Gaussian 09 GINC-KIMIK2034 CBGUSER 000294543 EM64L-G09RevD.01 17-Apr-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInputnosymm 244.2059999999999 0 1 AuxInfo=1/0/N:7,8,19,20,15,16,17,18,11,12,13,14,3,9,10,5,6,4,1,2/E:(1,2)(5,6)(7,8)(9,10)(11,12)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,20.2/rA:38NN2CC3C3C3CCC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s1s2s3;s1;s2s5;s3;s3;s5;s6;s9;s9;s10;s10;s11;s12;s13;s14;s15s16;s17s18;s3;s1;s7;s7;s7;s8;s8;s8;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-5579.inp" -scrdir="/scratch/" chk=000294543.chk nprocshared=4 mem=7GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000294543 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 14 14 12 12 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 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 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 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 1 1 1 2 2 3 3 3 3 5 5 6 7 7 7 8 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 20 4 5 22 4 6 4 7 8 21 6 9 10 23 24 25 26 27 28 11 12 13 14 15 29 16 30 17 31 18 32 19 33 19 34 20 35 20 36 37 38 1.4124 1.4093 1.0023 1.3529 1.4014 1.5044 1.5324 1.5325 1.1209 1.4016 1.4618 1.4672 1.1006 1.0945 1.0951 1.0951 1.0945 1.1006 1.4037 1.4037 1.4033 1.4033 1.3973 1.089 1.3973 1.089 1.3974 1.0883 1.3974 1.0883 1.3988 1.0889 1.3988 1.0889 1.3988 1.0883 1.3988 1.0883 1.0886 1.0877 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 4 4 5 4 4 4 4 7 7 8 1 1 2 1 1 6 2 2 5 3 3 3 23 23 24 3 3 3 26 26 27 5 5 11 6 6 13 9 9 15 9 9 16 10 10 17 10 10 18 11 11 19 12 12 19 13 13 20 14 14 20 15 15 16 17 17 18 1 1 1 2 3 3 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 5 22 22 6 7 8 21 8 21 21 2 3 3 6 9 9 5 10 10 23 24 25 24 25 25 26 27 28 27 28 28 11 12 12 13 14 14 15 29 29 16 30 30 17 31 31 18 32 32 19 33 33 19 34 34 20 35 35 20 36 36 16 37 37 18 38 38 107.115 127.8919 124.993 106.7581 109.4917 109.4897 109.225 111.5196 108.5374 108.5383 110.192 122.5874 127.2206 105.9805 122.5633 131.4562 109.9543 121.9988 128.0468 110.9258 111.4251 111.7012 107.522 106.9156 108.1386 111.7018 111.4246 110.9256 108.1382 106.9169 107.5212 119.9487 119.9487 120.1009 119.9307 119.9305 120.1383 119.7597 119.877 120.3608 119.7597 119.877 120.3608 119.7319 119.8442 120.4221 119.732 119.8441 120.4222 120.1724 119.853 119.9741 120.1725 119.853 119.9741 120.2009 119.8292 119.9696 120.2008 119.8293 119.9696 120.0341 119.9827 119.9827 119.9944 120.0027 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 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 5 5 22 22 4 4 22 22 6 6 4 4 7 7 8 8 21 21 4 4 4 8 8 8 21 21 21 4 4 4 7 7 7 21 21 21 1 1 9 9 1 1 6 6 2 2 5 5 5 5 12 12 5 5 11 11 6 6 14 14 6 6 13 13 9 9 29 29 9 9 30 30 10 10 31 31 10 10 32 32 11 11 33 33 12 12 34 34 13 13 35 35 14 14 36 36 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 5 5 5 5 5 5 5 6 6 6 6 9 9 9 9 9 9 9 9 10 10 10 10 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 17 17 17 17 18 18 18 18 4 4 4 4 5 5 5 5 4 4 6 6 4 4 4 4 4 4 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 6 6 6 6 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 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 2 3 2 3 6 9 6 9 1 3 5 10 1 2 1 2 1 2 23 24 25 23 24 25 23 24 25 26 27 28 26 27 28 26 27 28 2 10 2 10 11 12 11 12 13 14 13 14 15 29 15 29 16 30 16 30 17 31 17 31 18 32 18 32 19 33 19 33 19 34 19 34 20 35 20 35 20 36 20 36 16 37 16 37 15 37 15 37 18 38 18 38 17 38 17 38 -0.0003 -179.9978 179.9993 0.0018 0.0002 -179.9998 -179.9994 0.0006 0.0003 179.9977 -0.0002 179.9998 -118.7617 61.2412 118.6878 -61.3092 -0.0369 179.9661 -59.3169 -179.0728 59.8561 62.0159 -57.7401 -178.8112 -178.4671 61.777 -59.2941 -59.8542 179.0751 59.3206 178.8119 57.7412 -62.0132 59.2953 -61.7754 178.4702 0.0 -179.9999 179.9999 0.0 -90.2387 90.2356 89.7614 -89.7643 -90.1354 90.1107 89.8645 -89.8894 -179.7643 -0.3424 -0.2394 179.1825 179.7643 0.3423 0.2394 -179.1826 -179.3466 1.1233 0.4067 -179.1233 179.3466 -1.1236 -0.4068 179.123 0.0352 179.7827 -179.3838 0.3637 -0.0353 -179.7828 179.3839 -0.3636 -0.1034 -179.9461 179.4239 -0.4188 0.1034 179.9461 -179.4236 0.419 0.1686 179.8932 -179.5786 0.1461 -0.1685 -179.8932 179.5786 -0.1461 -0.1991 179.99 179.6434 -0.1675 0.1991 -179.99 -179.6433 0.1675 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 213 228 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 38 38 38 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= 12246 NPrTT= 62602 LenC2= 10925 LenP2D= 35019. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 236 RedAO= T EigKep= 8.29D-04 NBF= 236 NBsUse= 236 1.00D-06 EigRej= -1.00D+00 NBFU= 236 Using GEDIIS/GDIIS optimizer. local minimum Step number 4 out of a maximum of 213 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00337 0.00340 0.00707 0.01200 0.01216 0.01271 0.01547 0.01590 0.01605 0.01786 0.01799 0.01810 0.01935 0.02042 0.02057 0.02078 0.02080 0.02086 0.02087 0.02103 0.02103 0.02104 0.02105 0.02110 0.02111 0.02115 0.02115 0.02116 0.02116 0.04010 0.04732 0.05498 0.05504 0.05665 0.05665 0.05794 0.13283 0.15999 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16003 0.16027 0.16116 0.16657 0.17833 0.20693 0.22000 0.22000 0.22000 0.22018 0.23483 0.23625 0.24919 0.24999 0.25000 0.25001 0.25055 0.28395 0.29198 0.29487 0.31485 0.32801 0.33617 0.33721 0.34230 0.34242 0.34293 0.34303 0.34928 0.34942 0.34951 0.34952 0.34981 0.35013 0.35013 0.35039 0.35065 0.35089 0.36163 0.37048 0.38885 0.41520 0.41584 0.41631 0.41635 0.41666 0.43834 0.45217 0.45260 0.45465 0.45587 0.45874 0.45878 0.46044 0.46582 0.48040 0.50334 0.52589 RFO step: Lambda=-1.35113073D-06. 1 2 0.00151046 0.00000096 0.00000034 0.00000006 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 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 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 2.63187 2.65997 1.92796 2.54851 2.66809 2.85594 2.93228 2.93230 2.09863 2.65320 2.80740 2.81296 2.08617 2.08947 2.08850 2.08850 2.08947 2.08617 2.68431 2.68431 2.68085 2.68085 2.66940 2.07124 2.66940 2.07124 2.66974 2.07132 2.66974 2.07132 2.67249 2.07066 2.67249 2.07066 2.67228 2.07126 2.67228 2.07126 2.07088 2.07136 1.89672 2.20753 2.17893 1.85696 1.93023 1.93024 1.88283 1.93363 1.89270 1.89269 1.92176 2.15894 2.20249 1.82776 2.13943 2.31599 1.92158 2.13206 2.22955 1.91448 1.92909 1.94509 1.89754 1.88451 1.89192 1.94510 1.92909 1.91450 1.89191 1.88452 1.89753 2.10558 2.10558 2.07202 2.10580 2.10579 2.07157 2.10616 2.07951 2.09746 2.10616 2.07951 2.09746 2.10715 2.07945 2.09657 2.10715 2.07945 2.09657 2.09636 2.09155 2.09526 2.09636 2.09155 2.09526 2.09634 2.09178 2.09507 2.09634 2.09178 2.09507 2.08932 2.09693 2.09693 2.08780 2.09769 2.09769 0.00003 -3.14151 -3.14157 0.00007 -0.00001 3.14159 3.14159 0.00001 -0.00003 3.14151 0.00002 -3.14158 -2.06784 1.07381 2.06668 -1.07485 -0.00057 3.14108 -1.03571 -3.12784 1.05030 1.11098 -0.98115 -3.08619 -3.09696 1.09410 -1.01094 -1.05007 3.12808 1.03597 3.08643 0.98139 -1.11071 1.01117 -1.09386 3.09722 0.00000 -3.14159 3.14158 -0.00001 -1.57276 1.57257 1.56885 -1.56900 -1.56776 1.56647 1.57383 -1.57513 -3.13989 -0.00998 -0.00197 3.12794 3.13990 0.00997 0.00198 -3.12795 3.13930 0.00350 0.00493 -3.13087 -3.13930 -0.00350 -0.00492 3.13087 -0.00019 3.13574 -3.12999 0.00595 0.00019 -3.13575 3.13000 -0.00594 -0.00116 3.14119 3.13458 -0.00626 0.00116 -3.14118 -3.13458 0.00627 0.00239 3.13828 -3.13354 0.00236 -0.00238 -3.13828 3.13354 -0.00236 -0.00269 3.14133 3.13815 -0.00102 0.00269 -3.14133 -3.13815 0.00101 -0.00001 0.00021 -0.00009 0.00030 -0.00002 -0.00009 0.00015 0.00015 0.00001 -0.00005 0.00000 -0.00005 -0.00006 -0.00007 -0.00006 -0.00006 -0.00007 -0.00006 0.00008 0.00008 0.00006 0.00006 0.00016 -0.00007 0.00016 -0.00006 0.00016 -0.00007 0.00016 -0.00007 0.00001 -0.00001 0.00001 -0.00001 0.00001 -0.00002 0.00001 -0.00002 -0.00003 -0.00003 0.00002 0.00004 -0.00006 -0.00012 -0.00002 -0.00002 0.00003 0.00003 -0.00001 -0.00001 0.00001 0.00027 -0.00027 -0.00008 -0.00016 0.00024 0.00018 -0.00012 -0.00006 -0.00003 0.00003 0.00004 0.00000 -0.00001 -0.00003 0.00004 0.00003 -0.00003 -0.00003 -0.00001 0.00000 0.00002 0.00002 -0.00004 0.00001 0.00001 -0.00002 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00002 0.00001 -0.00003 0.00002 0.00001 -0.00003 0.00003 0.00000 -0.00003 0.00003 0.00000 -0.00003 -0.00001 0.00001 0.00001 -0.00002 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 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00002 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00002 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 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 -0.00038 0.00013 -0.00007 0.00019 0.00016 0.00000 0.00019 0.00019 0.00002 -0.00006 -0.00011 -0.00016 -0.00008 -0.00004 -0.00003 -0.00003 -0.00004 -0.00008 -0.00007 -0.00007 -0.00007 -0.00007 -0.00011 0.00001 -0.00011 0.00001 -0.00012 0.00002 -0.00012 0.00002 -0.00007 -0.00002 -0.00007 -0.00002 -0.00006 -0.00003 -0.00006 -0.00003 -0.00002 -0.00002 0.00030 -0.00024 -0.00006 -0.00002 0.00005 0.00005 0.00017 -0.00024 -0.00001 -0.00001 -0.00013 0.00036 -0.00023 -0.00019 -0.00014 0.00033 0.00004 0.00002 -0.00006 -0.00021 -0.00023 -0.00006 0.00026 0.00020 0.00006 -0.00006 -0.00023 -0.00021 0.00006 0.00020 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0.00000 -0.00001 0.00001 0.00002 0.00000 0.00001 0.00003 0.00005 0.00003 0.00005 -0.00003 -0.00005 -0.00003 -0.00005 -0.00008 0.00044 -0.00012 0.00065 -0.00012 -0.00038 0.00055 0.00055 0.00001 -0.00006 0.00000 -0.00010 -0.00018 -0.00020 -0.00017 -0.00017 -0.00020 -0.00018 0.00021 0.00021 0.00016 0.00016 0.00035 -0.00017 0.00035 -0.00017 0.00036 -0.00019 0.00036 -0.00019 0.00006 -0.00002 0.00006 -0.00002 0.00003 -0.00003 0.00004 -0.00003 -0.00007 -0.00008 -0.00010 0.00039 -0.00028 -0.00063 -0.00027 -0.00027 0.00030 0.00005 0.00011 0.00011 0.00035 0.00099 -0.00133 -0.00028 -0.00078 0.00106 0.00066 -0.00047 -0.00019 -0.00027 0.00019 0.00023 0.00002 -0.00015 -0.00003 0.00023 0.00019 -0.00027 -0.00003 -0.00015 0.00002 0.00008 0.00008 -0.00015 0.00005 0.00004 -0.00008 0.00004 -0.00005 0.00000 0.00004 -0.00005 0.00000 -0.00001 -0.00001 0.00002 -0.00001 -0.00002 0.00003 0.00007 0.00007 -0.00015 0.00007 0.00007 -0.00014 0.00012 0.00002 -0.00014 0.00012 0.00002 -0.00014 -0.00008 0.00004 0.00004 -0.00013 0.00007 0.00007 -0.00009 -0.00005 -0.00004 0.00000 0.00006 0.00004 0.00001 0.00000 0.00008 0.00004 -0.00005 -0.00004 -0.00016 -0.00012 0.00015 0.00020 -0.00001 0.00004 -0.00081 -0.00078 -0.00102 -0.00131 -0.00128 -0.00152 -0.00108 -0.00105 -0.00129 0.00102 0.00078 0.00081 0.00152 0.00128 0.00131 0.00129 0.00105 0.00108 -0.00001 -0.00002 0.00001 0.00000 0.00006 -0.00016 0.00005 -0.00018 -0.00060 -0.00017 -0.00059 -0.00016 -0.00028 -0.00039 -0.00005 -0.00017 0.00028 0.00038 0.00006 0.00016 0.00046 0.00049 0.00004 0.00007 -0.00046 -0.00049 -0.00004 -0.00007 -0.00012 0.00005 0.00000 0.00016 0.00011 -0.00005 0.00000 -0.00016 -0.00007 0.00004 -0.00010 0.00001 0.00007 -0.00004 0.00011 0.00000 0.00028 0.00027 0.00012 0.00011 -0.00028 -0.00027 -0.00012 -0.00011 0.00011 0.00017 0.00000 0.00006 -0.00010 -0.00017 0.00000 -0.00006 -0.00047 0.00057 -0.00019 0.00083 0.00004 -0.00038 0.00074 0.00074 0.00003 -0.00011 -0.00012 -0.00026 -0.00025 -0.00024 -0.00021 -0.00021 -0.00024 -0.00025 0.00014 0.00014 0.00010 0.00010 0.00025 -0.00016 0.00025 -0.00016 0.00024 -0.00017 0.00024 -0.00017 -0.00001 -0.00004 -0.00001 -0.00004 -0.00002 -0.00006 -0.00002 -0.00006 -0.00008 -0.00010 0.00019 0.00015 -0.00034 -0.00064 -0.00022 -0.00022 0.00047 -0.00019 0.00010 0.00010 0.00022 0.00134 -0.00156 -0.00047 -0.00092 0.00139 0.00070 -0.00045 -0.00025 -0.00048 -0.00004 0.00017 0.00027 0.00006 0.00003 0.00017 -0.00005 -0.00048 0.00003 0.00006 0.00028 0.00011 0.00011 -0.00021 0.00008 0.00007 -0.00015 0.00008 -0.00008 -0.00001 0.00008 -0.00008 -0.00001 0.00003 -0.00001 -0.00002 0.00003 -0.00002 -0.00001 0.00008 0.00002 -0.00011 0.00008 0.00002 -0.00011 0.00013 -0.00004 -0.00009 0.00013 -0.00004 -0.00009 -0.00012 0.00006 0.00006 -0.00017 0.00008 0.00008 -0.00009 -0.00004 -0.00004 0.00000 0.00005 0.00004 0.00001 0.00000 0.00008 0.00004 -0.00004 -0.00003 -0.00028 -0.00023 0.00027 0.00032 0.00000 0.00004 -0.00028 -0.00029 -0.00041 -0.00085 -0.00086 -0.00098 -0.00078 -0.00079 -0.00091 0.00042 0.00030 0.00029 0.00099 0.00087 0.00086 0.00092 0.00080 0.00079 -0.00001 -0.00002 0.00001 0.00000 0.00014 -0.00024 0.00012 -0.00026 -0.00056 -0.00027 -0.00054 -0.00025 -0.00049 -0.00056 -0.00012 -0.00020 0.00049 0.00056 0.00013 0.00019 0.00027 0.00026 -0.00001 -0.00002 -0.00027 -0.00027 0.00002 0.00002 -0.00008 0.00008 0.00000 0.00015 0.00007 -0.00008 0.00000 -0.00015 -0.00006 0.00005 -0.00006 0.00006 0.00006 -0.00005 0.00006 -0.00005 0.00028 0.00025 0.00012 0.00010 -0.00027 -0.00025 -0.00012 -0.00010 0.00014 0.00022 0.00002 0.00011 -0.00014 -0.00022 -0.00003 -0.00011 2.63140 2.66054 1.92777 2.54934 2.66813 2.85556 2.93303 2.93305 2.09866 2.65309 2.80729 2.81270 2.08591 2.08922 2.08829 2.08830 2.08922 2.08592 2.68445 2.68445 2.68095 2.68095 2.66965 2.07108 2.66965 2.07108 2.66998 2.07116 2.66998 2.07115 2.67248 2.07062 2.67248 2.07062 2.67225 2.07119 2.67226 2.07119 2.07080 2.07127 1.89692 2.20768 2.17859 1.85631 1.93001 1.93002 1.88329 1.93344 1.89280 1.89278 1.92198 2.16028 2.20093 1.82729 2.13851 2.31738 1.92228 2.13160 2.22930 1.91400 1.92905 1.94527 1.89782 1.88457 1.89194 1.94527 1.92904 1.91402 1.89193 1.88458 1.89780 2.10569 2.10569 2.07180 2.10588 2.10586 2.07143 2.10624 2.07943 2.09746 2.10624 2.07943 2.09745 2.10718 2.07944 2.09655 2.10718 2.07943 2.09656 2.09644 2.09157 2.09516 2.09644 2.09157 2.09516 2.09647 2.09174 2.09498 2.09647 2.09174 2.09498 2.08920 2.09699 2.09699 2.08763 2.09778 2.09778 -0.00006 -3.14156 3.14157 0.00007 0.00004 -3.14155 -3.14159 0.00000 0.00005 3.14155 -0.00003 3.14157 -2.06812 1.07358 2.06695 -1.07453 -0.00058 3.14113 -1.03600 -3.12813 1.04989 1.11012 -0.98201 -3.08717 -3.09775 1.09331 -1.01186 -1.04965 3.12838 1.03627 3.08742 0.98226 -1.10986 1.01209 -1.09306 3.09801 -0.00001 3.14158 3.14159 -0.00001 -1.57263 1.57233 1.56896 -1.56926 -1.56831 1.56621 1.57329 -1.57538 -3.14038 -0.01054 -0.00210 3.12775 3.14039 0.01053 0.00210 -3.12776 3.13957 0.00376 0.00491 -3.13089 -3.13956 -0.00377 -0.00491 3.13088 -0.00027 3.13582 -3.12999 0.00610 0.00026 -3.13583 3.13000 -0.00609 -0.00123 3.14124 3.13452 -0.00620 0.00122 -3.14123 -3.13452 0.00622 0.00266 3.13853 -3.13342 0.00245 -0.00265 -3.13853 3.13342 -0.00245 -0.00255 3.14155 3.13817 -0.00091 0.00255 -3.14155 -3.13818 0.00090 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000296 0.000059 0.006913 0.001510 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.424212e-06 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 1 1 1 2 2 3 3 3 3 5 5 6 7 7 7 8 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 20 4 5 22 4 6 4 7 8 21 6 9 10 23 24 25 26 27 28 11 12 13 14 15 29 16 30 17 31 18 32 19 33 19 34 20 35 20 36 37 38 1.3927 1.4076 1.0202 1.3486 1.4119 1.5113 1.5517 1.5517 1.1105 1.404 1.4856 1.4886 1.104 1.1057 1.1052 1.1052 1.1057 1.104 1.4205 1.4205 1.4186 1.4186 1.4126 1.0961 1.4126 1.0961 1.4128 1.0961 1.4128 1.0961 1.4142 1.0957 1.4142 1.0957 1.4141 1.0961 1.4141 1.0961 1.0959 1.0961 -DE/DX = 0.0|-DE/DX = 0.0002|-DE/DX = -0.0001|-DE/DX = 0.0003|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0002|-DE/DX = -0.0001|-DE/DX = 0.0002|-DE/DX = -0.0001|-DE/DX = 0.0002|-DE/DX = -0.0001|-DE/DX = 0.0002|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 4 4 5 4 4 4 4 7 7 8 1 1 2 1 1 6 2 2 5 3 3 3 23 23 24 3 3 3 26 26 27 5 5 11 6 6 13 9 9 15 9 9 16 10 10 17 10 10 18 11 11 19 12 12 19 13 13 20 14 14 20 15 15 16 17 17 18 1 1 1 2 3 3 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 5 22 22 6 7 8 21 8 21 21 2 3 3 6 9 9 5 10 10 23 24 25 24 25 25 26 27 28 27 28 28 11 12 12 13 14 14 15 29 29 16 30 30 17 31 31 18 32 32 19 33 33 19 34 34 20 35 35 20 36 36 16 37 37 18 38 38 108.6743 126.4823 124.8435 106.3957 110.5941 110.5944 107.8781 110.7889 108.4438 108.4429 110.1086 123.6981 126.1933 104.723 122.5803 132.6967 110.0985 122.1579 127.7436 109.6919 110.5287 111.4457 108.7213 107.9745 108.3988 111.446 110.5285 109.6925 108.3982 107.9753 108.7203 120.6409 120.641 118.7178 120.6534 120.6529 118.6923 120.6739 119.147 120.1757 120.6739 119.1471 120.1756 120.7308 119.1438 120.1245 120.7309 119.1436 120.1247 120.1126 119.8369 120.0498 120.1125 119.8369 120.0498 120.1115 119.85 120.0384 120.1115 119.85 120.0384 119.7091 120.1451 120.145 119.6222 120.1888 120.1888 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0003|-DE/DX = -0.0003|-DE/DX = -0.0001|-DE/DX = -0.0002|-DE/DX = 0.0002|-DE/DX = 0.0002|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 5 5 22 22 4 4 22 22 6 6 4 4 7 7 8 8 21 21 4 4 4 8 8 8 21 21 21 4 4 4 7 7 7 21 21 21 1 1 9 9 1 1 6 6 2 2 5 5 5 5 12 12 5 5 11 11 6 6 14 14 6 6 13 13 9 9 29 29 9 9 30 30 10 10 31 31 10 10 32 32 11 11 33 33 12 12 34 34 13 13 35 35 14 14 36 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 5 5 5 5 5 5 5 6 6 6 6 9 9 9 9 9 9 9 9 10 10 10 10 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 17 17 17 17 18 18 18 4 4 4 4 5 5 5 5 4 4 6 6 4 4 4 4 4 4 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 6 6 6 6 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 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 2 3 2 3 6 9 6 9 1 3 5 10 1 2 1 2 1 2 23 24 25 23 24 25 23 24 25 26 27 28 26 27 28 26 27 28 2 10 2 10 11 12 11 12 13 14 13 14 15 29 15 29 16 30 16 30 17 31 17 31 18 32 18 32 19 33 19 33 19 34 19 34 20 35 20 35 20 36 20 36 16 37 16 37 15 37 15 37 18 38 18 38 17 38 17 0.0015 -179.9954 180.0011 0.0041 -0.0008 -180.0001 -180.0004 0.0003 -0.0015 179.9953 0.001 180.0007 -118.4786 61.525 118.4122 -61.5842 -0.0327 179.9708 -59.3421 -179.2119 60.178 63.6542 -56.2156 -176.8257 -177.4429 62.6873 -57.9228 -60.1647 179.2258 59.3569 176.8392 56.2297 -63.6392 57.9358 -62.6737 177.4574 -0.0001 180.0002 179.9991 -0.0006 -90.1127 90.1018 89.8883 -89.8973 -89.8258 89.7523 90.1738 -90.2481 -179.9027 -0.5717 -0.1131 179.218 179.9029 0.5712 0.1133 -179.2185 179.8686 0.2005 0.2823 -179.3858 -179.8684 -0.2007 -0.2821 179.3855 -0.0111 179.6648 -179.3353 0.3407 0.0107 -179.665 179.3356 -0.3402 -0.0666 179.9767 179.5982 -0.3585 0.0662 -179.9766 -179.5982 0.359 0.1367 179.8103 -179.5386 0.135 -0.1365 -179.8101 179.5386 -0.135 -0.1539 179.9851 179.8027 -0.0582 0.1542 -179.9849 -179.8029 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 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7.787260 6.498766 4.332370 5.383509 8.698528 8.697852 2.846758 5.621661 2.449474 2.449473 6.000463 6.001892 1.414222 1.414222 6.683582 6.684871 0.000000 6.515328 5.224106 7.775521 6.437758 5.313910 4.335694 8.124360 8.124824 5.581645 2.847142 5.970273 5.970461 2.449519 2.449519 6.673618 6.673790 1.414108 1.414109 7.002582 0.000000 2.626908 3.408425 1.110549 2.132565 3.993092 4.312313 2.175193 2.175191 5.134941 5.761504 5.878345 5.878052 6.585456 6.585337 7.114670 7.114426 7.960191 7.960091 7.661320 8.570079 0.000000 1.020233 3.228105 2.871281 2.161071 2.159436 3.213868 3.962588 3.961848 2.821085 4.640283 3.559193 3.559058 5.483906 5.484222 4.685214 4.685109 6.845395 6.845648 5.159751 7.437767 2.514135 0.000000 4.022683 2.889779 2.186528 2.758725 4.770110 4.191933 1.103952 2.822996 6.197984 5.164862 7.236764 6.776124 5.562534 6.113654 8.567861 8.182241 6.760613 7.221556 8.986865 7.509106 3.090926 4.590148 0.000000 4.535341 4.175153 2.198557 3.479829 5.647249 5.438500 1.105698 2.776168 6.979879 6.634543 7.945126 7.544645 7.141522 7.562013 9.234639 8.892191 8.416040 8.776221 9.660018 9.161520 2.535491 4.739628 1.795784 0.000000 3.577915 3.461045 2.209800 2.792695 4.537513 4.448044 1.105187 3.524945 5.761011 5.640592 6.913158 6.088590 5.948452 6.788393 8.119429 7.429480 7.275316 7.977788 8.347573 8.194140 2.517901 3.830949 1.786941 1.793155 0.000000 3.577036 3.461603 2.209814 2.792611 4.536857 4.448089 3.524952 1.105188 5.760022 5.640898 6.087419 6.912157 6.789319 5.948228 7.428173 8.118257 7.978759 7.275328 8.346265 8.194706 2.517985 3.829613 3.845049 3.788226 4.386163 0.000000 4.534920 4.175565 2.198564 3.479841 5.646976 5.438634 2.776279 1.105699 6.979406 6.634849 7.543959 7.944732 7.563284 7.140923 8.891423 9.234118 8.777461 8.415675 9.659328 9.162013 2.535394 4.738913 3.151975 2.538739 3.788243 1.793150 0.000000 4.022413 2.890463 2.186548 2.758870 4.770000 4.192264 2.822884 1.103954 6.197696 5.165387 6.775438 7.236744 6.115450 5.561765 8.181526 8.567704 7.223253 6.760160 8.986398 7.509801 3.090938 4.589627 2.642653 3.151621 3.845018 1.786953 1.795775 0.000000 3.461611 4.499850 5.666507 4.433021 2.730410 3.543333 6.929282 6.076724 2.176162 4.058245 1.096053 3.435984 5.174507 4.024254 2.180186 3.919808 6.054845 5.105266 3.443502 6.028166 5.714099 3.659472 7.139534 7.825374 7.014962 5.492552 7.086259 6.285208 0.000000 3.461469 4.499870 5.666450 4.432946 2.730412 3.543437 6.077482 6.929056 2.176163 4.058474 3.435985 1.096054 4.023472 5.175582 3.919808 2.180185 5.104754 6.055857 3.443501 6.028505 5.713561 3.659235 6.286148 7.087005 5.493675 7.014134 7.825159 7.139826 4.338550 0.000000 4.424993 3.452732 5.636800 4.374081 3.507629 2.730581 5.635880 6.545297 4.068054 2.174521 5.195859 4.049830 1.096097 3.432681 6.096520 5.154098 2.179837 3.917918 6.082501 3.443235 6.311943 5.275618 5.188747 6.715839 5.351904 6.903799 7.490881 6.195625 5.600427 3.543653 0.000000 4.425337 3.451752 5.635818 4.373520 3.508504 2.730568 6.543514 5.634463 4.069836 2.174519 4.051991 5.197748 3.432679 1.096097 5.156565 6.098783 3.917918 2.179838 6.085008 3.443236 6.311718 5.276198 6.192965 7.488933 6.902530 5.351001 6.714326 5.186687 3.545563 5.601980 4.335374 0.000000 5.514817 6.797039 7.932214 6.698244 4.699704 5.654050 9.121582 8.490396 3.451647 5.886237 2.176293 3.919535 6.662074 5.812783 1.095747 3.440088 7.287724 6.519173 2.180057 7.224306 7.819556 5.463819 9.398578 10.027905 9.022448 7.893959 9.460911 8.765630 2.508696 5.015511 7.033425 5.536303 0.000000 5.514727 6.797052 7.932173 6.698193 4.699705 5.654115 8.491246 9.121124 3.451648 5.886395 3.919536 2.176293 5.811559 6.663504 3.440089 1.095747 6.518162 7.289111 2.180057 7.224589 7.819162 5.463659 8.766548 9.461783 7.895324 9.021293 10.027441 9.398572 5.015511 2.508695 5.533806 7.035663 4.347488 0.000000 6.711099 5.508372 7.916932 6.638075 5.591185 4.701538 7.916396 8.589612 5.853746 3.450953 6.641724 5.786915 2.176858 3.917896 7.286513 6.516300 1.096062 3.439350 7.233078 2.180092 8.680923 7.591016 7.291685 8.963335 7.733639 8.881808 9.559657 8.041610 6.992553 5.480726 2.508429 5.013960 8.056972 6.783693 0.000000 6.711328 5.507757 7.916233 6.637706 5.591738 4.701532 8.588040 7.915615 5.854989 3.450953 5.788338 6.643289 3.917896 2.176858 6.518171 7.288489 3.439350 1.096062 7.235193 2.180093 8.680761 7.591423 8.039285 9.557902 8.880538 7.733340 8.962442 7.290516 5.481783 6.993945 5.013961 2.508431 6.785589 8.059057 4.347394 0.000000 6.300501 7.698821 8.855832 7.586995 5.428229 6.461835 9.764957 9.764238 3.942618 6.619705 3.442879 3.442878 6.925383 6.926871 2.181176 2.181176 7.490276 7.491659 1.095864 7.759244 8.687905 6.175939 10.069310 10.715412 9.384163 9.382787 10.714670 10.068801 4.349690 4.349689 7.012237 7.014851 2.513255 2.513254 7.972045 7.974351 0.000000 7.608030 6.296068 8.846482 7.525997 6.390018 5.431813 9.154788 9.155288 6.573751 3.943260 6.887495 6.887693 3.443488 3.443488 7.471092 7.471278 2.181753 2.181754 7.749934 1.096119 9.657468 8.523439 8.494260 10.179802 9.223351 9.223975 10.180339 8.494989 6.950270 6.950625 4.349955 4.349957 7.953516 7.953826 2.513961 2.513962 8.415825 0.000000 0.3600186 0.2636680 0.1775400 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= 228 228 229 229 229 MxSgAt= 38 MxSgA2= 38. 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 38 38 38 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 38 38 38 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 38 38 38 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= 12246 NPrTT= 62602 LenC2= 10877 LenP2D= 34801. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 236 RedAO= T EigKep= 8.52D-04 NBF= 236 NBsUse= 236 1.00D-06 EigRej= -1.00D+00 NBFU= 236 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= 227 227 227 227 229 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 0 1 -804.786833935140 -804.883924418078 -0.097090482938 -805.057804080490 -0.173879662412 -804.405803717171 0.652000363320 -805.043369254831 -0.637565537661 -805.123409526578 -0.080040271747 -805.123612939422 -0.000203412843 -805.123717360637 -0.000104421216 -805.123736328620 -0.000018967983 -805.123733402357 0.000002926263 -805.123733926368 -0.000000524011 -805.123733847743 0.000000078624 -805.123734079651 -0.000000231908 -805.123734093971 -0.000000014320 -805.123734094205 -0.000000000235 -805.123734094266 -0.000000000061 -805.123734094289 -0.000000000023 -805.123734094 17 8.016509812482e+02 -4.708721805395e+03 1.682934313130e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=397907015. IVT= 188546 IEndB= 188546 NGot= 939524096 MDV= 548272990 LenX= 548272990 LenY= 548216853 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= 27966 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -2.18051419e-01 -1.40551538e+00 6.61455435e-05 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 7 7 6 6 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 0.001187972 0.035034162 -0.000003231 0.012236542 -0.006048103 0.000000379 -0.003130419 -0.004761966 0.000005777 -0.012461220 -0.010473409 0.000007054 0.009145256 0.003631495 0.000000176 0.007324476 -0.013404821 0.000000234 0.003363791 0.005463046 0.005248989 0.003368675 0.005453304 -0.005255528 0.006210349 0.003003733 -0.000000099 0.003931460 -0.007169036 0.000000736 0.000135700 -0.000149202 -0.005444382 0.000135531 -0.000148266 0.005444657 0.000562455 -0.000440148 0.003604717 0.000566650 -0.000439101 -0.003605866 -0.004757544 -0.002715555 -0.009777190 -0.004758740 -0.002714610 0.009777785 -0.003071459 0.004112413 0.009314484 -0.003067211 0.004112791 -0.009314475 -0.009082976 -0.005145124 0.000000802 -0.006359853 0.007313228 -0.000000708 -0.002832727 0.006218377 -0.000004998 0.003348964 -0.015429120 0.000002251 -0.001632329 0.002364936 -0.001932266 0.007324657 -0.002575785 -0.000447450 -0.002653744 -0.003468841 0.005187266 -0.002656946 -0.003476398 -0.005184063 0.007324702 -0.002575326 0.000446992 -0.001630900 0.002370720 0.001928913 0.002462045 0.001435279 -0.003271753 0.002461963 0.001435567 0.003271303 0.001819862 -0.002406070 0.003738327 0.001820739 -0.002405450 -0.003736544 -0.002314866 -0.001204023 -0.004019591 -0.002314634 -0.001203210 0.004019053 -0.001949731 0.002226123 0.004536712 -0.001948286 0.002226648 -0.004538132 -0.004378185 -0.002387880 0.000000183 -0.003730018 0.004339620 -0.000000514 0.035034162 0.005803986 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -805.129941159803 -805.129986693645 -0.000045533842 -805.129978252405 0.000008441240 -805.129988257135 -0.000010004729 -805.129942987401 0.000045269733 -805.129943544028 -0.000000556626 -805.129943408254 0.000000135774 -805.129943650730 -0.000000242477 -805.129943656075 -0.000000005344 -805.129943656582 -0.000000000507 -805.129943656686 -0.000000000104 -805.129943656713 -0.000000000027 -805.129943657 12 8.009225803478e+02 -4.678829079473e+03 1.668403573570e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=397907015. IVT= 188546 IEndB= 188546 NGot= 939524096 MDV= 548272990 LenX= 548272990 LenY= 548216853 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= 27966 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -14.047865 -13.973280 -9.948854 -9.933280 -9.925087 -9.917476 -9.915576 -9.912592 -9.911815 -9.911754 -9.911450 -9.911440 -9.906098 -9.897919 -9.897139 -9.897074 -9.895473 -9.895462 -9.880508 -9.880491 -0.927629 -0.795752 -0.781385 -0.765076 -0.733369 -0.700899 -0.679285 -0.677484 -0.663877 -0.639791 -0.610728 -0.568273 -0.562686 -0.551109 -0.549995 -0.534561 -0.514235 -0.503193 -0.475413 -0.456412 -0.444129 -0.416834 -0.412394 -0.404180 -0.394808 -0.392283 -0.389431 -0.380371 -0.377763 -0.377387 -0.362860 -0.361540 -0.342747 -0.330558 -0.328717 -0.317983 -0.310497 -0.306793 -0.305370 -0.297128 -0.297090 -0.292303 -0.289558 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Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 N N C C 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 -0.438033 -0.072462 -0.185209 0.206666 0.144548 -0.082727 -0.692827 -0.692818 0.289659 0.346397 -0.388785 -0.388795 -0.399366 -0.399383 -0.226034 -0.226042 -0.231094 -0.231093 -0.238868 -0.242934 0.195304 0.305117 0.243556 0.210320 0.214973 0.214967 0.210337 0.243531 0.241758 0.241756 0.233814 0.233851 0.228523 0.228523 0.223197 0.223196 0.230859 0.225616 0.00000 -2.07250371e-01 -1.45057449e+00 8.21295601e-05 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.5268 -3.6870 0.0002 3.7244 -109.4629 -112.1777 -108.3255 -7.3732 -0.0035 -0.0038 0.5258 -2.1890 1.6632 -7.3732 -0.0035 -0.0038 -19.3101 7.9818 0.0461 -43.5388 -35.1154 0.0270 -29.7795 4.1195 -0.0035 -0.0067 -4577.0980 -3291.1717 -747.8352 49.2180 0.1044 -130.2494 0.1033 0.1363 0.1502 -1177.1374 -912.3319 -626.0015 0.0799 0.0611 7.0456 0 -805.1299437 6.422E-9 1.126E-4 0.3909164,-1.6274493,1.2365329,-5.481772,-0.0025986,-0.0028442 C01[X(C18H18N2)] -0.2072504 -1.4505745 0.0000821 @ 0.000193779 -0.000110702 -0.000001471 -0.000014236 0.000487497 -0.000006948 -0.000181563 0.000102605 0.000000375 0.000086549 -0.000579510 0.000002966 -0.000443817 0.000311066 0.000005338 0.000174954 -0.000235012 -0.000000638 0.000086317 0.000028726 0.000160160 0.000086056 0.000028481 -0.000159920 0.000174064 -0.000046003 -0.000000243 0.000111916 -0.000062370 0.000000964 0.000110763 0.000051127 -0.000114508 0.000110842 0.000050326 0.000114328 0.000091949 -0.000124741 0.000125523 0.000097385 -0.000120203 -0.000125993 -0.000106315 -0.000050583 -0.000015991 -0.000106127 -0.000050780 0.000016090 -0.000083257 0.000087617 -0.000008354 -0.000082779 0.000087455 0.000007978 -0.000073615 -0.000044922 -0.000000059 -0.000062025 0.000076061 0.000000401 0.000029346 -0.000004337 -0.000000171 -0.000065313 0.000080290 -0.000000511 -0.000001503 -0.000063951 -0.000009085 -0.000068782 0.000018981 0.000024243 0.000032913 0.000051376 -0.000036190 0.000032913 0.000051613 0.000036209 -0.000068882 0.000018943 -0.000023996 -0.000001531 -0.000064009 0.000009069 -0.000028936 -0.000008291 0.000058422 -0.000028935 -0.000008432 -0.000058322 -0.000015120 0.000029465 -0.000062305 -0.000014952 0.000029494 0.000062584 -0.000010004 -0.000004989 0.000018406 -0.000010049 -0.000005015 -0.000018432 -0.000001658 0.000003370 -0.000021123 -0.000001708 0.000003284 0.000021198 0.000026516 0.000007076 -0.000000024 0.000024846 -0.000021003 0.000000028 244.2059999999999 AuxInfo=1/0/N:7,8,19,20,15,16,17,18,11,12,13,14,3,9,10,5,6,4,1,2/E:(1,2)(5,6)(7,8)(9,10)(11,12)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,20.2/rA:38NN2CC3C3C3CCC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s1s2s3;s1;s2s5;s3;s3;s5;s6;s9;s9;s10;s10;s11;s12;s13;s14;s15s16;s17s18;s3;s1;s7;s7;s7;s8;s8;s8;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2034 CBGUSER 000294543 EM64L-G09RevD.01 17-Apr-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 108 C1[X(C18H18N2)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 244.2059999999999 0 1 AuxInfo=1/0/N:7,8,19,20,15,16,17,18,11,12,13,14,3,9,10,5,6,4,1,2/E:(1,2)(5,6)(7,8)(9,10)(11,12)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,20.2/rA:38NN2CC3C3C3CCC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s1s2s3;s1;s2s5;s3;s3;s5;s6;s9;s9;s10;s10;s11;s12;s13;s14;s15s16;s17s18;s3;s1;s7;s7;s7;s8;s8;s8;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-6043.inp" -scrdir="/scratch/" chk=000294543-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 000294543 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 14 14 12 12 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 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 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 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000580 0.000112 0.011352 0.003133 0.000450 0.000300 0.001800 0.001200 NO YES NO NO -1.890722e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1404.3730032894 236 552 236 70 70 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 38 38 38 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 244.2059999999999 AuxInfo=1/0/N:7,8,19,20,15,16,17,18,11,12,13,14,3,9,10,5,6,4,1,2/E:(1,2)(5,6)(7,8)(9,10)(11,12)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,20.2/rA:38NN2CC3C3C3CCC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s1s2s3;s1;s2s5;s3;s3;s5;s6;s9;s9;s10;s10;s11;s12;s13;s14;s15s16;s17s18;s3;s1;s7;s7;s7;s8;s8;s8;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.247204 0.000000 2.561111 2.551447 0.000000 1.392725 1.348613 1.511298 0.000000 1.407595 2.308049 3.728963 2.275169 0.000000 2.226455 1.411894 3.686952 2.210687 1.404014 0.000000 3.614604 3.151071 1.551698 2.518239 4.624941 4.373299 0.000000 3.614144 3.151539 1.551708 2.518253 4.624642 4.373432 2.554357 0.000000 2.537804 3.773058 5.069249 3.694907 1.485613 2.647105 5.980591 5.980102 0.000000 3.686243 2.538996 5.045197 3.633757 2.597247 1.488556 5.567346 5.567647 3.323716 0.000000 3.422336 4.654925 5.877559 4.569474 2.525039 3.542535 6.999700 6.537956 1.420475 4.027967 0.000000 3.422257 4.654936 5.877530 4.569434 2.525040 3.542593 6.538651 6.999299 1.420475 4.028094 2.444286 0.000000 4.568989 3.419150 5.856059 4.508718 3.487552 2.526196 6.059401 6.554045 4.014763 1.418646 4.909859 4.259341 0.000000 4.569178 3.418595 5.855529 4.508414 3.488049 2.526190 6.552864 6.058857 4.015781 1.418646 4.260413 4.911059 2.440818 0.000000 4.700897 6.023161 7.204659 5.923185 3.823035 4.845088 8.295592 7.909415 2.461793 5.142505 1.412585 2.823807 5.830739 5.295510 0.000000 4.700838 6.023169 7.204633 5.923152 3.823036 4.845130 7.910173 8.295075 2.461792 5.142607 2.823808 1.412584 5.294229 5.832135 2.445906 0.000000 5.934459 4.696535 7.189388 5.862141 4.779934 3.825160 7.355893 7.769178 5.110199 2.461056 5.810747 5.271750 1.412766 2.821844 6.557039 6.084193 0.000000 5.934604 4.696129 7.188954 5.861905 4.780297 3.825155 7.768046 7.355582 5.111001 2.461055 5.272560 5.811816 2.821844 1.412765 6.085260 6.558331 2.444630 0.000000 5.227581 6.605805 7.787261 6.498766 4.332369 5.383509 8.698528 8.697852 2.846758 5.621661 2.449473 2.449473 6.000462 6.001892 1.414222 1.414222 6.683582 6.684870 0.000000 6.515328 5.224105 7.775520 6.437757 5.313909 4.335694 8.124360 8.124824 5.581644 2.847141 5.970273 5.970461 2.449519 2.449519 6.673618 6.673790 1.414107 1.414108 7.002582 0.000000 2.626908 3.408424 1.110550 2.132565 3.993092 4.312313 2.175193 2.175191 5.134941 5.761504 5.878344 5.878052 6.585456 6.585337 7.114669 7.114425 7.960190 7.960090 7.661320 8.570078 0.000000 1.020233 3.228104 2.871281 2.161070 2.159435 3.213868 3.962588 3.961848 2.821084 4.640283 3.559193 3.559058 5.483906 5.484222 4.685214 4.685110 6.845395 6.845648 5.159751 7.437766 2.514134 0.000000 4.022684 2.889779 2.186528 2.758726 4.770111 4.191933 1.103952 2.822996 6.197984 5.164862 7.236765 6.776125 5.562535 6.113654 8.567862 8.182241 6.760613 7.221556 8.986866 7.509106 3.090927 4.590148 0.000000 4.535341 4.175153 2.198557 3.479830 5.647250 5.438500 1.105698 2.776168 6.979878 6.634542 7.945125 7.544645 7.141522 7.562012 9.234639 8.892191 8.416040 8.776221 9.660017 9.161519 2.535491 4.739627 1.795784 0.000000 3.577915 3.461045 2.209800 2.792695 4.537513 4.448043 1.105187 3.524945 5.761010 5.640592 6.913157 6.088590 5.948452 6.788393 8.119428 7.429480 7.275316 7.977788 8.347572 8.194140 2.517901 3.830949 1.786942 1.793155 0.000000 3.577036 3.461603 2.209814 2.792610 4.536857 4.448088 3.524952 1.105188 5.760021 5.640898 6.087418 6.912157 6.789319 5.948227 7.428173 8.118257 7.978759 7.275327 8.346265 8.194705 2.517985 3.829612 3.845049 3.788227 4.386163 0.000000 4.534920 4.175565 2.198564 3.479841 5.646977 5.438634 2.776279 1.105698 6.979406 6.634849 7.543959 7.944732 7.563284 7.140923 8.891423 9.234118 8.777460 8.415674 9.659328 9.162012 2.535395 4.738912 3.151975 2.538740 3.788243 1.793150 0.000000 4.022413 2.890462 2.186547 2.758870 4.770001 4.192264 2.822884 1.103954 6.197696 5.165386 6.775438 7.236744 6.115450 5.561765 8.181526 8.567703 7.223253 6.760159 8.986397 7.509801 3.090938 4.589626 2.642653 3.151622 3.845019 1.786953 1.795776 0.000000 3.461611 4.499851 5.666508 4.433022 2.730410 3.543333 6.929283 6.076724 2.176162 4.058245 1.096054 3.435985 5.174507 4.024254 2.180186 3.919808 6.054845 5.105265 3.443501 6.028166 5.714100 3.659472 7.139535 7.825375 7.014963 5.492553 7.086260 6.285208 0.000000 3.461469 4.499870 5.666451 4.432945 2.730412 3.543437 6.077482 6.929056 2.176162 4.058475 3.435984 1.096053 4.023471 5.175581 3.919808 2.180185 5.104754 6.055857 3.443501 6.028504 5.713561 3.659235 6.286148 7.087004 5.493675 7.014133 7.825159 7.139825 4.338550 0.000000 4.424994 3.452732 5.636800 4.374081 3.507629 2.730581 5.635880 6.545297 4.068054 2.174521 5.195860 4.049831 1.096098 3.432681 6.096521 5.154098 2.179838 3.917918 6.082501 3.443235 6.311943 5.275617 5.188748 6.715838 5.351903 6.903799 7.490881 6.195624 5.600427 3.543653 0.000000 4.425337 3.451753 5.635819 4.373520 3.508504 2.730568 6.543514 5.634463 4.069836 2.174518 4.051991 5.197748 3.432678 1.096097 5.156564 6.098783 3.917917 2.179837 6.085007 3.443235 6.311718 5.276198 6.192965 7.488933 6.902530 5.351001 6.714326 5.186687 3.545563 5.601979 4.335374 0.000000 5.514816 6.797038 7.932214 6.698243 4.699703 5.654050 9.121582 8.490396 3.451647 5.886237 2.176293 3.919534 6.662073 5.812783 1.095747 3.440088 7.287724 6.519173 2.180056 7.224306 7.819555 5.463818 9.398578 10.027905 9.022448 7.893958 9.460911 8.765629 2.508696 5.015510 7.033424 5.536302 0.000000 5.514728 6.797052 7.932174 6.698193 4.699705 5.654116 8.491247 9.121124 3.451648 5.886396 3.919536 2.176293 5.811559 6.663504 3.440089 1.095748 6.518163 7.289111 2.180057 7.224589 7.819162 5.463660 8.766549 9.461783 7.895323 9.021293 10.027441 9.398572 5.015512 2.508696 5.533806 7.035663 4.347488 0.000000 6.711099 5.508372 7.916932 6.638076 5.591186 4.701538 7.916397 8.589613 5.853746 3.450954 6.641724 5.786916 2.176859 3.917896 7.286513 6.516300 1.096062 3.439350 7.233078 2.180092 8.680923 7.591016 7.291686 8.963336 7.733640 8.881808 9.559657 8.041610 6.992554 5.480726 2.508430 5.013960 8.056972 6.783693 0.000000 6.711327 5.507757 7.916232 6.637706 5.591737 4.701531 8.588040 7.915615 5.854989 3.450953 5.788338 6.643290 3.917896 2.176857 6.518171 7.288489 3.439349 1.096062 7.235192 2.180092 8.680761 7.591422 8.039285 9.557902 8.880537 7.733339 8.962441 7.290516 5.481783 6.993944 5.013961 2.508430 6.785589 8.059057 4.347394 0.000000 6.300501 7.698820 8.855833 7.586994 5.428228 6.461835 9.764957 9.764239 3.942618 6.619706 3.442879 3.442878 6.925382 6.926872 2.181176 2.181176 7.490277 7.491658 1.095864 7.759243 8.687905 6.175939 10.069310 10.715412 9.384163 9.382786 10.714670 10.068800 4.349690 4.349689 7.012237 7.014851 2.513255 2.513254 7.972044 7.974350 0.000000 7.608031 6.296069 8.846483 7.525998 6.390019 5.431814 9.154788 9.155288 6.573752 3.943261 6.887496 6.887694 3.443488 3.443488 7.471092 7.471278 2.181753 2.181755 7.749934 1.096120 9.657468 8.523439 8.494261 10.179802 9.223351 9.223975 10.180340 8.494989 6.950270 6.950625 4.349956 4.349957 7.953516 7.953827 2.513960 2.513963 8.415825 0.000000 C18H18N2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 244.2059999999999 AuxInfo=1/0/N:7,8,19,20,15,16,17,18,11,12,13,14,3,9,10,5,6,4,1,2/E:(1,2)(5,6)(7,8)(9,10)(11,12)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,20.2/rA:38NN2CC3C3C3CCC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s1s2s3;s1;s2s5;s3;s3;s5;s6;s9;s9;s10;s10;s11;s12;s13;s14;s15s16;s17s18;s3;s1;s7;s7;s7;s8;s8;s8;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3600186 0.2636680 0.1775400 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= 12246 NPrTT= 62602 LenC2= 10877 LenP2D= 34801. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 236 RedAO= T EigKep= 8.52D-04 NBF= 236 NBsUse= 236 1.00D-06 EigRej= -1.00D+00 NBFU= 236 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= 227 227 227 227 229 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 0 1 -804.813103262018 -804.900677033042 -0.087573771024 -805.065036695770 -0.164359662729 -804.425368776325 0.639667919445 -805.051143712789 -0.625774936464 -805.129557333308 -0.078413620519 -805.129846855018 -0.000289521710 -805.129969041387 -0.000122186369 -805.129990196130 -0.000021154743 -805.129942458751 0.000047737379 -805.129942972267 -0.000000513515 -805.129942983027 -0.000000010760 -805.129943142949 -0.000000159923 -805.129943152658 -0.000000009708 -805.129943153119 -0.000000000461 -805.129943153173 -0.000000000054 -805.129943153212 -0.000000000039 -805.129943153 17 8.009225849702e+02 -4.678829116442e+03 1.668403585029e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=397907407. IVT= 188938 IEndB= 188938 NGot= 939524096 MDV= 548272598 LenX= 548272598 LenY= 548216461 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= 27966 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= 38. Will process 39 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111 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= 939523476 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=397729700. 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= 27966 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 117 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 114 vectors produced by pass 0 Test12= 1.16D-14 1.00D-09 XBig12= 3.46D+02 7.66D+00. AX will form 114 AO Fock derivatives at one time. 114 vectors produced by pass 1 Test12= 1.16D-14 1.00D-09 XBig12= 8.43D+01 2.14D+00. 114 vectors produced by pass 2 Test12= 1.16D-14 1.00D-09 XBig12= 3.57D-01 6.04D-02. 114 vectors produced by pass 3 Test12= 1.16D-14 1.00D-09 XBig12= 7.70D-05 9.58D-04. 81 vectors produced by pass 4 Test12= 1.16D-14 1.00D-09 XBig12= 3.02D-08 1.94D-05. 8 vectors produced by pass 5 Test12= 1.16D-14 1.00D-09 XBig12= 4.20D-12 2.40D-07. 3 vectors produced by pass 6 Test12= 1.16D-14 1.00D-09 XBig12= 1.36D-15 3.19D-09. InvSVY: IOpt=1 It= 1 EMax= 4.26D-14 Solved reduced A of dimension 548 with 117 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 200.18 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 232.023 0.293 190.092 -0.020 0.017 178.428 375.350 -0.325 328.374 -0.052 0.045 370.057 (Enter /mnt/data/applications/G09/g09/l716.exe) PT3258.600S 2018-04-17T12:38:53.000+02:00 -14.04786 -13.97328 -9.94885 -9.93328 -9.92509 -9.91748 -9.91558 -9.91259 -9.91181 -9.91175 -9.91145 -9.91144 -9.90610 -9.89792 -9.89714 -9.89707 -9.89547 -9.89546 -9.88051 -9.88049 -0.92763 -0.79575 -0.78138 -0.76508 -0.73337 -0.70090 -0.67929 -0.67748 -0.66388 -0.63979 -0.61073 -0.56827 -0.56269 -0.55111 -0.55000 -0.53456 -0.51424 -0.50319 -0.47541 -0.45641 -0.44413 -0.41683 -0.41239 -0.40418 -0.39481 -0.39228 -0.38943 -0.38037 -0.37776 -0.37739 -0.36286 -0.36154 -0.34275 -0.33056 -0.32872 -0.31798 -0.31050 -0.30679 -0.30537 -0.29713 -0.29709 -0.29230 -0.28956 -0.23849 -0.23513 -0.23123 -0.21571 -0.21396 -0.20245 -0.18929 -0.04749 -0.04395 -0.02970 -0.02705 -0.00477 0.02493 0.05807 0.08472 0.08953 0.09692 0.10383 0.10703 0.11987 0.12212 0.12291 0.12722 0.13705 0.13884 0.14194 0.14295 0.14896 0.15136 0.16308 0.16903 0.17483 0.17615 0.18865 0.19138 0.19503 0.19961 0.20331 0.20552 0.22130 0.22229 0.22331 0.22634 0.22701 0.25271 0.25734 0.25811 0.26533 0.27730 0.28241 0.28596 0.29318 0.29341 0.29444 0.30735 0.30835 0.31557 0.32199 0.33159 0.34095 0.34233 0.34766 0.34904 0.35498 0.35997 0.36326 0.36831 0.37107 0.37160 0.37960 0.38747 0.39024 0.39985 0.40612 0.41187 0.41474 0.41715 0.42230 0.42969 0.43462 0.44749 0.44763 0.45565 0.46393 0.47428 0.47522 0.48188 0.48781 0.49792 0.50423 0.53782 0.54065 0.54910 0.56033 0.56173 0.57856 0.60140 0.60875 0.61843 0.62778 0.63057 0.63629 0.66124 0.66957 0.67661 0.68329 0.69200 0.69499 0.70643 0.73315 0.74230 0.75111 0.78858 0.81858 0.83096 0.86970 0.89374 0.91027 0.91317 0.92012 0.93504 0.94656 0.94786 0.95614 0.97572 0.99440 1.02954 1.03619 1.05161 1.05680 1.06400 1.09521 1.11117 1.11720 1.13926 1.14085 1.14590 1.14732 1.15325 1.16929 1.17585 1.20507 1.22699 1.24762 1.26172 1.27071 1.31531 1.31603 1.35553 1.43164 1.48759 1.51852 1.55418 22.30966 22.42610 22.46300 22.50561 22.54781 22.56608 22.58267 22.60074 22.61492 22.62531 22.65859 22.67134 22.67564 22.69035 22.69152 22.73302 22.77266 22.79059 31.46925 31.59471 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 N N C C 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 -0.438030 -0.072461 -0.185209 0.206667 0.144544 -0.082724 -0.692829 -0.692820 0.289667 0.346380 -0.388789 -0.388800 -0.399358 -0.399375 -0.226034 -0.226041 -0.231092 -0.231091 -0.238871 -0.242931 0.195304 0.305117 0.243556 0.210321 0.214974 0.214967 0.210338 0.243532 0.241760 0.241758 0.233811 0.233848 0.228523 0.228523 0.223196 0.223196 0.230860 0.225615 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 N N C C C C C C C C C C C C C C C C C C -0.132913 -0.072461 0.010094 0.206667 0.144544 -0.082724 -0.023978 -0.023983 0.289667 0.346380 -0.147029 -0.147042 -0.165548 -0.165527 0.002490 0.002482 -0.007896 -0.007896 -0.008012 -0.017316 0.00000 2.02839300e-01 -1.45120026e+00 -8.15259609e-05 2.32022649e+02 2.93133492e-01 1.90091757e+02 -2.04153394e-02 1.74099783e-02 1.78428402e+02 -55.7219 -49.2001 -6.4156 -1.9201 -0.0007 -0.0004 0.0004 6.0632 13.0096 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -55.6948 -49.1862 12.3687 39.0915 54.9869 75.3154 87.4381 131.8085 163.7553 219.8345 221.1341 236.1970 260.6785 310.0227 316.7552 351.1867 365.4264 373.1223 399.3951 402.1742 473.0680 497.4292 518.0048 580.5305 611.0701 618.2634 646.4276 668.1330 673.0882 702.1151 704.4370 715.7810 722.8373 741.1169 767.7617 779.5882 849.1511 856.5634 881.4146 917.9794 919.5830 927.6209 955.1158 956.3455 972.2502 979.5939 986.7870 989.4285 989.9378 993.0811 997.8717 1020.5497 1031.1913 1061.7439 1075.7813 1075.8275 1092.3249 1114.9353 1155.2814 1170.5189 1170.7016 1172.4234 1184.8099 1186.8098 1208.3290 1258.9469 1286.2199 1305.5126 1309.2175 1309.7193 1368.3341 1370.0949 1373.6174 1387.9832 1394.4578 1401.1804 1429.4092 1429.7219 1461.4940 1462.0574 1472.4687 1476.7218 1482.8185 1496.0336 1520.2224 1573.0149 1582.4126 1584.8698 1616.4221 1629.8052 2966.1418 2979.3635 2982.4691 3073.7472 3078.6176 3089.9276 3096.1441 3119.0949 3123.0662 3125.8124 3128.8129 3138.0333 3140.5258 3147.3175 3149.9449 3161.9451 3164.6517 3571.2020 3.9343 3.7709 2.7548 5.3807 3.9830 4.1417 5.0834 3.7512 3.4487 1.0234 4.4587 2.8252 1.2580 3.9330 5.2744 4.4478 3.1239 4.4999 2.8092 2.8189 3.1648 6.8632 3.3354 3.4619 6.4831 6.4972 3.3816 6.4930 1.1571 1.6732 1.8111 3.6515 7.1366 9.9247 1.8811 2.1034 1.2465 1.2416 2.7669 1.1494 1.4657 1.4104 6.7688 1.5048 1.3912 1.3859 4.9469 6.1349 4.7267 1.4103 1.3228 2.9493 1.9995 1.9322 1.6003 1.5903 2.0682 2.4387 1.9343 3.6496 1.0533 1.0541 1.1141 1.1161 1.8951 5.4876 1.3567 2.1444 1.3617 1.3769 6.6537 7.1602 1.1934 1.5607 1.8150 3.3090 2.2192 2.2157 2.2881 1.0443 1.0496 1.0469 1.4638 2.0109 3.1929 6.5735 5.9763 6.0678 6.3619 7.2168 1.0818 1.0347 1.0369 1.1008 1.0999 1.1008 1.0999 1.0842 1.0845 1.0876 1.0879 1.0925 1.0926 1.0969 1.0970 1.1018 1.1018 1.0813 0.0072 0.0054 0.0002 0.0048 0.0071 0.0138 0.0229 0.0384 0.0545 0.0291 0.1285 0.0929 0.0504 0.2227 0.3118 0.3232 0.2458 0.3691 0.2640 0.2686 0.4173 1.0005 0.5273 0.6874 1.4263 1.4633 0.8325 1.7077 0.3089 0.4860 0.5295 1.1023 2.1970 3.2118 0.6533 0.7532 0.5296 0.5367 1.2665 0.5707 0.7303 0.7150 3.6381 0.8109 0.7748 0.7836 2.8381 3.5386 2.7291 0.8195 0.7761 1.8098 1.2527 1.2833 1.0912 1.0844 1.4540 1.7861 1.5211 2.9462 0.8505 0.8537 0.9214 0.9262 1.6302 5.1244 1.3224 2.1534 1.3752 1.3916 7.3400 7.9191 1.3267 1.7715 2.0794 3.8277 2.6716 2.6685 2.8795 1.3153 1.3408 1.3451 1.8963 2.6517 4.3476 9.5833 8.8171 8.9799 9.7936 11.2944 5.6077 5.4117 5.4342 6.1275 6.1419 6.1924 6.2124 6.2145 6.2325 6.2609 6.2745 6.3387 6.3492 6.4020 6.4128 6.4900 6.5013 8.1253 0.1932 0.0391 0.0642 0.1261 0.6329 1.1158 3.2930 0.1902 1.5733 0.0006 0.2242 0.9134 0.0991 1.2401 2.3374 2.5342 0.4328 2.7230 0.0590 0.0033 1.8183 0.7984 8.5892 20.9433 0.0140 0.0016 1.6756 3.2953 68.1309 61.0501 48.3026 5.1221 0.7939 0.0612 40.0240 51.5025 0.0172 1.0978 0.7994 4.7511 5.9068 3.0577 20.0335 0.1344 0.0002 0.3477 10.7354 2.9308 3.4493 0.1566 0.1789 6.4529 4.6080 14.1352 14.5809 5.3193 29.2708 1.7729 1.2433 25.6132 0.0002 0.0000 1.4358 0.1964 1.1608 16.6298 0.4283 50.9427 0.2443 0.6940 0.0671 0.0021 16.6409 12.6576 2.1031 34.5631 12.7241 1.3160 16.0276 4.4899 1.7814 17.1126 11.6019 11.6325 41.4591 9.0981 2.2255 1.1641 7.0333 1.0759 30.5246 34.0609 42.9903 17.5272 77.5058 5.6661 46.9516 1.7560 2.1695 0.6117 0.6121 25.6266 20.1369 30.2772 44.7017 21.2289 21.2559 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