830142 3.987078 5.166317 2.589756 2.435170 0.000000 4.079696 2.686753 2.149336 2.955893 2.850889 3.580314 2.817096 2.186506 1.120182 3.442657 2.691051 4.170544 5.381720 6.405168 7.696632 3.906952 3.749697 4.505710 4.056625 2.505665 3.910903 2.404956 3.087915 1.786679 0.000000 4.421872 4.230387 2.118266 4.924603 3.418141 4.554824 5.133205 4.165026 2.715409 4.657339 1.105732 5.928591 6.731618 8.084525 9.065608 5.967252 3.597707 5.471432 4.535000 5.279779 6.158245 4.850950 4.411253 2.488846 3.048593 0.000000 3.219804 3.597068 2.123198 4.838741 2.682637 4.037690 4.850748 4.641618 3.410523 3.788287 1.102605 5.247082 5.911800 7.400091 8.296282 5.903021 2.324707 4.679269 4.163648 5.284336 5.688151 5.519207 4.964973 3.705300 3.704722 1.791981 0.000000 2.863411 3.101306 2.176059 4.562523 2.885354 4.326678 4.217050 4.194042 2.762729 3.120708 1.113851 4.288753 4.963762 6.315126 7.264025 5.662770 3.031010 5.070726 4.732225 4.293416 5.154782 4.789636 4.830050 3.111876 2.518560 1.802794 1.788099 0.000000 3.189986 2.738160 5.207265 4.327716 4.184531 4.645551 2.825614 5.340225 5.303258 2.171694 5.675030 1.110662 2.184618 2.802828 4.241815 4.798365 4.469664 4.456872 5.742838 2.980441 2.415878 5.563761 6.315135 6.357014 4.737164 6.677046 5.937110 5.153663 0.000000 3.182492 2.746008 4.755841 4.373737 4.209048 4.959814 2.874514 4.887702 4.550545 2.169742 5.008336 1.110576 2.184963 2.799251 4.240231 5.028097 4.681299 5.161135 5.979935 2.462392 3.059629 4.927719 5.968441 5.464486 3.696821 5.859866 5.514936 4.268247 1.769687 0.000000 2.758520 4.088962 6.133973 6.295103 5.221808 6.164935 4.908255 7.134135 6.622695 2.789748 6.023002 2.172193 1.106458 2.186477 2.805886 6.979283 5.015936 5.959973 7.168941 5.099593 4.749284 7.517909 8.071824 7.565555 6.014066 7.042787 5.964041 5.323139 2.539143 3.094906 0.000000 2.742269 4.091182 5.752433 6.325412 5.236993 6.401196 4.935917 6.801636 6.036078 2.783908 5.395719 2.171949 1.106446 2.186919 2.807295 7.138182 5.199050 6.498775 7.356098 4.816882 5.106077 7.061406 7.802534 6.832412 5.234727 6.270510 5.538346 4.468608 3.094495 2.542980 1.763142 0.000000 4.824098 5.177864 7.520895 6.841981 6.619849 7.212378 5.301467 7.734010 7.562218 4.231357 7.692785 2.794871 2.182491 1.109967 2.180648 7.247224 6.762840 6.979842 8.306466 5.160418 4.854177 7.793292 8.766319 8.532835 6.792390 8.653058 7.908707 6.935257 2.573840 3.120323 2.546278 3.100818 0.000000 4.815047 5.180681 7.211778 6.871499 6.632884 7.417974 5.328679 7.427566 7.051539 4.228191 7.209292 2.795531 2.182316 1.109960 2.180764 7.402996 6.901460 7.449591 8.470860 4.880686 5.207655 7.352152 8.518600 7.886387 6.109073 8.033071 7.590998 6.298959 3.127691 2.570715 3.100386 2.545872 1.775940 0.000000 5.262714 6.570890 8.357485 8.678836 7.810797 8.873256 7.181853 9.209789 8.529121 5.289589 7.961017 4.265488 2.833111 2.197171 1.106229 9.363929 7.751660 8.854409 9.876914 6.926151 7.131148 9.318788 10.257104 9.293877 7.631673 8.772180 8.081304 6.978071 4.805630 4.464865 3.161210 2.618839 3.106867 2.546712 0.000000 5.272013 6.569183 8.627568 8.655655 7.800340 8.701789 7.161826 9.460143 8.958391 5.292806 8.404229 4.265448 2.833927 2.197187 1.106243 9.240842 7.628743 8.461583 9.736158 7.127083 6.876152 9.672438 10.465063 9.851418 8.191878 9.346696 8.382814 7.560873 4.463512 4.804106 2.618210 3.164237 2.545981 3.106947 1.784403 0.000000 6.314931 7.232715 9.321572 9.107854 8.611668 9.442638 7.554126 9.804524 9.377768 6.074022 9.162806 4.763566 3.535401 2.205335 1.105655 9.615874 8.643473 9.295187 10.509633 7.274393 7.269334 9.815634 10.872270 10.227684 8.480234 10.031526 9.335240 8.234366 4.930756 4.927458 3.824640 3.825398 2.529091 2.528609 1.787863 1.787930 0.000000 1.1971105 0.2866309 0.2618478 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 189 191 191 191 191 MxSgAt= 37 MxSgA2= 37. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 9045 NPrTT= 44932 LenC2= 8288 LenP2D= 27199. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 194 RedAO= T EigKep= 2.07D-03 NBF= 194 NBsUse= 194 1.00D-06 EigRej= -1.00D+00 NBFU= 194 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 189 189 189 189 189 MxSgAt= 37 MxSgA2= 37. 1 Closed 1 0 1 -653.937927358576 -653.936749724256 0.001177634320 -654.189348663370 -0.252598939114 -654.133186196370 0.056162467000 -654.297933070520 -0.164746874150 -654.315960973137 -0.018027902616 -654.316498398536 -0.000537425399 -654.316571678640 -0.000073280104 -654.316581475839 -0.000009797199 -654.316584123922 -0.000002648083 -654.316584370379 -0.000000246456 -654.316584529074 -0.000000158695 -654.316584595130 -0.000000066056 -654.316584598645 -0.000000003515 -654.316584598671 -0.000000000026 -654.316584598689 -0.000000000018 -654.316584598709 -0.000000000020 -654.316584599 17 6.518641416732e+02 -3.694503780855e+03 1.302559175480e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=182739270. IVT= 133860 IEndB= 133860 NGot= 402653184 MDV= 223621255 LenX= 223621255 LenY= 223583178 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 18915 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 5.15227272e-01 1.43382081e+00 4.81163565e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.000286670 -0.053322004 -0.020695471 -0.008700009 -0.005397836 -0.003970144 0.008085946 -0.005639071 -0.009919549 0.003803688 0.000381640 0.003756761 0.018549851 -0.005169454 0.000701581 0.001677156 0.005223838 -0.008121793 -0.007720537 0.004295422 -0.002063270 0.003415356 0.001638883 0.000594888 0.003377201 0.005312265 -0.004214375 0.009806042 0.040555272 0.013260300 0.004679078 -0.009774180 0.000003313 -0.004688654 -0.000677120 0.000977826 -0.006775377 0.002335550 0.002999698 0.003283628 -0.002307014 -0.001791700 -0.005331343 0.002292256 0.001105301 0.000437486 0.006490986 0.000092540 -0.002846506 -0.007833603 0.002717332 -0.002855609 0.001290175 -0.005789338 0.002567781 -0.003756454 0.001307393 -0.000685392 0.004054241 0.007600858 -0.002275824 0.011379556 -0.001787653 -0.000659694 0.002856396 0.006692768 0.005515627 0.000963144 -0.002386852 0.003483310 -0.005138429 0.002216986 -0.012303174 0.000399075 0.006975354 0.005320105 -0.002069305 0.005294195 -0.002473474 -0.000729873 -0.004919922 -0.011585438 -0.000606117 0.004120002 0.000227918 0.009767054 -0.001542030 0.000592098 0.006711395 0.007112915 0.000171799 -0.003022666 -0.004503709 0.001382625 -0.005157789 0.001005356 -0.000191220 0.007887262 -0.003537364 0.002323707 0.003914314 0.007414211 -0.000148620 -0.006342394 0.003472940 -0.002167295 -0.003077218 -0.006248854 -0.007578910 0.002271805 0.002069503 0.053322004 0.008468624 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -654.328526493488 -654.328537343062 -0.000010849574 -654.328536759508 0.000000583553 -654.328537437648 -0.000000678139 -654.328537458763 -0.000000021116 -654.328537460770 -0.000000002007 -654.328537460844 -0.000000000074 -654.328537460874 -0.000000000030 -654.328537461 8 6.509424067573e+02 -3.662090110101e+03 1.286959845126e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=182739270. IVT= 133860 IEndB= 133860 NGot= 402653184 MDV= 223621255 LenX= 223621255 LenY= 223583178 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 18915 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. 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H 1S 2S 18 H 1S 2S 19 H 1S 2S 20 H 1S 2S 21 H 1S 2S 22 H 1S 2S 23 H 1S 2S 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 H 1S|2S|17 H 1S|2S|18 H 1S|2S|19 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S 1.13250 0.85921 0.96859 0.87172 1.30538 1.03136 1.04302 0.45673 0.24599 0.37632 1.15926 0.83095 0.82257 0.70307 0.96544 0.96139 1.13676 0.07563 0.10683 0.37730 1.15939 0.83087 0.83077 0.74694 1.16500 0.90922 0.94237 0.34281 0.02591 0.08924 1.17434 0.81411 0.72156 0.58792 0.83985 0.90872 0.86003 0.03741 0.21156 0.03146 1.17445 0.81404 0.74015 0.57641 0.77695 0.90214 0.86909 0.05603 0.13081 0.14319 1.17428 0.81412 0.72400 0.64573 0.92109 0.85865 0.88729 0.21904 0.08161 0.13548 1.17433 0.81420 0.73132 0.63603 0.89642 0.79696 0.93484 0.08773 0.08977 0.22308 1.17430 0.81420 0.72349 0.63224 0.90322 0.86703 0.88737 0.19575 0.08602 0.15087 1.17434 0.81420 0.73058 0.63723 0.93289 0.85778 0.83659 0.21133 0.08417 0.11892 1.17455 0.81411 0.78775 0.25862 0.87469 0.85253 0.75226 0.05307 0.06170 0.15965 1.17428 0.81428 0.73606 0.69107 0.92779 0.80670 0.94446 0.20020 0.10439 0.21689 1.17426 0.81413 0.72291 0.65756 0.87318 0.89646 0.90909 0.07961 0.16106 0.19389 1.17429 0.81422 0.72373 0.62082 0.84186 0.89228 0.92486 0.03559 0.12012 0.20824 1.17431 0.81428 0.72366 0.60847 0.85688 0.88450 0.90764 0.04710 0.15085 0.17607 1.17426 0.81436 0.72505 0.68484 0.87693 0.90502 0.91731 0.15760 0.20641 0.23334 0.51827 0.24078 0.51477 0.19206 0.51354 0.26956 0.51207 0.24436 0.51464 0.26965 0.51506 0.25742 0.51394 0.27666 0.51375 0.27158 0.51627 0.26044 0.51197 0.29769 0.51346 0.27454 0.51260 0.25775 0.50981 0.27164 0.50962 0.27482 0.50950 0.27531 0.51173 0.27606 0.51169 0.27612 0.51426 0.29845 0.51429 0.29837 0.51072 0.27689 0.51071 0.27676 0.51155 0.27550 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 O N N C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H -0.290826 -0.139187 -0.042522 -0.186961 -0.183260 -0.461297 -0.384679 -0.434478 -0.398043 0.211070 -0.616123 -0.482140 -0.356022 -0.343759 -0.695122 0.240946 0.293174 0.216902 0.243573 0.215707 0.227515 0.209392 0.214667 0.223294 0.190336 0.212005 0.229652 0.218554 0.215559 0.215190 0.212216 0.212192 0.187285 0.187332 0.212387 0.212526 0.212943 0.00000 5.39385739e-01 1.42394544e+00 6.09568373e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.3710 3.6193 1.5494 4.1689 -93.0638 -93.7855 -91.1633 -1.2858 -0.4286 -3.5467 -0.3929 -1.1146 1.5076 -1.2858 -0.4286 -3.5467 23.0228 4.6930 -9.7884 19.3867 12.2312 2.1702 13.8041 1.1628 1.6277 2.0036 -4770.3598 -906.3523 -466.7156 55.4613 22.4710 12.3496 -11.8379 0.8468 3.9569 -941.8506 -842.5736 -228.4572 -15.9143 -2.1108 2.2103 0 -654.3285375 7.472E-9 1.55E-5 -0.2921175,-0.8287149,1.1208323,-0.9559238,-0.3186648,-2.6369133 C01 [X(C12H22N2O1)] 0.5393857 1.4239454 0.6095684 @ -0.000001008 0.000013159 -0.000001399 0.000035709 0.000004636 -0.000003337 -0.000027815 -0.000015490 -0.000010733 -0.000009780 -0.000032669 0.000000449 0.000025478 -0.000006414 0.000022856 0.000010875 0.000036511 -0.000009273 0.000005367 0.000028801 0.000019314 0.000012370 0.000012170 -0.000026291 0.000003663 -0.000006147 0.000013448 -0.000031648 -0.000041477 -0.000049454 0.000047805 -0.000000206 0.000003661 -0.000026717 0.000014863 0.000065884 0.000003182 -0.000020776 -0.000016931 -0.000008305 -0.000005668 0.000002291 0.000001048 0.000008451 0.000001386 -0.000001619 0.000008275 0.000001835 -0.000010667 -0.000013256 0.000002787 -0.000005482 -0.000009603 0.000002386 0.000000839 -0.000014108 0.000010137 -0.000004054 -0.000001009 -0.000000963 -0.000002118 0.000003254 -0.000009000 -0.000003979 -0.000004411 0.000015321 -0.000001143 0.000007453 -0.000003514 -0.000000652 -0.000000197 0.000005193 -0.000016366 0.000010419 0.000005143 -0.000000924 0.000004147 0.000013016 -0.000011870 0.000005758 0.000001819 -0.000016408 -0.000003477 0.000010636 0.000011753 0.000005295 -0.000020005 0.000008312 0.000011014 -0.000016600 0.000008337 -0.000002911 -0.000002059 -0.000002591 -0.000001876 0.000004391 0.000005143 0.000005339 -0.000010847 0.000002399 0.000005522 -0.000002148 -0.000001315 -0.000004786 -0.000001485 0.000002709 -0.000003962 -0.000011716 -0.000000523 0.000003377 -0.000006197 188.1411999999999 AuxInfo=1/0/N:15,11,14,13,12,8,9,6,7,4,5,10,3,2,1/CRV:12.3,15.1/rA:37O1NNCCCCCCC3CCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s2s3;s4s5;s2s4;s4;s3s8;s1s2;s3;s10;s12;s13;s14;s4;s5;s6;s6;s7;s7;s8;s8;s9;s9;s11;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2072 CBGUSER 000093610 EM64L-G09RevD.01 30-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 105 C1[X(C12H22N2O)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 188.1411999999999 0 1 AuxInfo=1/0/N:15,11,14,13,12,8,9,6,7,4,5,10,3,2,1/CRV:12.3,15.1/rA:37O1NNCCCCCCC3CCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s2s3;s4s5;s2s4;s4;s3s8;s1s2;s3;s10;s12;s13;s14;s4;s5;s6;s6;s7;s7;s8;s8;s9;s9;s11;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-17231.inp" -scrdir="/scratch/" chk=000093610-Freq.chk nprocshared=4 mem=3GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000093610 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000080 0.000020 0.015211 0.004709 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -5.569423e-07 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1069.8592667146 194 448 194 58 58 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 188.1411999999999 AuxInfo=1/0/N:15,11,14,13,12,8,9,6,7,4,5,10,3,2,1/CRV:12.3,15.1/rA:37O1NNCCCCCCC3CCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s2s3;s4s5;s2s4;s4;s3s8;s1s2;s3;s10;s12;s13;s14;s4;s5;s6;s6;s7;s7;s8;s8;s9;s9;s11;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.321936 0.000000 3.599606 2.503632 0.000000 4.671414 2.386437 2.891931 0.000000 2.883725 1.517114 1.474799 2.365445 0.000000 4.204772 2.348414 2.465805 1.551966 1.543090 0.000000 3.721567 1.487923 3.250781 1.558672 2.463311 2.410322 0.000000 5.226588 3.140452 2.522217 1.553432 2.854579 2.505558 2.583511 0.000000 4.422052 2.861780 1.486227 2.565769 2.455375 2.959954 2.995587 1.549371 0.000000 1.274061 1.385130 3.409662 3.746487 2.550364 3.624626 2.569872 4.428768 3.885842 0.000000 3.360128 3.241975 1.480576 4.284041 2.488449 3.814070 4.309565 3.844014 2.457813 3.608407 0.000000 2.468341 2.477665 4.729091 4.451151 3.918038 4.717433 2.954600 5.201661 4.854793 1.537158 4.953779 0.000000 2.841541 3.822168 5.866292 5.958274 5.113705 6.074882 4.487112 6.656047 6.127520 2.563801 5.772942 1.539945 0.000000 4.378222 5.040360 7.192465 6.914828 6.449260 7.252872 5.366446 7.632908 7.249101 3.940582 7.172402 2.564564 1.544971 0.000000 5.269393 6.364151 8.392410 8.375346 7.683332 8.596579 6.843288 9.064259 8.554497 5.133575 8.178030 3.943285 2.569796 1.544081 0.000000 5.618684 3.325620 3.948682 1.103709 3.379215 2.235522 2.209994 2.198359 3.523901 4.624772 5.369993 5.127480 6.653984 7.463274 8.962637 0.000000 2.543404 2.139593 2.110758 3.378138 1.100410 2.247929 3.348063 3.928682 3.393871 2.673319 2.600972 4.167417 5.119460 6.561961 7.651195 4.313648 0.000000 4.322119 2.680843 3.421352 2.214227 2.192149 1.105245 2.724087 3.489389 4.009697 3.756535 4.632800 4.734718 6.023573 7.154745 8.467412 2.556838 2.526603 0.000000 5.022621 3.340379 2.639532 2.229341 2.200345 1.100940 3.413467 2.697503 3.184034 4.593941 3.993307 5.771340 7.101096 8.319768 9.643362 2.714933 2.732001 1.802999 0.000000 4.137844 2.158196 3.665184 2.224384 3.242328 3.365602 1.107768 2.703814 3.015716 2.939119 4.570291 2.956962 4.453062 5.142538 6.645029 2.764264 4.170135 3.808599 4.269239 0.000000 4.102092 2.153491 4.230086 2.210100 3.198660 2.897231 1.108797 3.513675 4.089837 2.920169 5.271701 2.958357 4.434647 5.141379 6.630805 2.421628 3.896439 2.786520 3.939674 1.794707 0.000000 5.870618 3.766663 3.449683 2.204597 3.811889 3.486491 2.918101 1.107035 2.174346 4.949476 4.616342 5.447295 6.906982 7.704784 9.167809 2.524686 4.906786 4.368910 3.746264 2.640672 3.772541 0.000000 6.015942 4.000290 2.907945 2.172862 3.362661 2.733617 3.521835 1.106421 2.187581 5.329376 4.257102 6.216448 7.664087 8.688974 10.112236 2.529078 4.331832 3.719036 2.470578 3.770508 4.347176 1.784779 0.000000 5.280707 3.938889 2.115580 3.508354 3.390130 3.856000 4.074129 2.187900 1.106044 4.874437 2.703101 5.841498 7.038520 8.150270 9.407784 4.354318 4.211168 4.946512 3.830143 3.987079 5.166318 2.589756 2.435170 0.000000 4.079696 2.686753 2.149336 2.955892 2.850889 3.580314 2.817096 2.186506 1.120182 3.442658 2.691052 4.170544 5.381720 6.405168 7.696632 3.906952 3.749697 4.505709 4.056625 2.505665 3.910903 2.404955 3.087915 1.786680 0.000000 4.421872 4.230387 2.118266 4.924603 3.418141 4.554823 5.133206 4.165025 2.715409 4.657339 1.105731 5.928591 6.731617 8.084525 9.065608 5.967252 3.597707 5.471432 4.535001 5.279779 6.158245 4.850949 4.411254 2.488846 3.048593 0.000000 3.219805 3.597069 2.123198 4.838742 2.682637 4.037690 4.850749 4.641618 3.410523 3.788287 1.102605 5.247082 5.911800 7.400091 8.296282 5.903021 2.324707 4.679269 4.163649 5.284336 5.688151 5.519207 4.964974 3.705301 3.704722 1.791981 0.000000 2.863411 3.101306 2.176060 4.562523 2.885354 4.326679 4.217050 4.194042 2.762730 3.120709 1.113851 4.288753 4.963762 6.315126 7.264025 5.662770 3.031011 5.070726 4.732226 4.293416 5.154782 4.789636 4.830050 3.111876 2.518560 1.802794 1.788100 0.000000 3.189985 2.738160 5.207265 4.327715 4.184531 4.645551 2.825614 5.340226 5.303257 2.171694 5.675030 1.110662 2.184618 2.802829 4.241816 4.798365 4.469663 4.456871 5.742838 2.980441 2.415878 5.563761 6.315135 6.357014 4.737163 6.677045 5.937110 5.153663 0.000000 3.182492 2.746009 4.755842 4.373737 4.209048 4.959815 2.874514 4.887703 4.550545 2.169742 5.008336 1.110576 2.184963 2.799250 4.240231 5.028097 4.681299 5.161135 5.979935 2.462392 3.059629 4.927719 5.968441 5.464487 3.696821 5.859867 5.514937 4.268248 1.769687 0.000000 2.758519 4.088963 6.133973 6.295103 5.221809 6.164935 4.908255 7.134135 6.622696 2.789748 6.023003 2.172193 1.106458 2.186477 2.805886 6.979283 5.015936 5.959973 7.168941 5.099593 4.749284 7.517909 8.071824 7.565555 6.014066 7.042787 5.964042 5.323139 2.539142 3.094906 0.000000 2.742268 4.091183 5.752433 6.325412 5.236993 6.401197 4.935917 6.801636 6.036078 2.783908 5.395719 2.171949 1.106446 2.186919 2.807295 7.138182 5.199050 6.498774 7.356098 4.816882 5.106077 7.061405 7.802534 6.832413 5.234727 6.270509 5.538345 4.468607 3.094495 2.542981 1.763142 0.000000 4.824097 5.177864 7.520895 6.841980 6.619849 7.212379 5.301466 7.734010 7.562218 4.231356 7.692785 2.794871 2.182490 1.109967 2.180648 7.247224 6.762840 6.979842 8.306467 5.160418 4.854177 7.793292 8.766319 8.532836 6.792390 8.653057 7.908706 6.935256 2.573840 3.120322 2.546277 3.100817 0.000000 4.815046 5.180682 7.211778 6.871499 6.632885 7.417975 5.328679 7.427567 7.051540 4.228191 7.209293 2.795531 2.182317 1.109960 2.180764 7.402996 6.901460 7.449591 8.470860 4.880686 5.207655 7.352152 8.518600 7.886388 6.109073 8.033071 7.590998 6.298959 3.127692 2.570715 3.100386 2.545872 1.775940 0.000000 5.262713 6.570891 8.357485 8.678835 7.810797 8.873256 7.181853 9.209789 8.529121 5.289589 7.961016 4.265488 2.833111 2.197171 1.106229 9.363929 7.751660 8.854408 9.876914 6.926151 7.131147 9.318788 10.257104 9.293878 7.631673 8.772179 8.081304 6.978070 4.805630 4.464865 3.161210 2.618839 3.106867 2.546712 0.000000 5.272012 6.569183 8.627568 8.655654 7.800340 8.701789 7.161826 9.460143 8.958391 5.292805 8.404229 4.265448 2.833927 2.197186 1.106243 9.240841 7.628742 8.461582 9.736158 7.127083 6.876151 9.672437 10.465063 9.851418 8.191878 9.346696 8.382813 7.560873 4.463511 4.804106 2.618210 3.164237 2.545980 3.106947 1.784403 0.000000 6.314930 7.232716 9.321573 9.107853 8.611668 9.442639 7.554126 9.804525 9.377769 6.074022 9.162807 4.763566 3.535402 2.205335 1.105655 9.615875 8.643473 9.295187 10.509633 7.274393 7.269334 9.815634 10.872270 10.227684 8.480234 10.031526 9.335240 8.234366 4.930757 4.927458 3.824640 3.825398 2.529091 2.528610 1.787863 1.787930 0.000000 C12H22N2O 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 0 188.1411999999999 AuxInfo=1/0/N:15,11,14,13,12,8,9,6,7,4,5,10,3,2,1/CRV:12.3,15.1/rA:37O1NNCCCCCCC3CCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s2s3;s4s5;s2s4;s4;s3s8;s1s2;s3;s10;s12;s13;s14;s4;s5;s6;s6;s7;s7;s8;s8;s9;s9;s11;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 1.1971103 0.2866308 0.2618478 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 9045 NPrTT= 44932 LenC2= 8288 LenP2D= 27199. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 194 RedAO= T EigKep= 2.07D-03 NBF= 194 NBsUse= 194 1.00D-06 EigRej= -1.00D+00 NBFU= 194 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 189 189 190 191 191 MxSgAt= 37 MxSgA2= 37. 1 Closed 1 0 1 -653.967721413264 -653.914052097847 0.053669315417 -654.186806313829 -0.272754215982 -654.102468593925 0.084337719904 -654.286575479998 -0.184106886073 -654.328018336991 -0.041442856993 -654.328300451367 -0.000282114376 -654.328491030561 -0.000190579194 -654.328499123337 -0.000008092776 -654.328533567529 -0.000034444192 -654.328533710425 -0.000000142896 -654.328534027346 -0.000000316922 -654.328534121234 -0.000000093888 -654.328534210325 -0.000000089091 -654.328534211509 -0.000000001184 -654.328534211618 -0.000000000108 -654.328534211618 -0.000000000001 -654.328534212 17 6.509424130543e+02 -3.662090019029e+03 1.286959805049e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=182739598. IVT= 134188 IEndB= 134188 NGot= 402653184 MDV= 223620927 LenX= 223620927 LenY= 223582850 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 18915 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 37. Will process 38 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 402652616 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=182616175. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 18915 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 114 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 111 vectors produced by pass 0 Test12= 7.89D-15 1.00D-09 XBig12= 1.49D+02 4.76D+00. AX will form 111 AO Fock derivatives at one time. 111 vectors produced by pass 1 Test12= 7.89D-15 1.00D-09 XBig12= 4.50D+01 1.37D+00. 111 vectors produced by pass 2 Test12= 7.89D-15 1.00D-09 XBig12= 6.06D-02 2.18D-02. 111 vectors produced by pass 3 Test12= 7.89D-15 1.00D-09 XBig12= 2.20D-05 3.75D-04. 51 vectors produced by pass 4 Test12= 7.89D-15 1.00D-09 XBig12= 8.36D-10 2.14D-06. 3 vectors produced by pass 5 Test12= 7.89D-15 1.00D-09 XBig12= 3.04D-14 1.29D-08. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 498 with 114 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 140.92 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 167.415 4.793 137.441 -2.496 -2.343 117.917 231.203 13.940 242.655 -5.996 -14.167 202.231 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2158.300S 2017-06-30T05:08:24.000+02:00 -18.71531 -14.01589 -13.98716 -9.98430 -9.95495 -9.93797 -9.91937 -9.91666 -9.90083 -9.89951 -9.89938 -9.89652 -9.88622 -9.88105 -9.87553 -0.92970 -0.87111 -0.81512 -0.73804 -0.71613 -0.68787 -0.65746 -0.65006 -0.60481 -0.58158 -0.56551 -0.54090 -0.51499 -0.50031 -0.48549 -0.44921 -0.43000 -0.41937 -0.41424 -0.40196 -0.39135 -0.38609 -0.37800 -0.37228 -0.36159 -0.35687 -0.35334 -0.34167 -0.33935 -0.32256 -0.31972 -0.31397 -0.31239 -0.29377 -0.29110 -0.28540 -0.28275 -0.27886 -0.27853 -0.27144 -0.20177 -0.18667 -0.16360 -0.01077 0.06275 0.07943 0.08833 0.09182 0.09675 0.10169 0.10680 0.11204 0.11965 0.12091 0.12219 0.13238 0.14242 0.14721 0.15199 0.15506 0.15792 0.16200 0.16846 0.17039 0.17411 0.18428 0.18723 0.19434 0.19902 0.20470 0.20833 0.21486 0.21566 0.21806 0.22504 0.23198 0.23944 0.24551 0.25113 0.25374 0.26079 0.27475 0.27866 0.28198 0.29072 0.29581 0.31108 0.31463 0.32223 0.32557 0.33106 0.34506 0.35403 0.35850 0.36689 0.37495 0.37894 0.39027 0.40764 0.42103 0.42632 0.43494 0.44509 0.45273 0.45859 0.46212 0.48382 0.48788 0.49289 0.50642 0.52278 0.53828 0.55306 0.57601 0.59271 0.60000 0.65279 0.66182 0.68294 0.71179 0.77211 0.77866 0.78353 0.81407 0.84956 0.85506 0.88807 0.89845 0.91344 0.92518 0.95260 0.95771 0.97775 0.99214 0.99914 1.01295 1.01919 1.02636 1.05316 1.06204 1.06920 1.08321 1.09058 1.11133 1.11440 1.13416 1.14255 1.15798 1.16692 1.17724 1.18747 1.20542 1.21483 1.22330 1.24105 1.28911 1.31469 1.35554 1.38410 1.45969 1.47539 1.57832 1.61327 1.73710 22.43239 22.48051 22.55280 22.56221 22.59600 22.61191 22.61917 22.62741 22.66895 22.67011 22.67491 22.69466 31.54568 31.55640 41.58943 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 O N N C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H -0.290826 -0.139192 -0.042517 -0.186979 -0.183368 -0.461307 -0.384630 -0.434485 -0.397991 0.211097 -0.616094 -0.482178 -0.356008 -0.343754 -0.695124 0.240950 0.293211 0.216908 0.243584 0.215698 0.227509 0.209393 0.214666 0.223286 0.190320 0.212001 0.229646 0.218550 0.215566 0.215197 0.212212 0.212190 0.187285 0.187328 0.212388 0.212526 0.212944 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 O N N C C C C C C C C C C C C -0.290826 -0.139192 -0.042517 0.053971 0.109843 -0.000815 0.058576 -0.010427 0.015615 0.211097 0.044103 -0.051415 0.068394 0.030859 -0.057266 0.00000 -5.19413317e-01 -1.43331615e+00 6.04960472e-01 1.67415028e+02 4.79297980e+00 1.37441439e+02 -2.49607485e+00 -2.34334537e+00 1.17916601e+02 -17.7657 -2.3789 0.0003 0.0005 0.0006 6.5784 34.1507 40.9871 61.9350 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 33.8160 40.7581 61.7914 74.0733 92.5853 120.2001 132.9382 190.0922 199.2148 228.6048 230.9915 242.8826 292.2907 308.7014 337.8563 354.8942 394.3598 412.4556 464.0023 504.4981 528.5533 554.1880 581.4932 697.2062 723.5977 734.8983 760.1077 794.2535 798.0170 812.2139 892.9664 900.2856 905.4638 920.4118 928.1266 945.2101 960.8071 1012.0143 1024.9317 1040.6795 1046.1571 1074.9021 1085.9190 1091.8219 1097.3212 1111.4237 1113.9233 1117.1576 1129.1967 1140.4009 1148.3886 1193.5193 1206.2176 1227.3169 1238.5097 1250.4963 1267.4826 1278.0371 1282.0474 1286.0705 1298.9414 1314.5700 1318.4386 1320.4301 1343.8441 1354.5018 1363.1937 1377.6273 1379.5868 1391.7193 1438.7416 1440.9138 1454.6251 1461.8277 1464.5960 1467.8017 1471.5042 1474.6134 1476.7640 1484.8189 1487.5000 1490.5557 1579.9129 2852.5722 2916.8553 2951.6457 2958.5113 2959.9559 2974.1976 2988.6736 2997.6080 2999.1527 3002.7337 3013.5808 3017.5032 3022.7051 3027.6711 3045.0659 3050.5712 3058.6100 3071.5188 3072.9721 3090.6693 3094.2877 3103.8952 2.8821 1.7982 3.9071 3.8493 3.3739 1.9622 2.9288 1.9990 1.4518 1.6105 1.5800 3.0351 3.0627 3.9500 2.5710 1.9838 3.3266 2.3675 3.3152 3.2761 2.8424 3.4122 3.7052 5.4626 1.1109 3.7221 2.4792 1.4284 2.4255 2.6967 2.6859 1.8225 2.1428 1.3117 3.4846 2.0008 1.6114 2.0288 1.9576 2.7602 1.8281 1.6748 2.1406 1.5513 1.4676 2.5679 1.3400 2.9349 1.5707 2.6476 1.2872 1.3221 1.4614 1.4458 1.4577 2.0513 1.5583 1.1927 1.4055 1.0736 1.7177 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