Gaussian 09 GINC-KIMIK2019 CBGUSER 000224405 EM64L-G09RevD.01 2-Dec-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 178.12319999999994 0 1 AuxInfo=1/0/N:14,13,10,8,9,5,6,7,4,11,12,3,1,2/E:(4,5)(6,7)/CRV:11.3,14.1/rA:35OO1NCCCCCCCCC3CCHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s4;s5;s6;s8s9;s3s7;s1s2s11;s3;s13;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s3;s13;s13;s14;s14;s14;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-23498.inp" -scrdir="/scratch/" chk=000224405.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 000224405 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 16 16 14 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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 1 1 2 3 3 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 13 13 13 14 14 14 12 35 12 11 13 29 5 6 7 15 8 16 17 9 18 19 11 20 21 10 22 23 10 24 25 26 27 12 28 14 30 31 32 33 34 1.3766 0.9933 1.2061 1.4848 1.4965 1.0272 1.5423 1.5427 1.5419 1.1187 1.5347 1.1059 1.1065 1.5349 1.1059 1.1061 1.5408 1.1072 1.1095 1.535 1.1058 1.1072 1.535 1.1072 1.1059 1.1057 1.1067 1.5296 1.1271 1.5266 1.1124 1.1147 1.0998 1.0957 1.0961 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 12 11 11 13 5 5 5 6 6 7 4 4 4 8 8 16 4 4 4 9 9 18 4 4 4 11 11 20 5 5 5 10 10 22 6 6 6 10 10 24 8 8 8 9 9 26 3 3 3 7 7 12 1 1 2 3 3 3 14 14 30 13 13 13 32 32 33 1 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 35 13 29 29 6 7 15 7 15 15 8 16 17 16 17 17 9 18 19 18 19 19 11 20 21 20 21 21 10 22 23 22 23 23 10 24 25 24 25 25 9 26 27 26 27 27 7 12 28 12 28 28 2 11 11 14 30 31 30 31 31 32 33 34 33 34 34 112.9508 113.0395 110.6124 110.9376 110.2341 111.1934 108.3337 109.9845 108.2509 108.7674 110.9324 110.0526 109.9933 109.7197 109.7569 106.2783 110.9396 110.092 110.0469 109.7141 109.7304 106.2067 112.4429 109.8604 109.7768 109.4017 109.8067 105.3056 111.2857 109.8524 109.7875 109.9707 109.7844 106.0242 111.3877 109.7816 109.8 109.7525 109.9502 106.0275 111.1488 109.9723 109.7608 109.9628 109.7539 106.1173 115.4523 104.7572 108.9961 108.7423 109.947 108.6623 120.0945 109.2407 130.6444 109.6971 112.9806 107.1558 110.031 109.9798 106.8996 111.2018 112.3558 110.9456 107.2721 107.2641 107.5602 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 35 35 13 13 13 29 29 29 11 11 11 29 29 29 6 6 6 7 7 7 15 15 15 5 5 5 7 7 7 15 15 15 5 5 5 6 6 6 15 15 15 4 4 4 16 16 16 17 17 17 4 4 4 18 18 18 19 19 19 4 4 4 20 20 20 21 21 21 5 5 5 22 22 22 23 23 23 6 6 6 24 24 24 25 25 25 3 3 7 7 28 28 3 3 3 30 30 30 31 31 31 1 1 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 12 12 11 11 11 11 11 11 13 13 13 13 13 13 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 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 2 11 7 12 28 7 12 28 14 30 31 14 30 31 8 16 17 8 16 17 8 16 17 9 18 19 9 18 19 9 18 19 11 20 21 11 20 21 11 20 21 10 22 23 10 22 23 10 22 23 10 24 25 10 24 25 10 24 25 3 12 28 3 12 28 3 12 28 9 26 27 9 26 27 9 26 27 8 26 27 8 26 27 8 26 27 1 2 1 2 1 2 32 33 34 32 33 34 32 33 34 2.6641 -178.8074 78.0041 -162.4341 -46.2892 -47.0847 72.4771 -171.378 -167.9948 -44.8336 72.6422 -43.0822 80.0791 -162.4451 56.8651 -64.7489 178.4861 179.1135 57.4995 -59.2655 -61.4143 176.9718 60.2067 -56.7104 -178.3488 64.9182 -179.6688 58.6928 -58.0402 61.6197 -60.0187 -176.7517 70.7201 -51.3757 -166.7247 -166.887 71.0171 -44.3319 -48.4933 -170.5891 74.0619 -56.3682 -178.3987 65.3826 65.4407 -56.5898 -172.8086 -178.1276 59.8419 -56.3768 56.1103 -65.6639 178.1471 177.9698 56.1956 -59.9934 -65.7035 172.5223 56.3333 -169.2398 73.4122 -45.4441 -46.8844 -164.2323 76.9114 68.2219 -49.126 -167.9823 55.2312 177.242 -66.3724 177.1931 -60.796 55.5896 -66.5213 55.4895 171.8751 -55.1306 -177.147 66.477 66.6605 -55.3559 -171.732 -177.0805 60.9031 -55.4729 121.2884 -60.3896 -114.7469 63.5751 4.9128 -176.7653 -52.5976 67.6597 -171.894 -177.4807 -57.2235 63.2229 65.0173 -174.7255 -54.2792 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 210 210 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 35 35 35 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= 8001 NPrTT= 39697 LenC2= 7404 LenP2D= 24399. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 182 RedAO= T EigKep= 1.45D-03 NBF= 182 NBsUse= 182 1.00D-06 EigRej= -1.00D+00 NBFU= 182 Using GEDIIS/GDIIS optimizer. local minimum Step number 12 out of a maximum of 210 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00101 0.00224 0.00266 0.00394 0.00433 0.00458 0.00486 0.00501 0.00572 0.01504 0.01775 0.01866 0.01978 0.03168 0.03510 0.03626 0.03841 0.04096 0.04129 0.04240 0.04402 0.04486 0.04732 0.04748 0.04804 0.04845 0.05075 0.05463 0.05516 0.05540 0.05577 0.05633 0.05942 0.06432 0.06613 0.08020 0.08074 0.08134 0.08201 0.08244 0.08344 0.08410 0.08735 0.08963 0.12031 0.12092 0.12375 0.12540 0.12722 0.14129 0.15198 0.15952 0.15989 0.16028 0.16101 0.17717 0.17815 0.19108 0.20915 0.21553 0.22023 0.22618 0.24438 0.25467 0.27005 0.27184 0.27680 0.27780 0.28695 0.28785 0.29246 0.29410 0.29615 0.30284 0.31618 0.31975 0.32188 0.32334 0.32512 0.32715 0.32882 0.32902 0.32939 0.32955 0.32995 0.33029 0.33041 0.33053 0.33059 0.33176 0.33234 0.33755 0.34154 0.34447 0.37520 0.43197 0.48758 0.49921 0.87778 RFO step: Lambda=-4.45321137D-08. 1 2 3 0.00192505 0.00000317 0.00000000 0.00000214 0.00000039 0.00000039 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 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 D97 D98 D99 D100 D101 2.64488 1.88425 2.36463 2.79366 2.78845 1.94485 2.93292 2.93363 2.92885 2.10233 2.92526 2.10036 2.09084 2.92257 2.09481 2.10010 2.96104 2.09557 2.09712 2.92279 2.09292 2.09748 2.92342 2.09747 2.09296 2.09282 2.09779 2.88210 2.08601 2.90869 2.11262 2.09461 2.08554 2.09158 2.08843 1.90637 2.04203 1.95100 1.98414 1.92401 1.96669 1.87799 1.91883 1.87479 1.89865 1.95449 1.89734 1.92444 1.90748 1.90728 1.87084 1.95990 1.91378 1.89871 1.92199 1.90457 1.86212 2.02980 1.89747 1.90905 1.87359 1.87802 1.86957 1.94909 1.91839 1.90252 1.92498 1.90460 1.86203 1.94065 1.90638 1.92099 1.90462 1.92595 1.86348 1.93616 1.92476 1.90606 1.92531 1.90519 1.86480 2.00705 1.86055 1.88584 1.90711 1.91032 1.88935 2.13070 1.96258 2.18977 1.92690 1.98207 1.88014 1.90281 1.91097 1.85883 1.92483 1.93815 1.93378 1.88494 1.90036 1.88032 0.00237 3.12704 1.16941 -2.99735 -0.96994 -1.16163 0.95480 2.98220 3.00604 -1.13397 0.92018 -0.96092 1.18225 -3.04679 0.94498 -1.16432 3.07271 3.09581 0.98651 -1.05965 -1.09443 3.07945 1.03329 -0.95308 -3.09577 1.15697 -3.13157 1.00893 -1.02152 1.08832 -1.05437 -3.08482 1.07064 -1.04541 -3.08144 -3.05883 1.10830 -0.92773 -1.01033 -3.12638 1.12077 -0.96330 -3.10565 1.14243 1.14012 -1.00223 -3.03733 -3.10083 1.04001 -0.99509 0.97122 -1.13174 3.11085 3.10926 1.00631 -1.03428 -1.13545 3.04478 1.00418 -3.12266 1.06965 -0.99650 -0.99397 -3.08484 1.13218 1.01318 -1.07769 3.13934 0.96219 3.10057 -1.13844 3.10077 -1.04404 1.00015 -1.14233 0.99605 3.04023 -0.96243 -3.10049 1.13871 1.14156 -0.99649 -3.04048 -3.09920 1.04593 -0.99806 2.29845 -0.86075 -1.80581 1.31818 0.27340 -2.88580 -1.01258 1.07630 -3.11792 3.08179 -1.11251 0.97645 1.05454 -3.13976 -1.05080 0.00005 0.00001 -0.00007 -0.00003 0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00001 0.00003 -0.00001 -0.00002 0.00001 0.00001 0.00001 0.00001 0.00000 0.00002 -0.00004 0.00000 0.00003 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00002 0.00000 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00002 0.00000 0.00000 0.00001 -0.00001 0.00002 0.00000 -0.00002 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00002 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 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 0.00000 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 0.00002 0.00001 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00004 0.00001 0.00000 0.00007 0.00004 0.00007 -0.00007 0.00004 -0.00001 0.00002 0.00002 0.00001 0.00002 0.00000 0.00002 0.00004 -0.00019 0.00003 0.00003 0.00000 0.00002 0.00002 0.00004 0.00002 0.00000 0.00001 0.00002 0.00009 -0.00007 -0.00004 0.00001 -0.00002 0.00003 0.00005 0.00002 0.00011 -0.00027 -0.00014 -0.00009 0.00007 0.00004 0.00005 -0.00010 0.00001 -0.00007 0.00001 -0.00005 0.00000 0.00001 -0.00002 0.00005 0.00005 -0.00003 -0.00007 0.00006 -0.00003 0.00001 -0.00003 0.00006 -0.00011 0.00002 0.00002 0.00006 0.00008 -0.00005 -0.00002 0.00001 -0.00002 0.00001 -0.00006 0.00001 -0.00001 0.00000 0.00004 0.00003 0.00000 -0.00004 0.00000 0.00006 -0.00002 0.00001 -0.00013 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0.00000 0.00007 0.00000 -0.00012 -0.00007 0.00004 -0.00002 0.00009 -0.00005 -0.00001 0.00000 -0.00005 -0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00014 -0.00006 0.00000 -0.00003 -0.00001 -0.00001 -0.00007 0.00000 0.00001 0.00000 0.00000 0.00005 0.00002 -0.00006 0.00002 0.00004 -0.00001 -0.00002 -0.00003 0.00009 -0.00006 0.00002 0.00006 -0.00010 -0.00004 -0.00002 0.00015 -0.00002 0.00003 0.00007 -0.00004 0.00004 0.00001 -0.00004 -0.00004 0.00001 -0.00002 0.00006 -0.00007 0.00005 -0.00003 -0.00005 0.00005 0.00008 0.00002 -0.00001 -0.00010 -0.00006 0.00003 0.00001 -0.00001 0.00006 -0.00002 0.00003 -0.00004 0.00004 -0.00001 0.00000 -0.00002 -0.00002 0.00002 0.00002 -0.00004 0.00004 -0.00002 0.00008 0.00011 -0.00017 -0.00001 -0.00006 0.00007 -0.00003 -0.00009 0.00012 0.00002 0.00011 0.00001 -0.00001 -0.00006 -0.00008 -0.00001 0.00003 -0.00002 0.00001 0.00000 -0.00001 -0.00011 -0.00028 0.00035 0.00046 0.00051 0.00029 0.00040 0.00045 0.00111 0.00119 0.00116 0.00115 0.00123 0.00120 0.00004 0.00001 0.00006 0.00014 0.00011 0.00016 0.00013 0.00010 0.00015 0.00003 0.00012 0.00013 0.00004 0.00014 0.00015 -0.00006 0.00003 0.00004 -0.00012 -0.00015 -0.00010 -0.00016 -0.00019 -0.00015 -0.00008 -0.00011 -0.00007 -0.00007 -0.00004 -0.00004 -0.00007 -0.00004 -0.00004 -0.00013 -0.00010 -0.00010 0.00005 0.00007 0.00009 -0.00002 0.00000 0.00002 -0.00006 -0.00004 -0.00002 0.00132 0.00114 0.00110 0.00136 0.00118 0.00114 0.00125 0.00107 0.00103 0.00003 -0.00002 -0.00003 0.00002 -0.00003 -0.00003 0.00002 -0.00002 -0.00003 -0.00004 -0.00003 0.00000 -0.00008 -0.00006 -0.00004 -0.00011 -0.00009 -0.00007 0.00027 0.00008 0.00042 0.00024 0.00038 0.00020 0.00008 0.00010 0.00010 -0.00008 -0.00005 -0.00006 0.00006 0.00009 0.00009 0.00011 0.00001 -0.00012 0.00000 0.00008 0.00005 0.00002 -0.00002 -0.00002 0.00002 -0.00003 0.00001 0.00001 0.00000 0.00001 0.00002 -0.00006 -0.00003 0.00002 -0.00003 0.00001 0.00001 -0.00004 0.00002 0.00001 0.00001 0.00002 0.00013 -0.00006 -0.00010 0.00003 0.00002 0.00002 0.00003 0.00000 0.00020 -0.00032 -0.00012 -0.00003 -0.00003 0.00000 0.00003 0.00005 0.00000 -0.00005 0.00008 -0.00009 0.00004 0.00002 -0.00007 0.00001 0.00005 -0.00005 -0.00001 -0.00001 0.00002 -0.00001 -0.00008 0.00011 -0.00003 0.00003 0.00001 -0.00004 0.00002 -0.00002 -0.00002 0.00000 0.00003 -0.00001 -0.00003 -0.00003 0.00003 -0.00001 0.00004 0.00001 -0.00002 -0.00002 0.00001 0.00002 0.00002 -0.00001 -0.00005 0.00017 -0.00017 -0.00007 0.00012 0.00000 0.00013 -0.00007 -0.00007 -0.00002 0.00009 0.00002 0.00001 -0.00001 -0.00010 0.00005 -0.00003 -0.00008 0.00001 0.00006 -0.00001 -0.00004 -0.00043 0.00088 0.00088 0.00088 0.00139 0.00139 0.00139 0.00288 0.00295 0.00290 0.00232 0.00239 0.00233 -0.00016 -0.00018 -0.00017 -0.00012 -0.00014 -0.00013 -0.00016 -0.00018 -0.00016 0.00009 0.00010 0.00014 0.00007 0.00008 0.00013 0.00010 0.00011 0.00016 0.00059 0.00051 0.00052 0.00059 0.00051 0.00051 0.00058 0.00051 0.00051 0.00009 0.00009 0.00013 0.00004 0.00004 0.00008 0.00003 0.00003 0.00007 0.00006 0.00012 0.00011 0.00003 0.00009 0.00008 0.00003 0.00008 0.00007 0.00123 0.00110 0.00106 0.00135 0.00122 0.00118 0.00132 0.00119 0.00115 0.00001 0.00001 -0.00001 0.00000 -0.00001 -0.00003 0.00000 0.00000 -0.00002 -0.00008 -0.00005 -0.00006 -0.00014 -0.00011 -0.00012 -0.00011 -0.00008 -0.00009 0.00030 -0.00011 0.00030 -0.00011 0.00041 0.00000 0.00012 0.00016 0.00007 0.00002 0.00005 -0.00004 0.00014 0.00017 0.00008 2.64499 1.88426 2.36451 2.79366 2.78853 1.94490 2.93294 2.93361 2.92883 2.10235 2.92523 2.10037 2.09086 2.92257 2.09481 2.10012 2.96099 2.09554 2.09715 2.92276 2.09293 2.09749 2.92339 2.09749 2.09297 2.09283 2.09781 2.88223 2.08595 2.90859 2.11265 2.09463 2.08557 2.09161 2.08842 1.90657 2.04171 1.95087 1.98411 1.92398 1.96669 1.87802 1.91888 1.87479 1.89861 1.95457 1.89725 1.92448 1.90750 1.90721 1.87085 1.95995 1.91373 1.89870 1.92198 1.90459 1.86211 2.02972 1.89759 1.90902 1.87362 1.87803 1.86953 1.94910 1.91836 1.90250 1.92498 1.90463 1.86202 1.94061 1.90635 1.92101 1.90460 1.92599 1.86349 1.93615 1.92474 1.90607 1.92533 1.90521 1.86479 2.00701 1.86072 1.88567 1.90705 1.91045 1.88936 2.13082 1.96251 2.18971 1.92688 1.98216 1.88016 1.90282 1.91095 1.85873 1.92487 1.93813 1.93370 1.88495 1.90042 1.88031 0.00234 3.12661 1.17029 -2.99647 -0.96906 -1.16024 0.95619 2.98359 3.00893 -1.13102 0.92307 -0.95860 1.18464 -3.04446 0.94482 -1.16451 3.07254 3.09569 0.98636 -1.05978 -1.09459 3.07927 1.03313 -0.95300 -3.09568 1.15711 -3.13150 1.00901 -1.02139 1.08842 -1.05426 -3.08466 1.07123 -1.04489 -3.08093 -3.05824 1.10881 -0.92722 -1.00975 -3.12587 1.12128 -0.96321 -3.10556 1.14256 1.14016 -1.00219 -3.03725 -3.10080 1.04004 -0.99502 0.97128 -1.13162 3.11096 3.10930 1.00640 -1.03420 -1.13543 3.04486 1.00425 -3.12143 1.07075 -0.99544 -0.99262 -3.08362 1.13337 1.01451 -1.07650 3.14049 0.96220 3.10058 -1.13845 3.10077 -1.04404 1.00012 -1.14232 0.99605 3.04021 -0.96251 -3.10054 1.13865 1.14142 -0.99660 -3.04060 -3.09931 1.04584 -0.99815 2.29875 -0.86086 -1.80551 1.31807 0.27381 -2.88580 -1.01245 1.07646 -3.11785 3.08181 -1.11247 0.97641 1.05468 -3.13960 -1.05072 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000069 0.000010 0.009250 0.001926 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.521241e-07 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 1 1 2 3 3 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 13 13 13 14 14 14 12 35 12 11 13 29 5 6 7 15 8 16 17 9 18 19 11 20 21 10 22 23 10 24 25 26 27 12 28 14 30 31 32 33 34 1.3996 0.9971 1.2513 1.4783 1.4756 1.0292 1.552 1.5524 1.5499 1.1125 1.548 1.1115 1.1064 1.5466 1.1085 1.1113 1.5669 1.1089 1.1097 1.5467 1.1075 1.1099 1.547 1.1099 1.1075 1.1075 1.1101 1.5251 1.1039 1.5392 1.118 1.1084 1.1036 1.1068 1.1051 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 12 11 11 13 5 5 5 6 6 7 4 4 4 8 8 16 4 4 4 9 9 18 4 4 4 11 11 20 5 5 5 10 10 22 6 6 6 10 10 24 8 8 8 9 9 26 3 3 3 7 7 12 1 1 2 3 3 3 14 14 30 13 13 13 32 32 33 1 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 35 13 29 29 6 7 15 7 15 15 8 16 17 16 17 17 9 18 19 18 19 19 11 20 21 20 21 21 10 22 23 22 23 23 10 24 25 24 25 25 9 26 27 26 27 27 7 12 28 12 28 28 2 11 11 14 30 31 30 31 31 32 33 34 33 34 34 109.2272 117.0 111.7838 113.6826 110.2375 112.6829 107.6007 109.9409 107.4177 108.7849 111.9839 108.7097 110.2625 109.2903 109.2792 107.191 112.2941 109.6514 108.7881 110.1222 109.1241 106.6918 116.2991 108.7172 109.3803 107.3488 107.6027 107.1186 111.6745 109.9154 109.0062 110.2932 109.1253 106.6865 111.1908 109.2276 110.0644 109.1265 110.349 106.7698 110.9341 110.2805 109.209 110.3122 109.1591 106.8453 114.9957 106.6018 108.0508 109.2696 109.4535 108.2519 122.0799 112.4476 125.4647 110.4031 113.5645 107.7238 109.0229 109.4903 106.5032 110.2845 111.0479 110.7974 107.9989 108.8825 107.7342 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 35 35 13 13 13 29 29 29 11 11 11 29 29 29 6 6 6 7 7 7 15 15 15 5 5 5 7 7 7 15 15 15 5 5 5 6 6 6 15 15 15 4 4 4 16 16 16 17 17 17 4 4 4 18 18 18 19 19 19 4 4 4 20 20 20 21 21 21 5 5 5 22 22 22 23 23 23 6 6 6 24 24 24 25 25 25 3 3 7 7 28 28 3 3 3 30 30 30 31 31 1 1 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 13 13 13 13 13 13 13 13 12 12 11 11 11 11 11 11 13 13 13 13 13 13 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 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 14 14 14 14 14 14 14 14 2 11 7 12 28 7 12 28 14 30 31 14 30 31 8 16 17 8 16 17 8 16 17 9 18 19 9 18 19 9 18 19 11 20 21 11 20 21 11 20 21 10 22 23 10 22 23 10 22 23 10 24 25 10 24 25 10 24 25 3 12 28 3 12 28 3 12 28 9 26 27 9 26 27 9 26 27 8 26 27 8 26 27 8 26 27 1 2 1 2 1 2 32 33 34 32 33 34 32 33 0.136 179.1663 67.0024 -171.7353 -55.5737 -66.5565 54.7058 170.8673 172.2335 -64.9717 52.7222 -55.0568 67.738 -174.5681 54.1434 -66.7108 176.0531 177.3769 56.5226 -60.7135 -62.7064 176.4393 59.2033 -54.6077 -177.3748 66.2892 -179.4257 57.8072 -58.5288 62.3559 -60.4112 -176.7472 61.3434 -59.8974 -176.5537 -175.2582 63.5011 -53.1553 -57.8876 -179.1283 64.2153 -55.1931 -177.9408 65.4564 65.3242 -57.4234 -174.0262 -177.6643 59.588 -57.0147 55.6466 -64.8439 178.2388 178.1477 57.6573 -59.2601 -65.0567 174.4528 57.5354 -178.9153 61.2867 -57.0955 -56.9505 -176.7485 64.8693 58.051 -61.7469 179.8709 55.1294 177.6494 -65.2276 177.6612 -59.8189 57.3042 -65.4506 57.0694 174.1924 -55.1433 -177.6449 65.2433 65.4068 -57.0947 -174.2065 -177.5712 59.9273 -57.1845 131.6915 -49.3172 -103.4653 75.526 15.6646 -165.3441 -58.0163 61.6675 -178.6438 176.5738 -63.7424 55.9463 60.421 -179.8953 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 178.12319999999994 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2.827549 2.179236 4.807499 4.795154 6.959074 8.460251 2.632712 3.094311 2.484593 4.219109 4.069899 4.806659 4.975093 1.778910 0.000000 5.343646 5.770268 6.712114 2.852495 3.395825 2.180461 4.264523 2.827268 1.109934 2.179542 5.390124 5.360022 7.429897 8.882628 2.631308 4.081740 4.214221 2.504885 3.093914 4.795865 4.410388 3.837781 2.653357 0.000000 6.659656 6.894178 7.294216 3.529889 3.992031 2.189478 4.726172 3.512360 1.107549 2.193517 6.125294 6.461608 7.719034 9.157946 3.814729 4.231105 5.035393 2.526869 2.501804 4.887086 4.829749 4.358798 3.838599 1.779885 0.000000 6.495297 7.544374 7.883725 4.016771 3.520803 3.514731 5.495399 2.192288 2.192989 1.107471 6.513312 6.798886 8.299651 9.833941 4.198458 3.853006 4.349417 4.358416 3.840066 5.680839 6.031684 2.535912 2.501552 2.502526 2.538252 0.000000 6.373228 7.254793 6.975618 3.419144 2.841301 2.831125 4.622998 2.180447 2.180093 1.110105 5.761345 6.426943 7.122800 8.636420 4.059057 2.674097 3.843636 3.839347 2.655079 4.490494 5.248052 2.504656 3.092609 3.092414 2.504291 1.780832 0.000000 2.438500 3.308887 2.101270 2.883323 2.841578 4.326617 2.196783 4.287558 5.389367 5.364446 1.103867 2.144559 2.733389 4.100398 3.201441 3.053742 2.233025 4.802693 4.521835 2.529665 3.091581 4.713628 4.529094 5.621975 6.359361 6.338016 5.561838 0.000000 3.891629 2.589765 1.029171 4.306973 5.162792 5.286309 2.865766 6.611845 6.708238 7.280436 2.091396 2.589826 2.111046 2.700997 4.487617 5.313548 4.944652 5.140903 5.444792 3.192856 2.674120 7.306740 6.774629 6.871865 7.454219 8.316004 7.465634 2.974166 0.000000 5.298594 4.796322 2.178564 4.397273 4.837472 5.081482 2.979992 6.352228 6.542035 6.836743 2.893121 4.280579 1.117950 2.177325 5.135513 4.426650 4.847623 5.232537 4.708617 2.328762 3.240488 6.851452 6.918675 7.099828 7.148919 7.941523 6.630249 3.205324 2.581288 0.000000 4.702071 4.843542 2.098040 4.688112 4.675278 5.759909 3.488020 6.193785 7.050614 7.034143 2.708547 4.041196 1.108420 2.176291 5.312818 4.319844 4.307588 6.137168 5.523147 3.072500 4.117417 6.482519 6.700063 7.529747 7.836542 8.089590 6.891894 2.454224 2.990181 1.783934 0.000000 5.718577 5.174353 2.720835 6.565562 6.871763 7.645950 5.152648 8.401433 9.046082 9.261100 4.082491 4.863919 2.182885 1.103622 6.945566 6.701772 6.410343 7.743929 7.530760 4.993782 5.356061 8.786073 8.729350 9.375475 9.818583 10.320454 9.228094 4.223289 3.002790 3.098327 2.519359 0.000000 6.196659 5.092141 2.762583 6.358845 6.989359 7.150101 4.818653 8.525158 8.657695 9.120502 4.194710 5.038056 2.194979 1.106817 6.800285 6.785959 6.788613 7.043772 6.964802 4.581651 4.702310 9.072359 8.897968 9.029550 9.283041 10.212742 9.049332 4.696627 2.557365 2.552099 3.104469 1.788272 0.000000 6.769014 6.218232 3.438032 6.744407 7.016156 7.561882 5.306712 8.551815 9.006421 9.200785 4.686862 5.829785 2.190549 1.105149 7.367724 6.585123 6.773106 7.687920 7.192792 4.787441 5.512212 8.906473 9.079979 9.526010 9.640945 10.293649 8.964048 4.809759 3.732055 2.496629 2.526463 1.796879 1.786498 0.000000 0.997100 2.395485 4.241744 4.113092 4.456207 5.482105 4.158440 5.158681 6.065195 6.306153 3.296180 1.967806 5.571601 6.571560 3.354256 5.358323 3.795377 5.640625 6.274129 5.142499 4.458521 5.749347 4.600941 5.635156 7.102903 6.949701 7.034488 3.421263 4.462620 6.153605 5.609108 6.373908 6.830364 7.547556 0.000000 0.9946662 0.3320589 0.2931354 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= 180 180 180 180 180 MxSgAt= 35 MxSgA2= 35. 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 35 35 35 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 35 35 35 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 35 35 35 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 35 35 35 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 35 35 35 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 35 35 35 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 35 35 35 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 35 35 35 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 35 35 35 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 35 35 35 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 35 35 35 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= 8001 NPrTT= 39697 LenC2= 7373 LenP2D= 24270. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 182 RedAO= T EigKep= 1.41D-03 NBF= 182 NBsUse= 182 1.00D-06 EigRej= -1.00D+00 NBFU= 182 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= 179 179 179 179 179 MxSgAt= 35 MxSgA2= 35. 1 Closed 1 0 1 -635.738278215300 -635.877727256197 -0.139449040897 -636.039803169078 -0.162075912881 -635.135813301823 0.903989867254 -636.020627622663 -0.884814320839 -636.128736911397 -0.108109288734 -636.128996336386 -0.000259424989 -636.129191291349 -0.000194954963 -636.129206464384 -0.000015173036 -636.129170952151 0.000035512234 -636.129171050323 -0.000000098172 -636.129171151853 -0.000000101530 -636.129171262547 -0.000000110694 -636.129171282441 -0.000000019894 -636.129171282819 -0.000000000378 -636.129171282793 0.000000000026 -636.129171282832 -0.000000000039 -636.129171283 17 6.333065545245e+02 -3.392125363708e+03 1.167958157502e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=141853859. IVT= 120176 IEndB= 120176 NGot= 939524096 MDV= 800734390 LenX= 800734390 LenY= 800700825 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= 16653 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -4.53316405e-01 -3.37098431e-01 -6.37079889e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 8 8 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.007768035 0.023759523 -0.019157872 0.017787117 -0.022902347 0.064210695 -0.001811738 -0.005533933 -0.014791225 0.003362588 -0.005658553 0.002614573 0.001961105 0.006376787 -0.000122556 -0.001160666 0.003323412 0.004046462 -0.001926526 -0.004183302 0.001706916 -0.001763237 0.002934721 -0.007716595 -0.006367930 -0.004688711 0.004039504 -0.006618056 0.001712398 -0.001546907 0.007023986 0.003760986 0.001593517 -0.016232800 0.012386471 -0.054697638 0.001599535 0.011026772 0.004237948 0.004921558 0.001214403 -0.002914718 -0.000627360 -0.003629728 -0.002148971 -0.000216838 -0.003578277 0.000413809 -0.000616032 0.000929289 -0.001096661 0.001270572 0.000281273 0.001661654 0.000993078 -0.001696992 -0.002675883 -0.000583097 0.000406066 -0.003132469 0.001645917 0.002680056 0.001146864 -0.000486922 0.000278681 -0.001594251 0.000288217 0.000667054 0.001844012 0.000990537 0.001939675 0.000038545 -0.001394511 -0.000880218 0.000508700 -0.001458457 0.000603236 -0.000246136 0.001433051 -0.001902906 -0.000525666 0.006051889 -0.006306136 0.014044418 0.000780024 -0.001217197 0.004060523 -0.001355414 -0.002015557 -0.000315595 -0.000326948 -0.003639522 0.002314079 0.000898271 0.003805997 0.001171002 -0.002401563 -0.005400874 0.004521932 0.000918589 -0.002823061 -0.005295161 0.001190097 -0.002029486 0.003803151 0.064210695 0.010116407 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -636.137714942843 -636.138280246578 -0.000565303735 -636.138281943769 -0.000001697191 -636.138283205561 -0.000001261792 -636.138358931681 -0.000075726120 -636.138358912756 0.000000018924 -636.138359052849 -0.000000140093 -636.138359135707 -0.000000082858 -636.138359145528 -0.000000009821 -636.138359145750 -0.000000000223 -636.138359145765 -0.000000000015 -636.138359145764 0.000000000001 -636.138359146 12 6.328777728114e+02 -3.377991982166e+03 1.161160682045e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=141853859. IVT= 120176 IEndB= 120176 NGot= 939524096 MDV= 800734390 LenX= 800734390 LenY= 800700825 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= 16653 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 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 -18.813919 -18.767884 -13.979628 -10.036075 -9.942952 -9.920647 -9.897489 -9.894909 -9.886007 -9.885817 -9.885304 -9.884973 -9.884324 -9.882838 -1.018361 -0.937927 -0.826396 -0.751896 -0.709422 -0.674990 -0.661550 -0.637262 -0.600429 -0.552397 -0.543689 -0.535210 -0.511064 -0.489462 -0.462226 -0.429310 -0.416731 -0.413520 -0.404885 -0.401557 -0.383121 -0.382521 -0.375911 -0.370545 -0.351062 -0.341415 -0.331876 -0.324932 -0.319695 -0.317281 -0.314943 -0.302149 -0.298660 -0.292281 -0.285532 -0.275941 -0.267341 -0.256854 -0.250187 -0.234956 -0.166434 -0.051900 0.035098 0.074781 0.085967 0.097455 0.101638 0.102491 0.107350 0.109432 0.116146 0.120572 0.125658 0.131063 0.143752 0.149132 0.157618 0.163312 0.172458 0.173790 0.180224 0.183020 0.187793 0.191973 0.198859 0.200234 0.203681 0.211253 0.212663 0.219083 0.223552 0.227548 0.236392 0.239531 0.251811 0.265073 0.280077 0.284033 0.290852 0.297545 0.300717 0.307541 0.318027 0.322981 0.329191 0.335101 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2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 H 1S|2S|16 H 1S|2S|17 H 1S|2S|18 H 1S|2S|19 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S 1.13239 0.85933 0.95594 0.89041 1.23560 1.01637 1.18804 0.48608 0.23704 0.41485 1.13254 0.85915 0.97724 0.84960 1.04235 1.27557 1.05768 0.36826 0.45483 0.21867 1.15930 0.83103 0.82505 0.77886 1.00480 1.10339 0.94960 0.24536 0.31906 0.10347 1.17433 0.81411 0.72161 0.56044 0.85329 0.88258 0.87668 -0.02266 0.04523 0.04525 1.17429 0.81421 0.72145 0.63990 0.87782 0.91038 0.86943 0.11095 0.20454 0.13434 1.17431 0.81419 0.72153 0.64093 0.86206 0.87778 0.91302 0.06499 0.15685 0.22412 1.17432 0.81410 0.72228 0.66924 0.85817 0.87291 0.92163 0.07763 0.16438 0.21451 1.17430 0.81424 0.72248 0.63063 0.85453 0.88272 0.91487 0.06679 0.15362 0.19339 1.17430 0.81424 0.72244 0.62834 0.87127 0.90642 0.87472 0.11276 0.17798 0.12079 1.17431 0.81428 0.72375 0.62128 0.89584 0.88478 0.87039 0.15145 0.13575 0.11144 1.17433 0.81404 0.73111 0.59557 0.82174 0.86240 0.92052 -0.00031 0.06076 0.17608 1.17472 0.81377 0.81265 0.26480 0.70891 0.82526 0.87379 0.17817 0.10254 0.09744 1.17433 0.81434 0.73293 0.60743 0.88823 0.87703 0.86021 0.08607 0.14773 0.14407 1.17425 0.81434 0.72541 0.68541 0.86410 0.92571 0.91603 0.13225 0.22382 0.22479 0.51666 0.27286 0.51304 0.29856 0.51643 0.26288 0.51505 0.28423 0.51281 0.29784 0.51346 0.26876 0.51124 0.28020 0.51503 0.28765 0.51325 0.29389 0.51347 0.29346 0.51507 0.28804 0.51536 0.28540 0.51337 0.29951 0.51485 0.23121 0.49987 0.23273 0.51523 0.30049 0.51602 0.27593 0.50873 0.25793 0.51032 0.28367 0.50989 0.28097 0.47286 0.15198 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 O O N C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H -0.416059 -0.235892 -0.319927 0.049148 -0.457309 -0.449783 -0.489147 -0.407573 -0.403269 -0.383263 -0.156254 0.147959 -0.332364 -0.686108 0.210478 0.188397 0.220691 0.200717 0.189353 0.217781 0.208567 0.197324 0.192859 0.193075 0.196887 0.199238 0.187122 0.253947 0.267407 0.184283 0.208048 0.233345 0.206012 0.209147 0.375162 0.00000 -4.91144697e-01 -2.76001044e-01 -4.61286422e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.2484 -0.7015 -1.1725 1.8507 -90.1299 -81.1127 -91.2934 -4.7257 -4.1299 1.8850 -2.6179 6.3993 -3.7814 -4.7257 -4.1299 1.8850 -5.6992 21.9682 -24.2917 4.7386 -18.2096 -8.8523 -8.1458 -7.7869 14.1973 -4.3635 -3917.6630 -746.7394 -692.3761 32.2485 -70.4296 105.7191 -21.5157 -93.5566 -120.4994 -785.3547 -765.3769 -233.5898 -42.6745 -14.5296 4.6238 0 -636.1383591 2.892E-9 1.573E-5 -1.9463441,4.7577561,-2.811412,-3.5134423,-3.0704803,1.4014826 C01 [X(C11H21N1O2)] -0.4911447 -0.276001 -0.4612864 @ -0.000014677 0.000027648 -0.000023170 -0.000023293 -0.000007499 -0.000070640 -0.000012128 0.000007698 -0.000016356 0.000024637 -0.000015690 0.000000919 -0.000021406 0.000005148 -0.000004831 -0.000005777 0.000021722 -0.000003274 -0.000017568 -0.000002011 -0.000013452 0.000001745 -0.000013741 -0.000000027 -0.000005941 -0.000004323 -0.000006609 0.000010293 -0.000000422 0.000013200 0.000013493 -0.000034455 -0.000015863 0.000048347 0.000009726 0.000085481 0.000009211 0.000004755 0.000020640 -0.000009075 0.000009790 -0.000011097 0.000003180 0.000005799 0.000003695 0.000003437 -0.000014129 0.000004175 -0.000009793 0.000001544 -0.000003100 0.000002790 0.000004892 0.000007333 0.000003022 -0.000005267 0.000001256 0.000014557 0.000003697 0.000013154 -0.000002671 0.000001360 0.000010467 0.000000126 -0.000004766 -0.000007469 0.000002118 0.000003478 -0.000002581 0.000002599 0.000009675 0.000002882 -0.000001117 0.000001206 0.000007849 -0.000003810 0.000000123 -0.000001922 -0.000000345 -0.000007424 -0.000002078 0.000012317 -0.000008403 0.000008741 0.000003544 0.000008864 0.000011708 -0.000011672 -0.000006848 -0.000014126 0.000003556 -0.000006216 -0.000006823 0.000001683 0.000003873 0.000006074 -0.000002702 -0.000003768 0.000012115 -0.000010236 -0.000011363 0.000003933 -0.000008446 0.000015326 -0.000010206 178.12319999999994 AuxInfo=1/0/N:14,13,10,8,9,5,6,7,4,11,12,3,1,2/E:(4,5)(6,7)/CRV:11.3,14.1/rA:35OO1NCCCCCCCCC3CCHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s4;s5;s6;s8s9;s3s7;s1s2s11;s3;s13;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s3;s13;s13;s14;s14;s14;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2032 CBGUSER 000224405 EM64L-G09RevD.01 2-Dec-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 99 C1[X(C11H21NO2)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 178.12319999999994 0 1 AuxInfo=1/0/N:14,13,10,8,9,5,6,7,4,11,12,3,1,2/E:(4,5)(6,7)/CRV:11.3,14.1/rA:35OO1NCCCCCCCCC3CCHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s4;s5;s6;s8s9;s3s7;s1s2s11;s3;s13;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s3;s13;s13;s14;s14;s14;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-32144.inp" -scrdir="/scratch/" chk=000224405-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 000224405 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 16 16 14 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000454 0.000096 0.069682 0.029186 0.000450 0.000300 0.001800 0.001200 NO YES NO NO -2.825518e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 947.8151707290 182 420 182 55 55 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 35 35 35 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 0 178.12319999999994 AuxInfo=1/0/N:14,13,10,8,9,5,6,7,4,11,12,3,1,2/E:(4,5)(6,7)/CRV:11.3,14.1/rA:35OO1NCCCCCCCCC3CCHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s4;s5;s6;s8s9;s3s7;s1s2s11;s3;s13;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s3;s13;s13;s14;s14;s14;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.320550 0.000000 3.504035 2.882908 0.000000 3.426447 3.851764 3.966496 0.000000 3.664972 4.835382 4.544230 1.552033 0.000000 4.899952 4.973813 5.106728 1.552410 2.546695 0.000000 3.375114 3.183736 2.568724 1.549881 2.581895 2.540330 0.000000 4.563123 5.915642 6.044662 2.569786 1.547980 2.975499 3.956625 0.000000 5.602734 6.027179 6.478462 2.573602 2.985857 1.546558 3.931468 2.548576 0.000000 5.753849 6.697063 6.840834 3.011109 2.560659 2.552404 4.438516 1.546674 1.547009 0.000000 2.432096 2.471104 1.478342 2.647511 3.189837 3.985159 1.566916 4.636552 5.216444 5.508088 0.000000 1.399608 1.251308 2.408308 3.111562 3.808532 4.475790 2.521623 4.973829 5.500539 5.921737 1.525139 0.000000 4.739258 4.344855 1.475584 4.614644 4.960522 5.576993 3.191315 6.508403 6.991088 7.215520 2.518636 3.787491 0.000000 5.846417 5.164446 2.475911 6.096305 6.492609 7.013295 4.618621 8.040445 8.467322 8.746933 3.844774 4.850782 1.539214 0.000000 2.877140 3.352326 4.259956 1.112504 2.165798 2.163697 2.179510 2.807058 2.806471 3.374169 2.877825 2.751110 5.189722 6.599760 0.000000 4.482023 5.498335 4.622479 2.179644 1.111465 2.828090 2.788120 2.183658 3.402509 2.844221 3.485591 4.455326 4.697947 6.222608 3.082364 0.000000 2.950939 4.521890 4.215791 2.195997 1.106427 3.511030 2.843530 2.179773 3.985436 3.511298 2.859595 3.358548 4.722337 6.199142 2.496999 1.785066 0.000000 5.172006 4.759944 5.180956 2.190036 3.508490 1.108525 2.759163 3.983478 2.190948 3.514372 4.218872 4.542378 5.757361 7.079250 2.494355 3.835779 4.355497 0.000000 5.580099 5.630125 5.204034 2.180897 2.825619 1.111326 2.752718 3.386155 2.180149 2.829447 4.258309 5.064575 5.375802 6.791901 3.081611 2.652824 3.840924 1.780885 0.000000 4.283107 4.157524 2.780385 2.175986 2.813587 2.791978 1.108929 4.231491 4.220370 4.577309 2.172835 3.464145 2.845508 4.300233 3.090335 2.561648 3.189654 3.134932 2.541827 0.000000 3.849496 2.950501 2.793014 2.185219 3.531689 2.717365 1.109750 4.749106 4.179660 5.013731 2.176809 2.745526 3.537576 4.761636 2.535334 3.785749 3.862401 2.468587 3.010612 1.784864 0.000000 5.126659 6.727753 6.628161 3.525911 2.188798 3.981121 4.763091 1.107526 3.511987 2.192492 5.268785 5.685698 6.961368 8.476000 3.815917 2.502732 2.514084 5.031819 4.212650 4.904832 5.659871 0.000000 4.190217 5.649563 6.277393 2.849591 2.178833 3.388898 4.289362 1.109938 2.827548 2.179236 4.807499 4.795154 6.959073 8.460251 2.632712 3.094311 2.484593 4.219108 4.069898 4.806659 4.975092 1.778910 0.000000 5.343646 5.770268 6.712114 2.852495 3.395824 2.180460 4.264523 2.827269 1.109934 2.179542 5.390124 5.360022 7.429897 8.882628 2.631309 4.081740 4.214221 2.504885 3.093914 4.795865 4.410388 3.837781 2.653357 0.000000 6.659656 6.894178 7.294216 3.529889 3.992031 2.189477 4.726171 3.512361 1.107549 2.193517 6.125294 6.461608 7.719034 9.157946 3.814729 4.231105 5.035393 2.526869 2.501804 4.887086 4.829749 4.358798 3.838599 1.779885 0.000000 6.495298 7.544374 7.883726 4.016771 3.520803 3.514731 5.495399 2.192288 2.192989 1.107471 6.513312 6.798886 8.299651 9.833941 4.198459 3.853007 4.349417 4.358417 3.840066 5.680840 6.031685 2.535911 2.501552 2.502525 2.538253 0.000000 6.373228 7.254792 6.975618 3.419144 2.841301 2.831124 4.622997 2.180447 2.180093 1.110104 5.761345 6.426942 7.122799 8.636420 4.059057 2.674097 3.843635 3.839347 2.655078 4.490494 5.248051 2.504656 3.092608 3.092413 2.504292 1.780832 0.000000 2.438500 3.308888 2.101270 2.883323 2.841578 4.326617 2.196782 4.287558 5.389367 5.364446 1.103867 2.144559 2.733389 4.100398 3.201441 3.053742 2.233025 4.802694 4.521835 2.529665 3.091581 4.713629 4.529094 5.621975 6.359361 6.338016 5.561838 0.000000 3.891628 2.589765 1.029171 4.306972 5.162792 5.286309 2.865766 6.611845 6.708237 7.280436 2.091395 2.589826 2.111046 2.700998 4.487617 5.313547 4.944651 5.140903 5.444792 3.192856 2.674120 7.306741 6.774629 6.871865 7.454218 8.316005 7.465634 2.974165 0.000000 5.298594 4.796322 2.178565 4.397273 4.837471 5.081482 2.979992 6.352227 6.542034 6.836743 2.893122 4.280579 1.117951 2.177326 5.135512 4.426649 4.847623 5.232537 4.708616 2.328762 3.240488 6.851452 6.918675 7.099828 7.148918 7.941523 6.630248 3.205324 2.581289 0.000000 4.702070 4.843543 2.098040 4.688112 4.675277 5.759908 3.488019 6.193784 7.050614 7.034143 2.708546 4.041196 1.108420 2.176291 5.312818 4.319843 4.307587 6.137168 5.523146 3.072499 4.117416 6.482519 6.700063 7.529747 7.836542 8.089590 6.891893 2.454223 2.990181 1.783934 0.000000 5.718576 5.174353 2.720834 6.565561 6.871763 7.645950 5.152648 8.401433 9.046082 9.261100 4.082490 4.863918 2.182884 1.103622 6.945565 6.701772 6.410343 7.743929 7.530760 4.993781 5.356060 8.786073 8.729349 9.375475 9.818582 10.320454 9.228093 4.223288 3.002790 3.098328 2.519359 0.000000 6.196658 5.092142 2.762584 6.358845 6.989359 7.150101 4.818654 8.525158 8.657694 9.120502 4.194710 5.038056 2.194980 1.106818 6.800285 6.785959 6.788613 7.043772 6.964802 4.581651 4.702310 9.072360 8.897968 9.029550 9.283040 10.212742 9.049332 4.696627 2.557366 2.552099 3.104469 1.788273 0.000000 6.769013 6.218232 3.438031 6.744407 7.016156 7.561882 5.306712 8.551814 9.006420 9.200785 4.686861 5.829785 2.190548 1.105148 7.367724 6.585122 6.773105 7.687921 7.192792 4.787440 5.512212 8.906473 9.079979 9.526010 9.640945 10.293649 8.964048 4.809758 3.732055 2.496630 2.526463 1.796879 1.786499 0.000000 0.997100 2.395485 4.241743 4.113092 4.456207 5.482105 4.158439 5.158681 6.065195 6.306153 3.296179 1.967806 5.571601 6.571560 3.354255 5.358323 3.795377 5.640625 6.274129 5.142499 4.458521 5.749347 4.600941 5.635156 7.102903 6.949701 7.034487 3.421263 4.462620 6.153605 5.609107 6.373907 6.830364 7.547556 0.000000 C11H21NO2 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 0 178.12319999999994 AuxInfo=1/0/N:14,13,10,8,9,5,6,7,4,11,12,3,1,2/E:(4,5)(6,7)/CRV:11.3,14.1/rA:35OO1NCCCCCCCCC3CCHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s4;s5;s6;s8s9;s3s7;s1s2s11;s3;s13;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s3;s13;s13;s14;s14;s14;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.9946662 0.3320589 0.2931354 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= 8001 NPrTT= 39697 LenC2= 7373 LenP2D= 24270. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 182 RedAO= T EigKep= 1.41D-03 NBF= 182 NBsUse= 182 1.00D-06 EigRej= -1.00D+00 NBFU= 182 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= 179 179 179 179 179 MxSgAt= 35 MxSgA2= 35. 1 Closed 1 0 1 -635.752889087513 -635.885343142206 -0.132454054694 -635.999273156805 -0.113930014599 -634.911923221532 1.087349935273 -636.014230639482 -1.102307417949 -636.135436725521 -0.121206086040 -636.137751282116 -0.002314556595 -636.138258148297 -0.000506866181 -636.138292479362 -0.000034331065 -636.138315827002 -0.000023347639 -636.138313341907 0.000002485094 -636.138316203484 -0.000002861577 -636.138316273564 -0.000000070080 -636.138316286068 -0.000000012504 -636.138316287411 -0.000000001343 -636.138316287448 -0.000000000037 -636.138316287455 -0.000000000006 -636.138316287 17 6.328779803403e+02 -3.377992351329e+03 1.161160883972e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=141854167. IVT= 120484 IEndB= 120484 NGot= 939524096 MDV= 800734082 LenX= 800734082 LenY= 800700517 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= 16653 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= 35. Will process 36 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111 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= 939523560 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=141743863. 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= 16653 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 108 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 105 vectors produced by pass 0 Test12= 6.99D-15 1.00D-09 XBig12= 1.21D+02 4.37D+00. AX will form 105 AO Fock derivatives at one time. 105 vectors produced by pass 1 Test12= 6.99D-15 1.00D-09 XBig12= 1.90D+01 1.72D+00. 105 vectors produced by pass 2 Test12= 6.99D-15 1.00D-09 XBig12= 4.27D-02 2.63D-02. 105 vectors produced by pass 3 Test12= 6.99D-15 1.00D-09 XBig12= 9.57D-06 2.65D-04. 46 vectors produced by pass 4 Test12= 6.99D-15 1.00D-09 XBig12= 5.34D-10 2.58D-06. 3 vectors produced by pass 5 Test12= 6.99D-15 1.00D-09 XBig12= 3.45D-14 2.18D-08. InvSVY: IOpt=1 It= 1 EMax= 2.49D-14 Solved reduced A of dimension 469 with 108 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 129.63 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 148.933 -5.437 123.521 4.374 -0.213 116.439 196.696 -4.858 204.485 16.771 5.454 210.366 (Enter /mnt/data/applications/G09/g09/l716.exe) PT1942.700S Sat Dec 2 12:37:16 2017 -18.81393 -18.76789 -13.97961 -10.03607 -9.94295 -9.92065 -9.89748 -9.89491 -9.88600 -9.88581 -9.88530 -9.88496 -9.88431 -9.88284 -1.01836 -0.93793 -0.82639 -0.75189 -0.70942 -0.67499 -0.66155 -0.63726 -0.60043 -0.55240 -0.54369 -0.53521 -0.51106 -0.48946 -0.46222 -0.42931 -0.41672 -0.41352 -0.40488 -0.40156 -0.38312 -0.38252 -0.37591 -0.37054 -0.35106 -0.34141 -0.33188 -0.32494 -0.31969 -0.31728 -0.31494 -0.30215 -0.29866 -0.29228 -0.28553 -0.27594 -0.26734 -0.25685 -0.25018 -0.23496 -0.16642 -0.05190 0.03509 0.07479 0.08597 0.09746 0.10164 0.10250 0.10735 0.10944 0.11615 0.12057 0.12565 0.13107 0.14375 0.14913 0.15762 0.16331 0.17246 0.17379 0.18022 0.18302 0.18780 0.19198 0.19886 0.20024 0.20368 0.21126 0.21267 0.21909 0.22355 0.22755 0.23640 0.23954 0.25182 0.26508 0.28008 0.28405 0.29085 0.29755 0.30072 0.30756 0.31804 0.32298 0.32921 0.33510 0.34261 0.35857 0.37214 0.37481 0.37754 0.40246 0.41370 0.43286 0.43528 0.44314 0.46409 0.47385 0.47706 0.48783 0.49089 0.51667 0.52179 0.53115 0.53815 0.55110 0.57289 0.59557 0.62595 0.67309 0.69580 0.70438 0.73626 0.74685 0.76815 0.78677 0.81585 0.82258 0.84376 0.85623 0.86397 0.89904 0.91116 0.94499 0.95570 0.96366 0.99032 1.00299 1.01269 1.02571 1.04622 1.06664 1.07585 1.07954 1.08203 1.11561 1.11659 1.12372 1.14643 1.16063 1.17352 1.19089 1.20261 1.23438 1.24281 1.26910 1.29175 1.32158 1.40743 1.45195 1.50249 1.56606 1.65095 1.74462 22.40854 22.48498 22.53588 22.58395 22.61197 22.62763 22.64458 22.67436 22.67992 22.69661 22.70667 31.53903 41.45926 41.54344 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 O O N C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H -0.416066 -0.235867 -0.320011 0.049287 -0.457205 -0.450013 -0.489317 -0.407662 -0.403243 -0.383098 -0.155993 0.147901 -0.332411 -0.686094 0.210471 0.188346 0.220660 0.200759 0.189379 0.217830 0.208597 0.197347 0.192861 0.193053 0.196875 0.199198 0.187077 0.253893 0.267412 0.184318 0.208054 0.233341 0.206019 0.209143 0.375162 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 O O N C C C C C C C C C C C -0.040904 -0.235867 -0.052599 0.259758 -0.048198 -0.059875 -0.062891 -0.017455 -0.013315 0.003176 0.097900 0.147901 0.059961 -0.037591 0.00000 -4.94262181e-01 -4.80399070e-01 -2.34371621e-01 1.48932638e+02 -5.43702420e+00 1.23520997e+02 4.37367626e+00 -2.12712411e-01 1.16439291e+02 -25.2492 -2.9784 0.0005 0.0007 0.0008 5.8163 22.3235 34.4627 48.4512 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 12.9430 34.2450 48.2954 63.7412 76.6099 103.1830 124.6382 148.7472 217.2058 237.4370 241.8970 259.7105 300.5603 310.2211 317.6868 380.6479 423.2574 431.3557 438.7930 502.0688 575.4073 596.9565 599.7446 641.8518 723.8063 768.8252 783.5863 792.6365 810.9154 841.7788 860.4766 888.8060 908.5407 911.7946 960.2291 965.5419 1003.9173 1032.3709 1049.4124 1053.7591 1061.6828 1076.2489 1091.5302 1106.2357 1112.4371 1122.3930 1151.1402 1157.8937 1184.9017 1198.1632 1240.0741 1247.8778 1257.0136 1261.3275 1269.4998 1280.2751 1304.2218 1314.8151 1323.8858 1334.4404 1337.5426 1341.1141 1343.5686 1353.2145 1363.1289 1379.7075 1390.5244 1451.0709 1453.5553 1459.5150 1461.3647 1463.5212 1467.7108 1473.5542 1475.4211 1481.4119 1497.5376 1661.9209 2873.3021 2939.5032 2949.6207 2956.5252 2963.0653 2964.5082 2965.1395 2966.0621 2981.2965 2995.8130 3014.4013 3022.1441 3025.0644 3027.0149 3033.0116 3041.1877 3051.0042 3073.2171 3095.0791 3450.2727 3492.2140 3.1863 5.5445 3.5726 2.7146 2.2378 4.5325 2.9763 3.3936 1.7918 2.2999 1.8620 1.9099 3.1002 2.5903 2.4604 3.0652 2.2272 2.5555 3.3819 2.0477 2.0747 1.4989 3.6040 1.2542 4.0648 2.5354 1.5164 2.1118 1.1181 2.0941 2.0670 1.6806 1.7059 1.7865 2.3575 1.7002 4.1453 3.0556 1.9193 1.2817 1.7154 1.5726 2.4997 1.9202 2.3797 1.5659 1.7288 3.1538 1.7627 1.5075 1.5008 1.2381 1.2745 1.2134 1.3418 1.2196 1.2566 1.2721 1.3413 1.3498 1.5112 1.5458 1.4263 1.4074 1.4773 1.5470 1.2548 1.0901 1.1904 1.0875 1.0901 1.0894 1.0808 1.0740 1.0956 1.0587 1.0863 8.1255 1.0705 1.0791 1.0630 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