Gaussian 09 GINC-KIMIK2035 CBGUSER 000090249 EM64L-G09RevD.01 16-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 206.1778999999999 0 1 AuxInfo=1/0/N:7,5,6,17,16,13,15,14,3,4,12,10,11,2,9,8,1/E:(2,3)(9,10)/CRV:4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,15.3,16.3/rA:36NCCCCCCC3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:s1;s2;s2;s3;s4;s5s6;s1;s8;s8;s9;s9;s10;s11s13;s11;s12;s15s16;s2;s3;s3;s4;s4;s5;s5;s6;s6;s7;s7;s1;s10;s12;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-5628.inp" -scrdir="/scratch/" chk=000090249.chk nprocshared=4 mem=7GB #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 000090249 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 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 15 15 16 16 17 2 8 29 3 4 18 5 19 20 6 21 22 7 23 24 7 25 26 27 28 9 10 11 12 13 30 14 15 16 31 14 32 33 17 34 17 35 36 1.4506 1.3827 1.0102 1.532 1.5319 1.0966 1.5288 1.0968 1.0978 1.5289 1.098 1.0947 1.5253 1.0962 1.0963 1.5254 1.096 1.0967 1.097 1.0958 1.4224 1.4114 1.4152 1.4044 1.3916 1.0853 1.4044 1.4043 1.3951 1.0854 1.3951 1.0862 1.088 1.3952 1.0879 1.3918 1.0862 1.086 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 8 1 1 1 3 3 4 2 2 2 5 5 19 2 2 2 6 6 21 3 3 3 7 7 23 4 4 4 7 7 25 5 5 5 6 6 27 1 1 9 8 8 11 8 8 13 9 9 14 9 9 16 10 10 14 11 11 13 11 11 17 12 12 17 15 15 16 1 1 1 2 2 2 2 2 2 3 3 3 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 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 8 29 29 3 4 18 4 18 18 5 19 20 19 20 20 6 21 22 21 22 22 7 23 24 23 24 24 7 25 26 25 26 26 6 27 28 27 28 28 9 10 10 11 12 12 13 30 30 14 15 15 16 31 31 14 32 32 13 33 33 17 34 34 17 35 35 16 36 36 123.5325 117.0506 119.0962 110.0801 110.0864 110.1788 111.5333 105.0535 109.8037 112.7739 110.3686 108.9175 109.2561 108.5689 106.7599 112.7728 108.4498 112.2944 108.3288 108.5104 106.208 111.6817 110.2362 109.3291 109.5684 109.4 106.4848 111.6742 109.5008 109.7499 109.4836 109.5411 106.7665 111.6684 109.396 109.6744 109.3998 109.6818 106.9013 122.7437 118.9655 118.2908 120.4439 120.282 119.2741 121.2654 122.9268 115.8075 119.2715 119.2778 121.4506 120.6845 122.9462 116.3688 120.0477 120.0722 119.8801 120.6806 120.5268 118.7926 120.6792 120.5388 118.782 120.0367 119.994 119.9692 120.0476 119.9497 120.0027 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 8 8 8 29 29 29 2 2 29 29 1 1 1 4 4 4 18 18 18 1 1 1 3 3 3 18 18 18 2 2 2 19 19 19 20 20 20 2 2 2 21 21 21 22 22 22 3 3 3 23 23 23 24 24 24 4 4 4 25 25 25 26 26 26 1 1 10 10 1 1 9 9 8 8 12 12 8 8 11 11 8 8 30 30 9 9 15 15 9 9 14 14 9 9 31 31 10 10 32 32 11 11 34 34 12 12 35 35 1 1 1 1 1 1 1 1 1 1 2 2 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 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 15 15 15 15 16 16 16 16 2 2 2 2 2 2 8 8 8 8 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 14 14 14 14 17 17 17 17 17 17 17 17 3 4 18 3 4 18 9 10 9 10 5 19 20 5 19 20 5 19 20 6 21 22 6 21 22 6 21 22 7 23 24 7 23 24 7 23 24 7 25 26 7 25 26 7 25 26 6 27 28 6 27 28 6 27 28 5 27 28 5 27 28 5 27 28 11 12 11 12 13 30 13 30 14 15 14 15 16 31 16 31 14 32 14 32 13 33 13 33 17 34 17 34 17 35 17 35 11 33 11 33 16 36 16 36 15 36 15 36 158.3133 -78.3346 42.9119 -28.2613 95.0908 -143.6628 179.9989 -0.0002 6.7005 -173.2986 71.0093 -51.4977 -168.3954 -51.4936 -174.0006 69.1017 -170.3939 67.0992 -49.7985 -70.9977 169.0294 51.9765 51.5016 -68.4713 174.4758 167.5319 47.559 -69.4939 53.335 -68.7184 174.5506 176.4634 54.41 -62.321 -67.4596 170.487 53.756 -53.349 -174.7817 68.327 66.6935 -54.7392 -171.6304 -178.4091 60.1582 -56.7331 -54.5393 66.7126 -176.3377 67.8973 -170.8508 -53.901 -175.7138 -54.4619 62.4879 54.5437 -66.706 176.3378 175.9864 54.7366 -62.2195 -67.2528 171.4975 54.5413 -179.998 0.0053 0.0011 -179.9955 -179.9866 -0.2023 0.0142 179.7985 -0.0152 -179.9951 179.9815 0.0016 179.9923 0.2497 -0.0044 -179.747 -0.0152 179.9484 -179.8142 0.1494 0.0144 -179.9844 179.9939 -0.0049 0.0032 179.9933 -179.9763 0.0138 0.0024 -179.9435 179.7613 -0.1846 0.0006 179.9994 -179.9631 0.0357 -0.0052 179.9854 -179.9955 -0.0049 0.0024 -179.9882 179.9483 -0.0423 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 216 216 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 36 36 36 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= 9870 NPrTT= 49869 LenC2= 9039 LenP2D= 29896. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 208 RedAO= T EigKep= 3.73D-04 NBF= 208 NBsUse= 208 1.00D-06 EigRej= -1.00D+00 NBFU= 208 Using GEDIIS/GDIIS optimizer. local minimum Step number 10 out of a maximum of 216 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00134 0.00567 0.00589 0.00646 0.00738 0.01681 0.01759 0.01905 0.01929 0.01987 0.02001 0.02026 0.02051 0.02072 0.02087 0.02093 0.02096 0.02129 0.02163 0.02169 0.02174 0.02180 0.02388 0.03754 0.03916 0.04216 0.04545 0.04737 0.04815 0.04878 0.05481 0.05515 0.05688 0.06260 0.06710 0.07983 0.08125 0.08161 0.08225 0.08255 0.08437 0.08725 0.12070 0.12193 0.14059 0.14866 0.15535 0.15956 0.16000 0.16001 0.16003 0.16011 0.16124 0.16137 0.17447 0.21279 0.21991 0.22096 0.22350 0.22769 0.23638 0.24258 0.24946 0.27895 0.28188 0.28352 0.29390 0.29740 0.30170 0.33158 0.33887 0.33951 0.34016 0.34040 0.34070 0.34097 0.34107 0.34133 0.34178 0.34358 0.34775 0.35033 0.35064 0.35252 0.35264 0.35321 0.35582 0.35835 0.38225 0.39303 0.41365 0.41975 0.43495 0.44002 0.44980 0.45585 0.45871 0.45944 0.46496 0.48349 0.50313 0.52306 RFO step: Lambda=-1.59996072D-08. 1 2 0.00089858 0.00000064 0.00000192 0.00000191 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 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 2.78582 2.63251 1.92271 2.93144 2.94568 2.09784 2.92769 2.09286 2.09325 2.92180 2.09753 2.08972 2.92449 2.09922 2.09176 2.92516 2.09169 2.09520 2.09795 2.09214 2.75922 2.67136 2.74050 2.70917 2.68963 2.06608 2.70943 2.71219 2.64374 2.07301 2.63758 2.07148 2.07006 2.63807 2.07270 2.69915 2.07028 2.07044 2.18677 2.03315 2.06323 1.90868 1.96352 1.88478 1.92165 1.88636 1.89693 1.96835 1.91291 1.88262 1.93508 1.89464 1.86659 1.95662 1.88783 1.91509 1.91262 1.92043 1.86889 1.94101 1.93043 1.90976 1.90441 1.92657 1.84960 1.94605 1.91551 1.90471 1.92354 1.91101 1.86098 1.94001 1.90218 1.92345 1.90608 1.92610 1.86423 2.08784 2.12302 2.07229 2.07800 2.14243 2.06275 2.11351 2.09792 2.07173 2.09740 2.07531 2.11047 2.12297 2.10888 2.05133 2.11853 2.06962 2.09503 2.08658 2.08305 2.11355 2.12040 2.06385 2.09894 2.09546 2.09497 2.09275 2.08947 2.10157 2.09215 2.80411 -1.33800 0.75538 -0.32745 1.81362 -2.37619 3.12856 -0.02297 -0.02322 3.10844 1.22529 -0.93956 -2.96584 -0.94056 -3.10541 1.15150 -3.01016 1.10818 -0.91810 -1.19091 2.98158 0.94846 0.94284 -1.16785 3.08222 3.00594 0.89525 -1.13787 0.95754 -1.16150 3.09048 3.11012 0.99108 -1.04012 -1.12758 3.03657 1.00537 -0.96886 -3.10530 1.14442 1.12745 -1.00899 -3.04245 -3.10521 1.04154 -0.99193 -0.95456 1.14708 -3.09567 1.17961 -3.00194 -0.96150 -3.07774 -0.97610 1.06434 0.96622 -1.13310 3.10580 3.09804 0.99871 -1.04557 -1.14338 3.04048 0.99619 3.12214 -0.01875 -0.00981 3.13248 -3.12058 0.01462 0.01117 -3.13682 0.00392 -3.13762 -3.13835 0.00330 3.13777 -0.00804 -0.00313 3.13425 -0.00652 3.13683 3.14138 0.00155 0.00086 3.14051 -3.14078 -0.00114 -0.00103 3.14072 3.14062 -0.00082 0.00060 3.14062 -3.13691 0.00311 0.00030 -3.13932 3.14010 0.00049 -0.00155 3.14135 3.13989 -0.00040 0.00179 -3.14110 -3.13824 0.00206 0.00001 0.00002 -0.00001 -0.00002 0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00002 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00002 0.00001 0.00001 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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-0.00008 -0.00010 0.00005 0.00002 0.00010 0.00007 -0.00004 0.00000 -0.00009 -0.00005 0.00000 -0.00004 0.00008 0.00003 -0.00010 -0.00007 -0.00008 -0.00005 -0.00001 0.00003 -0.00005 -0.00002 0.00002 -0.00001 0.00007 0.00004 0.00008 0.00006 -0.00002 -0.00007 -0.00005 -0.00003 -0.00005 -0.00005 0.00001 0.00002 -0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00003 -0.00002 -0.00001 -0.00001 -0.00001 0.00003 0.00000 0.00000 -0.00006 -0.00001 -0.00002 -0.00001 -0.00003 0.00000 -0.00001 -0.00003 -0.00001 0.00000 0.00000 0.00000 -0.00003 -0.00001 -0.00001 -0.00007 0.00007 0.00000 0.00007 -0.00008 -0.00007 0.00003 0.00003 0.00002 -0.00006 -0.00002 0.00001 0.00005 -0.00002 0.00004 -0.00005 0.00002 -0.00005 -0.00003 0.00008 0.00004 -0.00002 0.00002 0.00009 -0.00003 -0.00001 -0.00004 -0.00007 0.00008 -0.00002 0.00003 -0.00002 0.00000 -0.00001 0.00000 0.00000 -0.00004 0.00007 -0.00002 -0.00004 0.00005 -0.00001 -0.00003 0.00004 -0.00001 0.00001 0.00000 -0.00002 0.00002 0.00000 -0.00002 0.00002 -0.00004 0.00002 -0.00001 -0.00002 0.00003 0.00001 -0.00004 0.00003 0.00000 -0.00003 0.00002 0.00000 0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00129 -0.00126 -0.00132 -0.00060 -0.00056 -0.00063 0.00117 0.00137 0.00047 0.00067 -0.00011 -0.00012 -0.00016 -0.00008 -0.00009 -0.00013 -0.00014 -0.00015 -0.00019 0.00005 0.00011 0.00008 0.00011 0.00017 0.00014 0.00017 0.00023 0.00020 0.00005 0.00009 0.00007 0.00002 0.00006 0.00004 0.00009 0.00013 0.00011 -0.00008 -0.00013 -0.00017 -0.00011 -0.00016 -0.00020 -0.00004 -0.00009 -0.00013 -0.00011 -0.00016 -0.00019 -0.00012 -0.00017 -0.00020 -0.00019 -0.00025 -0.00027 0.00010 0.00013 0.00014 0.00018 0.00021 0.00021 0.00019 0.00022 0.00023 -0.00027 -0.00035 -0.00047 -0.00054 0.00023 0.00039 0.00042 0.00059 0.00018 0.00011 0.00026 0.00018 -0.00006 -0.00020 -0.00014 -0.00027 -0.00008 -0.00008 -0.00025 -0.00025 0.00016 0.00010 0.00023 0.00017 -0.00009 -0.00002 -0.00017 -0.00009 0.00000 -0.00008 0.00013 0.00005 -0.00021 -0.00015 -0.00021 -0.00015 -0.00005 -0.00001 -0.00012 -0.00009 0.00009 0.00006 0.00017 0.00014 2.78591 2.63257 1.92269 2.93138 2.94563 2.09781 2.92765 2.09281 2.09327 2.92181 2.09752 2.08971 2.92450 2.09922 2.09176 2.92513 2.09167 2.09519 2.09795 2.09213 2.75925 2.67137 2.74050 2.70912 2.68962 2.06605 2.70942 2.71216 2.64373 2.07301 2.63754 2.07147 2.07006 2.63807 2.07270 2.69912 2.07026 2.07043 2.18670 2.03322 2.06323 1.90875 1.96344 1.88471 1.92168 1.88639 1.89695 1.96829 1.91289 1.88263 1.93513 1.89462 1.86663 1.95657 1.88785 1.91504 1.91259 1.92051 1.86893 1.94099 1.93045 1.90985 1.90438 1.92655 1.84956 1.94598 1.91559 1.90469 1.92358 1.91099 1.86098 1.94000 1.90218 1.92345 1.90604 1.92617 1.86421 2.08780 2.12306 2.07228 2.07797 2.14247 2.06274 2.11353 2.09793 2.07172 2.09742 2.07531 2.11045 2.12299 2.10883 2.05135 2.11852 2.06960 2.09506 2.08659 2.08301 2.11358 2.12040 2.06382 2.09896 2.09546 2.09497 2.09276 2.08946 2.10158 2.09215 2.80282 -1.33926 0.75405 -0.32805 1.81306 -2.37682 3.12973 -0.02159 -0.02275 3.10910 1.22518 -0.93968 -2.96601 -0.94064 -3.10550 1.15136 -3.01029 1.10803 -0.91829 -1.19086 2.98169 0.94854 0.94295 -1.16768 3.08236 3.00611 0.89548 -1.13767 0.95759 -1.16141 3.09055 3.11014 0.99114 -1.04007 -1.12749 3.03670 1.00548 -0.96895 -3.10543 1.14425 1.12734 -1.00915 -3.04265 -3.10525 1.04145 -0.99205 -0.95467 1.14691 -3.09585 1.17949 -3.00211 -0.96169 -3.07793 -0.97635 1.06407 0.96633 -1.13297 3.10594 3.09821 0.99892 -1.04536 -1.14319 3.04070 0.99642 3.12186 -0.01910 -0.01028 3.13194 -3.12035 0.01501 0.01159 -3.13623 0.00410 -3.13751 -3.13809 0.00348 3.13770 -0.00824 -0.00327 3.13397 -0.00660 3.13675 3.14113 0.00130 0.00102 3.14061 -3.14055 -0.00096 -0.00112 3.14070 3.14045 -0.00091 0.00060 3.14054 -3.13678 0.00316 0.00008 -3.13947 3.13989 0.00034 -0.00159 3.14134 3.13977 -0.00049 0.00188 -3.14105 -3.13806 0.00219 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000019 0.000005 0.003884 0.000899 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -5.503438e-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 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 15 15 16 16 17 2 8 29 3 4 18 5 19 20 6 21 22 7 23 24 7 25 26 27 28 9 10 11 12 13 30 14 15 16 31 14 32 33 17 34 17 35 36 1.4742 1.3931 1.0175 1.5513 1.5588 1.1101 1.5493 1.1075 1.1077 1.5461 1.11 1.1058 1.5476 1.1109 1.1069 1.5479 1.1069 1.1087 1.1102 1.1071 1.4601 1.4136 1.4502 1.4336 1.4233 1.0933 1.4338 1.4352 1.399 1.097 1.3957 1.0962 1.0954 1.396 1.0968 1.4283 1.0955 1.0956 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 8 1 1 1 3 3 4 2 2 2 5 5 19 2 2 2 6 6 21 3 3 3 7 7 23 4 4 4 7 7 25 5 5 5 6 6 27 1 1 9 8 8 11 8 8 13 9 9 14 9 9 16 10 10 14 11 11 13 11 11 17 12 12 17 15 15 16 1 1 1 2 2 2 2 2 2 3 3 3 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 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 8 29 29 3 4 18 4 18 18 5 19 20 19 20 20 6 21 22 21 22 22 7 23 24 23 24 24 7 25 26 25 26 26 6 27 28 27 28 28 9 10 10 11 12 12 13 30 30 14 15 15 16 31 31 14 32 32 13 33 33 17 34 34 17 35 35 16 36 36 125.2926 116.4906 118.2143 109.3593 112.5014 107.9897 110.1023 108.0805 108.6859 112.7782 109.6015 107.8663 110.8719 108.5549 106.9476 112.1062 108.1647 109.7267 109.5851 110.0326 107.0796 111.2119 110.6053 109.4211 109.1147 110.384 105.9743 111.5006 109.7505 109.132 110.2108 109.4928 106.6261 111.1544 108.987 110.2056 109.2105 110.3576 106.8124 119.6242 121.6399 118.7335 119.0605 122.7524 118.1871 121.0953 120.2021 118.7017 120.1725 118.9065 120.921 121.6372 120.8298 117.5326 121.3831 118.5805 120.0364 119.5523 119.35 121.0977 121.49 118.2498 120.2603 120.0612 120.0329 119.9059 119.7177 120.4109 119.8714 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 8 8 8 29 29 29 2 2 29 29 1 1 1 4 4 4 18 18 18 1 1 1 3 3 3 18 18 18 2 2 2 19 19 19 20 20 20 2 2 2 21 21 21 22 22 22 3 3 3 23 23 23 24 24 24 4 4 4 25 25 25 26 26 26 1 1 10 10 1 1 9 9 8 8 12 12 8 8 11 11 8 8 30 30 9 9 15 15 9 9 14 14 9 9 31 31 10 10 32 32 11 11 34 34 12 12 35 1 1 1 1 1 1 1 1 1 1 2 2 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 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 15 15 15 15 16 16 16 2 2 2 2 2 2 8 8 8 8 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 14 14 14 14 17 17 17 17 17 17 17 3 4 18 3 4 18 9 10 9 10 5 19 20 5 19 20 5 19 20 6 21 22 6 21 22 6 21 22 7 23 24 7 23 24 7 23 24 7 25 26 7 25 26 7 25 26 6 27 28 6 27 28 6 27 28 5 27 28 5 27 28 5 27 28 11 12 11 12 13 30 13 30 14 15 14 15 16 31 16 31 14 32 14 32 13 33 13 33 17 34 17 34 17 35 17 35 11 33 11 33 16 36 16 36 15 36 15 160.6639 -76.6618 43.2798 -18.7613 103.9129 -136.1454 179.2532 -1.316 -1.3306 178.1002 70.2038 -53.8329 -169.9302 -53.8901 -177.9268 65.9758 -172.4692 63.4941 -52.6032 -68.2344 170.8317 54.3427 54.021 -66.9129 176.5981 172.2278 51.2939 -65.1951 54.8629 -66.5491 177.0715 178.1969 56.785 -59.5945 -64.6053 173.9827 57.6033 -55.5119 -177.9208 65.5703 64.5983 -57.8106 -174.3195 -177.9153 59.6758 -56.8331 -54.6922 65.7226 -177.3686 67.5866 -171.9986 -55.0897 -176.3414 -55.9265 60.9823 55.3606 -64.9221 177.9492 177.5045 57.2218 -59.9069 -65.5109 174.2064 57.0777 178.8853 -1.0746 -0.5622 179.478 -178.7958 0.8375 0.64 -179.7267 0.2244 -179.7726 -179.814 0.1891 179.7808 -0.4608 -0.1793 179.579 -0.3735 179.7273 179.9877 0.0886 0.0494 179.9379 -179.9537 -0.0652 -0.059 179.95 179.9441 -0.0469 0.0342 179.9441 -179.7318 0.1782 0.0169 -179.8695 179.9147 0.0282 -0.0886 179.9863 179.9022 -0.0229 0.1024 -179.972 -179.8076 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 206.1778999999999 AuxInfo=1/0/N:7,5,6,17,16,13,15,14,3,4,12,10,11,2,9,8,1/E:(2,3)(9,10)/CRV:4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,15.3,16.3/rA:36NCCCCCCC3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:s1;s2;s2;s3;s4;s5s6;s1;s8;s8;s9;s9;s10;s11s13;s11;s12;s15s16;s2;s3;s3;s4;s4;s5;s5;s6;s6;s7;s7;s1;s10;s12;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.450633 0.000000 2.444854 1.531980 0.000000 2.444849 1.531862 2.533042 0.000000 3.076889 2.548990 1.528785 2.954834 0.000000 3.076808 2.548939 2.954878 1.528859 2.524189 0.000000 3.662273 2.970558 2.527206 2.527214 1.525310 1.525380 0.000000 1.382700 2.496445 3.740420 3.199735 4.449292 4.007016 4.885874 0.000000 2.462284 3.809163 4.869508 4.474781 5.368865 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2.171575 3.432423 5.372323 5.934541 6.214513 2.167283 4.489101 4.517940 3.402247 2.361288 5.319381 6.179129 4.848498 4.340144 5.680181 6.277001 3.714263 0.000000 2.625199 3.990797 4.356017 4.844163 4.285812 4.768576 5.096007 2.800421 2.206956 4.200037 3.480826 1.096990 4.962790 4.698416 3.917395 2.139963 3.428139 4.663502 4.176477 5.457803 5.870953 4.993338 3.368489 5.022467 5.710843 3.971880 6.091527 5.405793 1.899682 4.932879 0.000000 4.620659 5.032602 6.515409 5.236673 7.493383 6.400059 7.618988 3.448602 3.947312 2.172582 3.443011 5.379997 1.096178 2.163651 4.655524 6.196447 5.893635 4.564652 6.708627 6.964150 5.740169 4.400856 7.420266 8.506223 6.822011 6.213083 8.053840 8.459541 5.492616 2.472761 6.042230 0.000000 5.368658 6.338385 7.701905 6.733777 8.439740 7.552601 8.730164 3.975721 3.487888 3.455491 2.189814 4.662294 2.174274 1.095430 2.722256 4.915780 4.114378 6.143411 7.714762 8.418551 7.510653 5.964858 8.037857 9.446053 8.065351 7.013623 9.412021 9.391786 5.915674 4.338079 5.642179 2.510250 0.000000 5.913220 7.228736 8.341012 7.787742 8.782334 8.244458 9.241718 4.685424 3.471232 4.901919 2.180159 3.917961 4.092966 2.704024 1.096828 3.441691 2.166814 7.311540 8.204689 9.261432 8.749071 7.204012 8.098117 9.706137 8.861510 7.450781 10.117508 9.701552 6.059250 5.971904 5.014217 4.801420 2.467763 0.000000 4.972879 6.401839 6.789162 7.177475 6.618742 7.004448 7.376697 4.703971 3.462803 5.922972 3.949346 2.166016 6.195443 5.383100 3.432954 1.095543 2.191044 6.983449 6.501145 7.892176 8.241994 7.159167 5.602160 7.244095 7.829578 6.060372 8.425377 7.498572 4.348942 6.865395 2.454532 7.274495 5.993489 4.345388 0.000000 6.246575 7.713432 8.470863 8.396657 8.574578 8.487921 9.193357 5.421967 3.962127 6.208365 3.463398 3.438614 5.888407 4.661748 2.167419 2.190742 1.095629 8.062492 8.217686 9.524487 9.457218 8.069571 7.665650 9.344471 9.201183 7.542682 10.201494 9.435869 5.973071 7.289686 4.322156 6.816362 4.812001 2.503337 2.520223 0.000000 0.9009214 0.2725083 0.2300303 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= 204 204 204 204 204 MxSgAt= 36 MxSgA2= 36. 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 36 36 36 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 36 36 36 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 36 36 36 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 36 36 36 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 36 36 36 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 36 36 36 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 36 36 36 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 36 36 36 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 36 36 36 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= 9870 NPrTT= 49869 LenC2= 9016 LenP2D= 29707. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 208 RedAO= T EigKep= 3.96D-04 NBF= 208 NBsUse= 208 1.00D-06 EigRej= -1.00D+00 NBFU= 208 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= 205 206 206 206 206 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 0 1 -674.590479942098 -674.716027830039 -0.125547887941 -674.899597451042 -0.183569621003 -674.898206635849 0.001390815193 -674.928646425117 -0.030439789268 -674.929613846555 -0.000967421437 -674.929649333241 -0.000035486686 -674.929667317240 -0.000017983999 -674.929772822373 -0.000105505133 -674.929772511466 0.000000310907 -674.929773499487 -0.000000988021 -674.929773590385 -0.000000090898 -674.929773614257 -0.000000023873 -674.929773615184 -0.000000000927 -674.929773615346 -0.000000000161 -674.929773615379 -0.000000000033 -674.929773615382 -0.000000000003 -674.929773615 17 6.723525996317e+02 -3.893517950762e+03 1.382987542319e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=240953186. IVT= 150910 IEndB= 150910 NGot= 939524096 MDV= 703135471 LenX= 703135471 LenY= 703091766 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= 21736 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -1.03462750e+00 -3.18063796e-01 -5.39092782e-02 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 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.009367183 -0.007157929 -0.005273240 -0.003128228 0.000130105 -0.001726807 -0.003700682 -0.004275480 -0.000743099 -0.010057349 0.006775101 0.005561879 -0.004138768 -0.001596778 -0.002213489 -0.000435301 -0.000254351 0.002052716 -0.002063502 -0.003580247 0.003324938 -0.017142987 0.024817947 -0.000921649 -0.015114261 -0.012459913 -0.002156387 -0.013033804 0.000302123 -0.002764008 0.004337119 0.009451650 0.000876921 0.007949480 -0.020400252 0.000897992 0.021062307 -0.000424278 0.002188130 0.004278785 0.026095340 0.001365316 0.016077727 -0.016092487 0.002145911 -0.019630568 -0.012448003 -0.003267832 0.021402328 0.012435745 0.003723104 0.006570296 0.006625982 -0.001997634 0.004270377 0.000273684 -0.006149890 -0.004317363 0.004691580 -0.001009789 -0.006344661 0.005817214 -0.001564951 0.007398891 0.003716148 -0.000754481 0.005893800 -0.006964289 0.001969017 -0.003628513 -0.004943968 -0.004039767 -0.001308089 0.002685934 0.006491785 0.006178909 -0.004226553 0.002391910 -0.006668486 0.004435485 -0.001662145 -0.003627122 -0.005459696 0.004271185 0.000022305 -0.006632809 -0.001012150 -0.007314624 -0.002005893 -0.000820471 -0.007512548 -0.001185795 -0.001609310 -0.000440002 0.006162547 0.000087297 0.006164799 0.000087136 0.001119291 0.003386325 0.005317502 0.000654025 -0.000592351 -0.006503400 -0.000278988 0.005838577 -0.003209102 0.000844670 0.026095340 0.007726773 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -674.942560315094 -674.942577717656 -0.000017402563 -674.942577716668 0.000000000988 -674.942577754063 -0.000000037395 -674.942577774763 -0.000000020700 -674.942577776188 -0.000000001425 -674.942577776249 -0.000000000060 -674.942577776271 -0.000000000022 -674.942577776 8 6.712786007595e+02 -3.859711045227e+03 1.366725409970e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=240953186. IVT= 150910 IEndB= 150910 NGot= 939524096 MDV= 703135471 LenX= 703135471 LenY= 703091766 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= 21736 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 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 -14.005753 -9.941419 -9.937990 -9.907794 -9.905368 -9.903215 -9.900605 -9.899632 -9.899468 -9.898349 -9.896399 -9.893394 -9.893194 -9.890569 -9.889748 -9.885907 -9.882012 -0.854373 -0.779151 -0.748336 -0.728577 -0.689906 -0.672826 -0.664360 -0.659427 -0.632020 -0.564342 -0.557136 -0.551240 -0.540765 -0.526370 -0.491771 -0.480292 -0.449235 -0.436749 -0.432727 -0.418368 -0.410893 -0.397104 -0.388678 -0.378900 -0.375702 -0.360077 -0.352562 -0.347630 -0.337427 -0.335053 -0.332610 -0.330803 -0.319600 -0.306796 -0.291072 -0.288569 -0.286103 -0.277821 -0.270045 -0.263914 -0.256340 -0.211824 -0.211161 -0.153355 -0.053869 -0.030689 0.012011 0.045890 0.060039 0.088213 0.092760 0.100143 0.105557 0.115320 0.117035 0.121797 0.130022 0.132703 0.138862 0.143074 0.146381 0.156233 0.159163 0.171590 0.174982 0.178665 0.179778 0.184937 0.192194 0.198053 0.202968 0.207119 0.212229 0.219976 0.221692 0.226685 0.235119 0.238176 0.251040 0.259937 0.261224 0.277181 0.279905 0.286428 0.298694 0.305976 0.308975 0.313165 0.319101 0.322741 0.329839 0.339311 0.346663 0.348536 0.354456 0.365369 0.367648 0.374854 0.380526 0.391320 0.394325 0.396411 0.406070 0.408443 0.410464 0.415255 0.425988 0.428249 0.432841 0.437347 0.444030 0.448286 0.461761 0.474169 0.484278 0.490189 0.500245 0.509292 0.518564 0.528052 0.535176 0.581393 0.588282 0.593747 0.601983 0.633074 0.643496 0.655524 0.662173 0.694852 0.708597 0.720446 0.723933 0.736212 0.774585 0.795509 0.826520 0.851448 0.870328 0.901407 0.915318 0.937456 0.950693 0.968393 0.970408 0.979127 1.000196 1.006788 1.016704 1.037568 1.047813 1.062694 1.092635 1.106369 1.108864 1.128726 1.138215 1.144500 1.169713 1.174038 1.194739 1.214444 1.221274 1.228988 1.265877 1.277811 1.302348 1.344286 1.371664 1.402134 1.439283 1.457453 1.485894 1.605538 22.277819 22.467296 22.491755 22.579337 22.586934 22.594203 22.604947 22.636188 22.657564 22.667144 22.672907 22.685817 22.702897 22.735496 22.778707 22.804348 31.573248 22.045551 15.955940 15.960033 15.953506 15.953938 15.954598 15.957364 15.958417 15.955777 15.955762 15.954506 15.955572 15.958563 15.957475 15.958267 15.954610 15.954469 1.783499 1.481144 1.403786 1.510239 1.558730 1.394866 1.576937 1.618707 1.625490 1.452638 1.468361 1.384999 1.489116 1.357635 1.345947 1.202729 1.419517 1.119830 1.059216 1.189658 1.264228 1.018700 1.107428 1.329623 1.265894 1.396560 1.124159 1.248574 1.061239 1.149459 1.297050 1.305345 1.317045 1.115135 1.149430 1.394618 1.441158 1.201652 1.204553 1.331914 1.197644 1.308413 1.166860 1.455228 1.413013 1.419699 1.508640 1.283797 1.578655 1.147256 1.072225 1.048772 1.107905 1.150885 1.271370 1.282277 1.235222 1.128087 1.116337 1.126857 1.657096 1.283323 1.314279 1.446464 1.272041 1.280811 1.393998 1.353860 1.356794 1.267630 1.283188 1.294518 1.152966 1.468537 1.260481 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0.50236 0.20304 0.51874 0.24812 0.52151 0.28836 0.51732 0.26531 0.51619 0.24996 0.51643 0.24833 0.51674 0.25986 0.51643 0.25836 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 N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.460791 -0.045113 -0.480326 -0.420940 -0.413168 -0.394309 -0.377043 0.324594 0.165865 -0.413637 0.437416 -0.350262 -0.246597 -0.489051 -0.430618 -0.279505 -0.245743 0.223222 0.219363 0.203377 0.191145 0.228860 0.186686 0.208687 0.200760 0.209431 0.191961 0.202787 0.294599 0.233142 0.190130 0.217366 0.233854 0.235245 0.223401 0.225212 0.00000 -1.01569258e+00 -3.23773935e-01 -1.08092832e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.5816 -0.8230 -0.2747 2.7235 -91.8881 -94.5563 -107.6780 -0.8535 3.0604 0.5697 6.1527 3.4845 -9.6372 -0.8535 3.0604 0.5697 54.4813 0.1226 -3.8791 20.8257 1.0143 3.8661 -3.8926 -0.2076 -1.9939 0.8803 -4640.4889 -1277.9479 -443.5376 -43.8223 69.7108 -37.2333 -5.4577 -2.3131 -3.0754 -993.7521 -933.1826 -329.0136 -2.4828 12.4626 -2.2018 0 -674.9425778 7.143E-9 1.001E-5 4.5743695,2.5906373,-7.1650069,-0.6345529,2.2753542,0.4235329 C01 [X(C16H19N1)] -1.0156926 -0.3237739 -0.1080928 @ -0.000010691 -0.000033525 0.000028740 -0.000014459 -0.000004306 -0.000042906 0.000015737 0.000007628 -0.000002179 0.000004344 0.000003915 0.000009965 0.000000231 0.000012259 -0.000009319 -0.000008706 0.000015385 0.000001060 0.000005499 -0.000001009 0.000007590 0.000003467 0.000018123 -0.000033536 0.000022475 -0.000017030 -0.000000152 -0.000001275 -0.000005510 0.000000889 -0.000020213 -0.000014630 -0.000005503 0.000001639 0.000007720 0.000006214 0.000017159 0.000004649 0.000000197 -0.000008948 0.000008977 -0.000001200 0.000005109 -0.000001832 0.000002319 -0.000002452 -0.000001814 0.000003147 0.000000263 0.000000739 0.000006459 -0.000000717 -0.000004389 0.000005108 -0.000006178 0.000002592 0.000012779 -0.000003307 -0.000002905 0.000000047 0.000002685 -0.000001786 -0.000007445 -0.000001337 0.000002038 -0.000014629 -0.000004557 0.000000723 0.000005996 0.000002529 -0.000005459 0.000010268 0.000004679 -0.000001651 -0.000004169 -0.000003734 0.000004666 -0.000002224 0.000005099 0.000005882 0.000001042 -0.000005560 0.000009832 -0.000003824 0.000000972 0.000008672 0.000012136 0.000007903 -0.000001267 0.000006009 0.000002077 0.000001311 0.000009034 -0.000002970 -0.000006223 -0.000009261 0.000004281 -0.000008933 -0.000007862 -0.000003564 0.000000264 0.000000796 0.000000929 0.000001790 0.000010495 -0.000008407 -0.000004898 0.000003920 206.1778999999999 AuxInfo=1/0/N:7,5,6,17,16,13,15,14,3,4,12,10,11,2,9,8,1/E:(2,3)(9,10)/CRV:4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,15.3,16.3/rA:36NCCCCCCC3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:s1;s2;s2;s3;s4;s5s6;s1;s8;s8;s9;s9;s10;s11s13;s11;s12;s15s16;s2;s3;s3;s4;s4;s5;s5;s6;s6;s7;s7;s1;s10;s12;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2035 CBGUSER 000090249 EM64L-G09RevD.01 16-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 102 C1[X(C16H19N)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 206.1778999999999 0 1 AuxInfo=1/0/N:7,5,6,17,16,13,15,14,3,4,12,10,11,2,9,8,1/E:(2,3)(9,10)/CRV:4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,15.3,16.3/rA:36NCCCCCCC3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:s1;s2;s2;s3;s4;s5s6;s1;s8;s8;s9;s9;s10;s11s13;s11;s12;s15s16;s2;s3;s3;s4;s4;s5;s5;s6;s6;s7;s7;s1;s10;s12;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-6302.inp" -scrdir="/scratch/" chk=000090249-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 000090249 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 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000065 0.000015 0.020240 0.005858 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -7.622158e-07 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1146.7644266089 208 484 208 61 61 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 36 36 36 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 0 206.1778999999999 AuxInfo=1/0/N:7,5,6,17,16,13,15,14,3,4,12,10,11,2,9,8,1/E:(2,3)(9,10)/CRV:4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,15.3,16.3/rA:36NCCCCCCC3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:s1;s2;s2;s3;s4;s5s6;s1;s8;s8;s9;s9;s10;s11s13;s11;s12;s15s16;s2;s3;s3;s4;s4;s5;s5;s6;s6;s7;s7;s1;s10;s12;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.474195 0.000000 2.468963 1.551254 0.000000 2.522291 1.558787 2.549191 0.000000 3.097981 2.582164 1.549268 2.989594 0.000000 3.126683 2.575726 2.978497 1.546149 2.553448 0.000000 3.713111 3.015779 2.555429 2.557542 1.547576 1.547930 0.000000 1.393066 2.546936 3.791785 3.298537 4.476064 4.051928 4.937872 0.000000 2.466467 3.861786 4.890424 4.592357 5.335295 5.048825 5.882680 1.460116 0.000000 2.450520 2.986471 4.450316 3.444608 5.361402 4.547409 5.620200 1.413625 2.472814 0.000000 3.779327 5.054685 6.218463 5.655985 6.748122 6.219034 7.203571 2.508406 1.450209 2.844277 0.000000 2.924423 4.393834 5.049094 5.196019 5.171202 5.301126 5.869944 2.540119 1.433633 3.805026 2.474371 0.000000 3.751493 4.409679 5.860884 4.763466 6.746798 5.805270 6.972212 2.470290 2.851332 1.423289 2.444961 4.283837 0.000000 4.273246 5.266390 6.616646 5.717211 7.346302 6.533620 7.666497 2.880293 2.499779 2.458227 1.433769 3.791677 1.395746 0.000000 4.951119 6.323744 7.361133 6.942511 7.743766 7.332701 8.252190 3.815146 2.484993 4.279428 1.435227 2.821164 3.762685 2.496072 0.000000 4.323222 5.792705 6.393791 6.554101 6.413818 6.560516 7.111146 3.820751 2.473178 4.945490 2.853808 1.399005 5.124742 4.287567 2.442515 0.000000 5.175696 6.636714 7.444748 7.328855 7.614191 7.487221 8.223314 4.326340 2.866528 5.139855 2.470194 2.449340 4.915109 3.778263 1.396008 1.428328 0.000000 2.101551 1.110128 2.169719 2.184263 3.517254 3.517756 3.980809 2.744816 4.147574 2.747236 5.151492 4.905146 4.103088 5.124384 6.495939 6.281129 6.975180 0.000000 2.669356 2.187610 1.107496 3.511152 2.202134 3.989695 3.522174 3.902107 4.837033 4.662902 6.158513 4.881547 6.003220 6.645296 7.217219 6.156825 7.226855 2.521942 0.000000 3.405405 2.165120 1.107702 2.808425 2.172423 3.372577 2.818634 4.631117 5.847090 5.043835 7.109142 6.116843 6.450199 7.354950 8.318845 7.474670 8.484237 2.423175 1.780100 0.000000 3.449533 2.177294 2.823693 1.109963 3.397369 2.184750 2.837892 4.224775 5.593186 4.151823 6.606123 6.245036 5.435639 6.528496 7.938454 7.618730 8.380296 2.437389 3.827544 2.628601 0.000000 2.741673 2.194616 3.508609 1.105834 3.992834 2.187426 3.515065 3.031251 4.295055 2.858257 5.137840 5.120789 4.013916 5.014523 6.456235 6.420256 7.005065 2.550401 4.352254 3.817627 1.782101 0.000000 2.848967 2.898073 2.201269 3.432226 1.110860 2.851479 2.180574 4.150192 4.736162 5.256461 6.176700 4.336086 6.559272 6.956904 7.029412 5.487718 6.754944 3.911143 2.534647 3.100351 4.104745 4.260213 0.000000 4.082466 3.529544 2.183100 3.986883 1.106913 3.515554 2.193988 5.473009 6.275685 6.373594 7.707694 5.986770 7.764262 8.351141 8.649216 7.158541 8.425556 4.332720 2.532203 2.483927 4.211683 5.034675 1.770895 0.000000 4.122176 3.530164 3.983223 2.184582 3.514508 1.106876 2.192058 4.879048 5.855637 5.189060 6.905458 6.172317 6.339316 7.107927 8.010958 7.374705 8.222873 4.345516 5.036222 4.197505 2.504513 2.521334 3.856057 4.358954 0.000000 2.843973 2.856982 3.392713 2.177966 2.838556 1.108730 2.184204 3.623805 4.359915 4.334859 5.528668 4.472749 5.492189 6.008090 6.520674 5.646448 6.580510 3.876460 4.229551 4.058203 3.094602 2.494466 2.687796 3.853847 1.776721 0.000000 4.433712 3.421159 2.835291 2.835491 2.178416 2.181631 1.110190 5.651159 6.737081 6.148016 8.024648 6.840947 7.520862 8.355596 9.152879 8.124476 9.206031 4.184322 3.844724 2.646175 2.664506 3.841689 3.090384 2.494411 2.503760 3.095925 0.000000 4.492338 4.022325 3.516562 3.518522 2.191857 2.194113 1.107115 5.675411 6.442013 6.464125 7.767354 6.241399 7.764888 8.343802 8.696083 7.363541 8.532757 5.037503 4.367143 3.829881 3.847804 4.357136 2.488803 2.543977 2.537030 2.508890 1.780235 0.000000 1.017454 2.132265 2.532187 3.147601 2.764080 3.324281 3.611356 2.077508 2.622572 3.354210 4.061647 2.536029 4.545641 4.836256 5.016595 3.886059 4.960010 2.913364 2.561854 3.612842 4.086636 3.525751 2.198471 3.656925 4.379780 2.872290 4.471405 4.217421 0.000000 2.705203 2.652099 4.143843 2.935762 5.195565 4.282093 5.335350 2.179142 3.472292 1.093321 3.937100 4.709895 2.171576 3.432423 5.372323 5.934541 6.214514 2.167283 4.489101 4.517940 3.402247 2.361288 5.319381 6.179129 4.848498 4.340144 5.680181 6.277000 3.714262 0.000000 2.625200 3.990798 4.356018 4.844163 4.285813 4.768577 5.096007 2.800422 2.206956 4.200038 3.480826 1.096991 4.962790 4.698416 3.917396 2.139963 3.428139 4.663502 4.176477 5.457804 5.870954 4.993338 3.368489 5.022467 5.710843 3.971881 6.091527 5.405792 1.899683 4.932879 0.000000 4.620660 5.032601 6.515409 5.236673 7.493382 6.400058 7.618988 3.448601 3.947312 2.172582 3.443011 5.379997 1.096178 2.163650 4.655523 6.196447 5.893635 4.564652 6.708626 6.964149 5.740169 4.400856 7.420265 8.506223 6.822011 6.213082 8.053840 8.459540 5.492615 2.472761 6.042230 0.000000 5.368659 6.338385 7.701905 6.733778 8.439741 7.552601 8.730164 3.975721 3.487888 3.455491 2.189814 4.662294 2.174274 1.095430 2.722256 4.915780 4.114377 6.143411 7.714762 8.418551 7.510653 5.964859 8.037857 9.446054 8.065351 7.013623 9.412021 9.391786 5.915673 4.338080 5.642179 2.510250 0.000000 5.913221 7.228736 8.341012 7.787742 8.782335 8.244459 9.241718 4.685425 3.471233 4.901919 2.180160 3.917961 4.092967 2.704024 1.096828 3.441691 2.166814 7.311540 8.204689 9.261432 8.749072 7.204013 8.098117 9.706138 8.861511 7.450782 10.117508 9.701552 6.059250 5.971905 5.014217 4.801420 2.467763 0.000000 4.972879 6.401839 6.789162 7.177475 6.618742 7.004448 7.376697 4.703972 3.462803 5.922972 3.949346 2.166016 6.195444 5.383101 3.432955 1.095543 2.191045 6.983449 6.501145 7.892176 8.241995 7.159167 5.602160 7.244095 7.829578 6.060372 8.425376 7.498571 4.348942 6.865395 2.454531 7.274495 5.993489 4.345389 0.000000 6.246575 7.713432 8.470864 8.396657 8.574578 8.487921 9.193357 5.421968 3.962127 6.208365 3.463398 3.438613 5.888407 4.661749 2.167420 2.190742 1.095629 8.062492 8.217685 9.524487 9.457218 8.069571 7.665650 9.344471 9.201184 7.542683 10.201494 9.435869 5.973071 7.289687 4.322156 6.816362 4.812001 2.503337 2.520224 0.000000 C16H19N 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 0 206.1778999999999 AuxInfo=1/0/N:7,5,6,17,16,13,15,14,3,4,12,10,11,2,9,8,1/E:(2,3)(9,10)/CRV:4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,15.3,16.3/rA:36NCCCCCCC3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:s1;s2;s2;s3;s4;s5s6;s1;s8;s8;s9;s9;s10;s11s13;s11;s12;s15s16;s2;s3;s3;s4;s4;s5;s5;s6;s6;s7;s7;s1;s10;s12;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.9009214 0.2725083 0.2300303 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= 9870 NPrTT= 49869 LenC2= 9016 LenP2D= 29707. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 208 RedAO= T EigKep= 3.96D-04 NBF= 208 NBsUse= 208 1.00D-06 EigRej= -1.00D+00 NBFU= 208 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= 205 205 205 205 205 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 0 1 -674.631856971375 -674.746782000331 -0.114925028955 -674.912796947975 -0.166014947645 -674.912816444564 -0.000019496589 -674.941169329637 -0.028352885072 -674.942172699546 -0.001003369909 -674.942218040585 -0.000045341040 -674.942239263703 -0.000021223118 -674.942586293226 -0.000347029522 -674.942585930217 0.000000363009 -674.942586970388 -0.000001040171 -674.942587066527 -0.000000096139 -674.942587095711 -0.000000029184 -674.942587096726 -0.000000001015 -674.942587096812 -0.000000000085 -674.942587096902 -0.000000000091 -674.942587097 16 6.712785506820e+02 -3.859710920220e+03 1.366725355832e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=240953534. IVT= 151258 IEndB= 151258 NGot= 939524096 MDV= 703135123 LenX= 703135123 LenY= 703091418 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= 21736 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= 36. Will process 37 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111 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= 939523524 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=240812820. 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= 21736 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 111 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 108 vectors produced by pass 0 Test12= 8.97D-15 1.00D-09 XBig12= 5.39D+02 1.52D+01. AX will form 108 AO Fock derivatives at one time. 108 vectors produced by pass 1 Test12= 8.97D-15 1.00D-09 XBig12= 1.40D+02 2.36D+00. 108 vectors produced by pass 2 Test12= 8.97D-15 1.00D-09 XBig12= 5.39D-01 8.34D-02. 108 vectors produced by pass 3 Test12= 8.97D-15 1.00D-09 XBig12= 1.28D-04 1.06D-03. 58 vectors produced by pass 4 Test12= 8.97D-15 1.00D-09 XBig12= 2.49D-08 1.31D-05. 3 vectors produced by pass 5 Test12= 8.97D-15 1.00D-09 XBig12= 2.77D-12 1.71D-07. 2 vectors produced by pass 6 Test12= 8.97D-15 1.00D-09 XBig12= 1.54D-15 2.64D-09. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 495 with 111 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 182.33 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 239.472 -8.953 202.070 12.804 -0.057 105.438 431.281 -18.965 436.025 40.916 -0.114 166.173 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2549.200S 2017-06-16T23:27:54.000+02:00 -14.00575 -9.94142 -9.93799 -9.90779 -9.90537 -9.90321 -9.90060 -9.89963 -9.89947 -9.89835 -9.89640 -9.89340 -9.89319 -9.89057 -9.88975 -9.88591 -9.88201 -0.85437 -0.77915 -0.74834 -0.72858 -0.68991 -0.67283 -0.66436 -0.65943 -0.63202 -0.56434 -0.55714 -0.55124 -0.54077 -0.52637 -0.49177 -0.48029 -0.44924 -0.43675 -0.43273 -0.41837 -0.41089 -0.39711 -0.38868 -0.37890 -0.37570 -0.36008 -0.35256 -0.34763 -0.33743 -0.33505 -0.33261 -0.33080 -0.31960 -0.30680 -0.29107 -0.28857 -0.28610 -0.27782 -0.27005 -0.26391 -0.25634 -0.21182 -0.21116 -0.15335 -0.05387 -0.03069 0.01201 0.04589 0.06004 0.08821 0.09276 0.10014 0.10556 0.11532 0.11703 0.12180 0.13002 0.13270 0.13886 0.14307 0.14638 0.15623 0.15916 0.17159 0.17498 0.17866 0.17978 0.18494 0.19219 0.19805 0.20297 0.20712 0.21223 0.21998 0.22169 0.22668 0.23512 0.23817 0.25104 0.25994 0.26122 0.27718 0.27991 0.28643 0.29869 0.30598 0.30898 0.31316 0.31910 0.32274 0.32984 0.33931 0.34666 0.34854 0.35445 0.36537 0.36765 0.37486 0.38053 0.39132 0.39433 0.39640 0.40607 0.40844 0.41046 0.41525 0.42599 0.42825 0.43284 0.43735 0.44403 0.44829 0.46176 0.47417 0.48428 0.49019 0.50025 0.50929 0.51856 0.52805 0.53517 0.58139 0.58828 0.59374 0.60199 0.63307 0.64350 0.65552 0.66217 0.69485 0.70860 0.72044 0.72393 0.73621 0.77459 0.79551 0.82651 0.85145 0.87032 0.90140 0.91532 0.93746 0.95069 0.96839 0.97041 0.97913 1.00020 1.00679 1.01670 1.03757 1.04781 1.06269 1.09263 1.10637 1.10886 1.12873 1.13821 1.14450 1.16971 1.17404 1.19474 1.21444 1.22127 1.22900 1.26587 1.27781 1.30235 1.34429 1.37167 1.40213 1.43928 1.45745 1.48590 1.60554 22.27782 22.46730 22.49175 22.57934 22.58693 22.59420 22.60495 22.63619 22.65756 22.66714 22.67291 22.68582 22.70290 22.73550 22.77871 22.80435 31.57325 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 N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.460785 -0.045179 -0.480273 -0.420969 -0.413187 -0.394240 -0.377069 0.324579 0.165909 -0.413659 0.437421 -0.350275 -0.246601 -0.489057 -0.430624 -0.279516 -0.245737 0.223248 0.219362 0.203364 0.191152 0.228862 0.186686 0.208685 0.200755 0.209417 0.191966 0.202792 0.294604 0.233149 0.190128 0.217372 0.233857 0.235245 0.223405 0.225211 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 N C C C C C C C C C C C C C C C C -0.166181 0.178069 -0.057546 -0.000955 -0.017815 0.015932 0.017688 0.324579 0.165909 -0.180509 0.437421 -0.160147 -0.029230 -0.255200 -0.195379 -0.056111 -0.020526 0.00000 -1.01927758e+00 -3.13343708e-01 -1.05235926e-01 2.39471693e+02 -8.95286057e+00 2.02070453e+02 1.28043670e+01 -5.68612036e-02 1.05437605e+02 -3.3315 -0.0007 -0.0004 0.0003 5.6830 12.9881 38.3169 47.8513 77.6763 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 38.0551 47.4919 77.6642 97.8887 163.2649 180.4768 202.7323 223.5309 262.2686 304.8348 315.7270 360.9015 392.3530 424.0099 442.2749 449.8606 474.3085 482.1533 499.6440 523.4345 571.5513 613.4499 644.1972 650.9802 730.2613 737.1213 772.8866 776.3190 779.8771 793.7358 799.5532 829.4441 847.7193 860.8562 871.0254 873.4867 878.7341 928.8040 942.3390 963.7137 980.3406 983.8848 1008.3106 1033.4659 1042.2103 1058.3963 1065.9187 1091.8857 1099.1460 1120.3935 1148.6551 1152.1553 1167.8633 1178.9950 1194.5558 1233.1502 1245.6647 1261.9732 1263.0218 1274.8710 1293.0741 1311.8099 1329.4181 1333.9784 1339.3329 1353.0319 1358.4697 1360.9081 1368.0928 1411.6156 1415.5959 1447.5676 1451.8690 1457.4317 1463.3584 1470.0292 1474.0418 1478.3965 1490.2596 1539.6638 1591.8020 1596.2572 1629.5093 2956.4790 2957.0241 2966.0232 2974.7965 2979.0519 2987.2782 3026.7508 3030.2976 3039.0722 3042.1482 3048.8139 3108.0429 3120.1138 3123.1942 3138.2831 3146.0027 3159.1476 3165.7110 3587.5567 4.0885 3.5063 3.4559 3.2775 3.4091 3.8321 2.4651 3.3346 3.3283 1.8794 1.4715 2.2399 2.4319 2.5717 3.8277 3.5271 3.1640 2.0741 5.1684 5.8011 3.0968 4.2368 3.2179 2.8890 1.3288 4.7290 1.5784 1.5616 4.7096 1.9955 3.1030 2.0233 1.5814 2.2528 2.3605 2.1416 1.9612 1.3995 1.3841 1.3288 2.8538 1.3513 2.6869 2.4546 1.6469 1.7154 1.9686 1.7676 1.9281 1.0899 1.5041 1.7476 1.8493 1.1010 1.3654 1.8320 1.3447 1.3675 1.4043 1.3485 1.5343 1.6354 1.7176 1.3221 1.4418 1.6667 1.4272 1.3982 1.7741 4.2184 3.0355 2.4541 2.0547 1.1017 1.0938 1.0942 1.1040 1.4376 1.5399 2.9128 5.2689 6.9717 6.0408 1.0770 1.0685 1.0617 1.0645 1.0626 1.0664 1.0938 1.0978 1.0992 1.1014 1.1020 1.0858 1.0871 1.0856 1.0939 1.0939 1.1003 1.0954 1.0756 0.0035 0.0047 0.0123 0.0185 0.0535 0.0735 0.0597 0.0982 0.1349 0.1029 0.0864 0.1719 0.2206 0.2724 0.4411 0.4206 0.4194 0.2841 0.7602 0.9365 0.5960 0.9394 0.7868 0.7213 0.4175 1.5139 0.5555 0.5545 1.6877 0.7407 1.1688 0.8201 0.6696 0.9836 1.0551 0.9627 0.8922 0.7113 0.7241 0.7271 1.6160 0.7707 1.6095 1.5446 1.0540 1.1322 1.3178 1.2416 1.3724 0.8061 1.1693 1.3668 1.4861 0.9017 1.1480 1.6413 1.2294 1.2832 1.3198 1.2914 1.5115 1.6581 1.7885 1.3862 1.5238 1.7977 1.5518 1.5257 1.9564 4.9526 3.5839 3.0298 2.5518 1.3788 1.3800 1.3931 1.4133 1.8513 2.0149 4.0683 7.8659 10.4663 9.4506 5.5466 5.5045 5.5031 5.5501 5.5560 5.6070 5.9038 5.9392 5.9812 6.0059 6.0351 6.1800 6.2355 6.2389 6.3478 6.3791 6.4700 6.4681 8.1561 0.3198 0.0555 0.9517 2.0648 0.1647 0.6646 0.2806 0.9441 3.4243 10.2560 40.9651 3.1787 3.1546 24.5104 4.2722 2.5304 0.0247 0.1748 0.5937 1.0881 15.7998 2.1950 7.0314 7.9257 2.0085 1.8813 106.7285 12.5903 2.1480 25.7315 8.7450 3.6470 8.6264 8.2614 2.4229 1.2674 7.6188 9.0844 2.3879 1.4435 1.5396 1.2666 10.0520 11.0982 1.5807 0.3145 1.0287 3.0460 14.8903 3.5100 11.1176 2.8322 16.8717 0.3806 3.2513 0.6446 4.9521 0.6370 3.8061 18.4252 2.6711 31.6224 31.3468 1.0730 0.4174 2.8524 2.3121 7.8369 14.2821 3.3065 106.1044 35.7263 0.7333 18.7081 4.5661 14.2057 8.8284 106.0636 36.8663 189.6713 85.5936 116.4551 9.4292 10.2306 27.5531 43.6988 29.6557 29.3147 63.1464 85.1236 59.2208 19.7791 19.0770 129.3443 14.6957 1.8374 5.0445 31.7013 41.7270 41.9325 20.4973 24.4086 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.01 -0.03 0.20 0.03 -0.02 0.07 0.08 -0.01 -0.02 -0.09 0.00 0.01 -0.04 0.01 -0.05 -0.21 0.02 -0.03 -0.16 0.04 -0.12 0.02 -0.02 0.12 0.03 -0.01 0.06 0.01 -0.02 0.10 0.05 0.00 -0.07 0.04 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