Gaussian 09 GINC-KIMIK2070 CBGUSER 000226516 EM64L-G09RevD.01 9-Jan-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 324.1996999999998 0 1 AuxInfo=1/0/N:25,23,22,16,17,12,19,20,15,11,9,24,10,7,18,8,14,13,21,6,4,5,2,1,3/E:(4,5)(7,8)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.1,22.1/rA:43OOOOO1O1C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CCC3CHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7;;s8s10;s7;s1s9;s2s13;s12s14;s10;s10;s3;s16s18;s17s18;s4s5s8;s1;s2;s3s6;s24;s9;s11;s12;s15;s16;s17;s19;s20;s22;s22;s22;s23;s23;s23;s4;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-7120.inp" -scrdir="/scratch/" chk=000226516.chk nprocshared=4 mem=3800MB #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 000226516 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 16 16 16 16 16 16 12 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 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 1 2 2 3 3 4 4 5 6 7 7 7 8 8 9 9 10 10 10 11 12 12 13 14 15 16 16 17 17 18 18 19 20 22 22 22 23 23 23 24 25 25 25 13 22 14 23 18 24 21 40 21 24 8 9 12 11 21 13 26 11 16 17 27 15 28 14 15 29 19 30 20 31 19 20 32 33 34 35 36 37 38 39 25 41 42 43 1.3624 1.4262 1.3623 1.4262 1.3608 1.4047 1.3545 0.981 1.2216 1.2239 1.4748 1.3849 1.3848 1.3574 1.4913 1.3948 1.0873 1.4544 1.3947 1.3949 1.0885 1.3947 1.0868 1.3948 1.395 1.0867 1.3949 1.0875 1.3949 1.0874 1.395 1.3948 1.0866 1.0866 1.0945 1.0947 1.0934 1.0946 1.0946 1.0934 1.4999 1.0927 1.0936 1.0927 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 13 14 18 21 8 8 9 7 7 11 7 7 13 11 11 16 8 8 10 7 7 15 1 1 9 2 2 13 12 12 14 10 10 19 10 10 20 3 3 19 16 16 18 17 17 18 4 4 5 1 1 1 34 34 35 2 2 2 37 37 38 3 3 6 24 24 24 41 41 42 1 2 3 4 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 25 25 25 25 25 25 22 23 24 40 9 12 12 11 21 21 13 26 26 16 17 17 10 27 27 15 28 28 9 14 14 13 15 15 14 29 29 19 30 30 20 31 31 19 20 20 18 32 32 18 33 33 5 8 8 34 35 36 35 36 36 37 38 39 38 39 39 6 25 25 41 42 43 42 43 43 117.0306 117.0296 114.1283 111.9653 119.2715 119.2745 121.454 121.8519 121.4517 116.6955 119.2688 121.0237 119.7075 120.0139 119.9842 120.0019 125.9793 119.5545 114.4661 119.2804 121.3999 119.3197 119.4577 120.5406 120.0016 120.5603 119.4349 120.0048 119.9905 119.6097 120.3998 120.0008 120.8774 119.1218 120.0002 120.8766 119.1232 119.9875 120.0161 119.9964 120.001 119.6262 120.3728 119.9997 119.6316 120.3687 123.5977 110.7398 125.6616 110.6183 110.4964 108.2625 110.0943 108.6453 108.6606 110.6245 110.5056 108.2564 110.0911 108.6443 108.6551 125.7433 110.0411 124.2155 109.728 109.3838 109.7265 108.6408 110.6666 108.6658 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 22 22 13 13 13 23 23 14 14 14 24 24 18 18 40 40 9 9 12 12 8 8 12 12 8 8 9 9 7 7 21 21 7 7 11 11 7 7 26 26 16 16 17 17 11 11 17 17 11 11 16 16 7 7 28 28 1 1 9 9 2 2 13 13 10 10 30 30 10 10 31 31 3 3 20 20 3 3 19 19 3 3 3 6 6 6 1 1 1 1 1 2 2 2 2 2 3 3 3 3 4 4 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 13 13 13 13 14 14 14 14 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 24 24 24 24 24 24 13 13 22 22 22 14 14 23 23 23 18 18 24 24 21 21 8 8 8 8 9 9 9 9 12 12 12 12 11 11 11 11 21 21 21 21 13 13 13 13 11 11 11 11 16 16 16 16 17 17 17 17 15 15 15 15 14 14 14 14 15 15 15 15 19 19 19 19 20 20 20 20 19 19 19 19 20 20 20 20 25 25 25 25 25 25 9 14 34 35 36 13 15 37 38 39 19 20 6 25 5 8 11 21 11 21 13 26 13 26 15 28 15 28 10 27 10 27 4 5 4 5 1 14 1 14 8 27 8 27 19 30 19 30 20 31 20 31 14 29 14 29 2 15 2 15 12 29 12 29 18 32 18 32 18 33 18 33 16 32 16 32 17 33 17 33 41 42 43 41 42 43 90.0135 -89.9967 60.7696 -61.4071 179.7075 -89.996 90.0247 60.653 -61.53 179.5896 90.0055 -90.0122 -0.1152 179.9924 -0.1482 -179.8272 89.9922 -90.3675 -89.9913 89.649 -179.9991 -0.0335 -0.0159 179.9497 179.9954 -0.0618 0.0122 179.9551 179.997 -0.1135 0.3405 -179.77 29.669 -150.0019 -150.673 29.6561 -179.9971 0.0129 0.0368 -179.9531 -90.7491 89.3565 89.2824 -90.612 -179.9651 -0.0195 0.0034 179.949 179.9752 -0.017 0.0067 -179.9855 -0.0055 179.9386 -179.9495 -0.0055 0.0245 -179.9964 -179.9857 -0.0066 179.9822 0.0386 0.0028 -179.9408 -0.0101 179.9573 -179.9567 0.0107 -0.0101 -179.9708 179.9823 0.0215 179.989 0.0219 0.0067 -179.9604 -179.9789 -0.0185 0.0034 179.9638 -60.5907 -179.6779 61.2053 119.5149 0.4277 -118.6891 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 210 258 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 43 43 43 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= 17391 NPrTT= 89832 LenC2= 13431 LenP2D= 41791. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 286 RedAO= T EigKep= 4.44D-04 NBF= 286 NBsUse= 286 1.00D-06 EigRej= -1.00D+00 NBFU= 286 Using GEDIIS/GDIIS optimizer. local minimum Step number 28 out of a maximum of 210 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00059 0.00149 0.00693 0.00908 0.01112 0.01339 0.01430 0.01615 0.01677 0.01793 0.01916 0.02032 0.02107 0.02147 0.02150 0.02157 0.02160 0.02164 0.02168 0.02175 0.02185 0.02206 0.02212 0.02229 0.02261 0.02289 0.02304 0.02325 0.02437 0.02721 0.03252 0.03533 0.04638 0.06028 0.07293 0.07421 0.10155 0.10200 0.10770 0.10809 0.13176 0.15257 0.15877 0.15905 0.15983 0.15991 0.15999 0.16001 0.16006 0.16012 0.16023 0.16039 0.16056 0.16090 0.16117 0.16208 0.16478 0.16830 0.19909 0.21961 0.22284 0.22528 0.23049 0.23484 0.23723 0.24515 0.24632 0.24652 0.24920 0.24977 0.25047 0.25162 0.25215 0.25667 0.27388 0.28807 0.30794 0.32466 0.34263 0.34284 0.34326 0.34378 0.34424 0.34444 0.34460 0.34472 0.34503 0.34833 0.34982 0.35029 0.35104 0.35115 0.35141 0.35191 0.35210 0.35332 0.37085 0.37592 0.39780 0.41797 0.42019 0.42322 0.43270 0.43847 0.45119 0.46088 0.46283 0.46498 0.46651 0.46933 0.47515 0.47871 0.49022 0.50000 0.51015 0.51616 0.52560 0.53586 0.54110 0.59483 0.91791 0.94029 1.40518 RFO step: Lambda=-1.27959439D-07. 1 2 3 0.00226243 0.00000260 0.00000000 0.00000196 0.00000005 0.00000005 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 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 2.67806 2.80105 2.66945 2.80266 2.69271 2.67783 2.65999 1.88227 2.38206 2.35526 2.83607 2.68243 2.68705 2.62621 2.80764 2.65818 2.06677 2.77569 2.70384 2.70531 2.08043 2.66472 2.07002 2.69521 2.66578 2.06853 2.65250 2.06149 2.65804 2.07337 2.67287 2.67671 2.06776 2.05931 2.08870 2.09078 2.07995 2.08697 2.09085 2.07974 2.85630 2.08553 2.07720 2.08596 1.99136 2.00695 2.18861 1.87802 2.11713 2.10431 2.06128 2.04970 2.05832 2.17498 2.11590 2.11427 2.05299 2.22710 2.01085 2.04521 2.40318 1.94601 1.93342 2.11111 2.08747 2.08431 2.06236 2.12424 2.09604 2.13837 2.06608 2.07724 2.10351 2.11684 2.06283 2.10445 2.08190 2.09662 2.14603 2.07519 2.06193 1.97766 2.19807 2.10742 2.10396 2.10811 2.07107 2.05915 2.11367 2.11036 2.08098 1.95975 2.24240 1.93720 1.92072 1.84038 1.91553 1.92943 1.91949 1.93753 1.91803 1.83843 1.91716 1.93293 1.91849 2.17560 1.89593 2.21165 1.92292 1.91237 1.92132 1.91861 1.87149 1.91682 2.00766 -1.16969 1.02821 -1.09573 3.11808 -1.08852 2.11251 0.98446 -1.13995 3.07752 3.13164 -0.00205 0.00337 -3.13709 0.00591 -3.12531 2.34527 -0.81613 -0.76277 2.35902 -3.08858 0.06052 0.02026 -3.11383 3.07500 -0.09271 -0.03409 3.08139 3.06316 -0.03711 -0.05717 3.12575 -0.32416 2.82899 2.79607 -0.33396 3.12841 0.02198 -0.02043 -3.12686 0.16373 -3.01898 -2.98597 0.11451 -3.13347 0.03055 0.01637 -3.10280 3.13091 -0.00159 -0.01790 3.13278 0.00546 -3.13864 -3.11006 0.02902 0.04562 3.12741 -3.13241 -0.05062 3.12134 -0.01781 0.03706 -3.10210 -0.00509 -3.13677 3.11389 -0.01779 0.00755 -3.13643 3.14012 -0.00387 -3.14002 -0.00814 -0.00588 3.12601 3.13782 -0.00138 0.00468 -3.13452 -1.01379 -3.12678 1.04666 2.12896 0.01597 -2.09378 0.00001 -0.00005 0.00001 -0.00009 0.00008 0.00001 0.00002 0.00000 0.00005 -0.00003 0.00002 0.00000 0.00000 -0.00004 -0.00005 0.00000 -0.00001 0.00000 -0.00004 -0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00002 0.00000 0.00001 0.00000 -0.00002 -0.00003 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00004 -0.00010 -0.00001 0.00003 -0.00003 0.00001 0.00004 0.00008 -0.00011 -0.00001 0.00000 0.00002 -0.00006 0.00003 0.00002 -0.00013 0.00007 0.00006 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00002 -0.00002 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00002 -0.00001 -0.00001 0.00000 0.00001 0.00003 -0.00005 0.00002 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00004 -0.00005 0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00001 0.00002 0.00001 0.00001 -0.00002 -0.00001 -0.00001 -0.00002 0.00002 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00002 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00015 -0.00001 -0.00025 0.00011 -0.00004 -0.00004 0.00001 0.00008 0.00002 0.00016 0.00000 -0.00006 -0.00007 -0.00013 -0.00002 0.00001 0.00007 -0.00003 -0.00009 -0.00002 0.00002 -0.00002 -0.00002 -0.00002 -0.00001 0.00003 0.00000 0.00002 -0.00001 0.00000 -0.00003 -0.00001 0.00000 0.00001 0.00001 0.00001 0.00002 0.00003 0.00000 -0.00001 0.00005 -0.00001 -0.00005 0.00003 0.00013 -0.00003 -0.00004 -0.00019 0.00011 0.00009 0.00010 -0.00015 0.00005 -0.00005 -0.00005 0.00010 -0.00018 0.00009 0.00009 -0.00034 0.00020 0.00013 -0.00005 0.00002 0.00003 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-0.00001 -0.00005 -0.00004 -0.00002 -0.00001 0.00003 -0.00008 0.00001 0.00008 -0.00012 0.00001 0.00010 -0.00007 -0.00002 -0.00027 -0.00030 -0.00030 -0.00016 -0.00010 -0.00006 -0.00009 -0.00008 -0.00055 -0.00054 -0.00002 -0.00013 -0.00003 0.00005 0.00045 0.00016 0.00063 0.00034 0.00013 0.00010 -0.00005 -0.00008 -0.00010 -0.00008 0.00008 0.00010 -0.00024 -0.00006 0.00006 0.00025 0.00057 0.00065 0.00026 0.00035 0.00005 0.00000 0.00008 0.00003 -0.00037 -0.00056 -0.00043 -0.00061 -0.00002 -0.00011 0.00004 -0.00005 0.00008 0.00007 0.00003 0.00002 -0.00005 -0.00001 -0.00007 -0.00003 0.00003 -0.00003 0.00009 0.00003 -0.00006 -0.00010 0.00000 -0.00004 -0.00009 -0.00001 0.00001 0.00008 -0.00005 0.00012 -0.00004 0.00013 0.00008 0.00001 0.00007 -0.00001 -0.00002 -0.00018 0.00000 -0.00017 -0.00194 -0.00175 -0.00193 -0.00205 -0.00186 -0.00204 0.00001 -0.00019 0.00001 -0.00034 0.00021 0.00000 0.00000 0.00002 0.00007 0.00000 0.00008 0.00001 -0.00004 -0.00009 -0.00011 -0.00002 0.00000 0.00010 -0.00007 -0.00007 -0.00002 0.00002 -0.00001 -0.00003 -0.00002 -0.00001 0.00006 -0.00002 0.00002 0.00000 -0.00004 -0.00006 -0.00001 0.00000 0.00001 0.00001 0.00001 0.00002 0.00004 0.00001 0.00000 0.00008 -0.00001 -0.00008 0.00001 0.00016 -0.00018 -0.00004 -0.00008 0.00000 0.00008 0.00010 -0.00008 -0.00003 -0.00006 -0.00005 0.00011 -0.00013 0.00005 0.00008 -0.00039 0.00022 0.00015 -0.00004 0.00002 0.00002 0.00003 -0.00003 0.00000 -0.00001 -0.00004 0.00005 -0.00003 0.00003 0.00000 -0.00005 0.00018 -0.00013 -0.00003 -0.00003 0.00006 0.00003 -0.00010 0.00007 -0.00004 0.00009 -0.00004 -0.00004 -0.00001 0.00005 0.00001 0.00001 -0.00002 0.00006 0.00008 0.00005 -0.00005 -0.00008 -0.00006 0.00015 0.00014 0.00008 -0.00018 -0.00008 -0.00011 -0.00001 0.00003 -0.00001 -0.00024 0.00002 0.00027 -0.00033 -0.00002 0.00030 -0.00008 -0.00001 0.00021 0.00018 0.00018 -0.00009 -0.00002 0.00052 0.00055 0.00055 0.00053 0.00079 -0.00031 -0.00090 -0.00018 -0.00030 0.00078 0.00019 0.00068 0.00010 -0.00008 -0.00022 0.00001 -0.00013 0.00007 0.00007 -0.00002 -0.00002 -0.00008 0.00035 0.00055 0.00098 -0.00171 -0.00185 -0.00234 -0.00248 0.00007 0.00000 0.00022 0.00014 0.00262 0.00219 0.00189 0.00146 -0.00067 -0.00084 0.00007 -0.00010 0.00047 0.00058 -0.00018 -0.00007 0.00002 0.00002 0.00001 0.00002 -0.00002 -0.00009 0.00006 -0.00001 -0.00006 -0.00007 0.00000 0.00000 0.00004 0.00003 0.00021 0.00021 0.00018 0.00012 0.00006 0.00001 0.00021 0.00021 -0.00004 -0.00004 -0.00035 -0.00029 -0.00007 -0.00001 -0.00591 -0.00536 -0.00592 -0.00651 -0.00596 -0.00652 2.67807 2.80086 2.66945 2.80233 2.69292 2.67783 2.65999 1.88229 2.38214 2.35526 2.83614 2.68243 2.68701 2.62612 2.80753 2.65816 2.06677 2.77579 2.70378 2.70524 2.08040 2.66474 2.07000 2.69518 2.66576 2.06852 2.65256 2.06147 2.65806 2.07336 2.67283 2.67666 2.06775 2.05931 2.08871 2.09079 2.07995 2.08699 2.09089 2.07974 2.85629 2.08562 2.07719 2.08588 1.99137 2.00712 2.18843 1.87798 2.11705 2.10431 2.06136 2.04980 2.05823 2.17495 2.11584 2.11422 2.05310 2.22696 2.01090 2.04529 2.40279 1.94623 1.93358 2.11107 2.08750 2.08433 2.06238 2.12421 2.09604 2.13836 2.06604 2.07729 2.10349 2.11687 2.06282 2.10441 2.08208 2.09648 2.14600 2.07516 2.06200 1.97769 2.19797 2.10750 2.10392 2.10819 2.07103 2.05912 2.11366 2.11040 2.08100 1.95976 2.24238 1.93726 1.92080 1.84043 1.91548 1.92935 1.91944 1.93768 1.91817 1.83851 1.91699 1.93285 1.91838 2.17559 1.89596 2.21163 1.92268 1.91239 1.92159 1.91828 1.87146 1.91713 2.00758 -1.16970 1.02842 -1.09555 3.11825 -1.08861 2.11248 0.98497 -1.13940 3.07807 3.13217 -0.00126 0.00306 -3.13799 0.00574 -3.12561 2.34604 -0.81594 -0.76208 2.35911 -3.08866 0.06029 0.02027 -3.11396 3.07506 -0.09264 -0.03411 3.08137 3.06308 -0.03677 -0.05662 3.12672 -0.32586 2.82715 2.79373 -0.33644 3.12849 0.02198 -0.02021 -3.12672 0.16635 -3.01679 -2.98408 0.11597 -3.13414 0.02971 0.01644 -3.10290 3.13137 -0.00101 -0.01809 3.13272 0.00548 -3.13862 -3.11005 0.02903 0.04560 3.12732 -3.13236 -0.05063 3.12128 -0.01788 0.03706 -3.10210 -0.00505 -3.13673 3.11410 -0.01758 0.00773 -3.13631 3.14018 -0.00386 -3.13982 -0.00793 -0.00592 3.12597 3.13748 -0.00167 0.00461 -3.13453 -1.01970 -3.13214 1.04074 2.12245 0.01001 -2.10031 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000125 0.000024 0.008475 0.002262 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.863961e-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 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 1 2 2 3 3 4 4 5 6 7 7 7 8 8 9 9 10 10 10 11 12 12 13 14 15 16 16 17 17 18 18 19 20 22 22 22 23 23 23 24 25 25 25 13 22 14 23 18 24 21 40 21 24 8 9 12 11 21 13 26 11 16 17 27 15 28 14 15 29 19 30 20 31 19 20 32 33 34 35 36 37 38 39 25 41 42 43 1.4172 1.4823 1.4126 1.4831 1.4249 1.417 1.4076 0.9961 1.2605 1.2463 1.5008 1.4195 1.4219 1.3897 1.4857 1.4066 1.0937 1.4688 1.4308 1.4316 1.1009 1.4101 1.0954 1.4262 1.4107 1.0946 1.4036 1.0909 1.4066 1.0972 1.4144 1.4165 1.0942 1.0897 1.1053 1.1064 1.1007 1.1044 1.1064 1.1006 1.5115 1.1036 1.0992 1.1038 -DE/DX = 0.0|-DE/DX = -0.0001|-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 = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 13 14 18 21 8 8 9 7 7 11 7 7 13 11 11 16 8 8 10 7 7 15 1 1 9 2 2 13 12 12 14 10 10 19 10 10 20 3 3 19 16 16 18 17 17 18 4 4 5 1 1 1 34 34 35 2 2 2 37 37 38 3 3 6 24 24 24 41 41 42 1 2 3 4 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 25 25 25 25 25 25 22 23 24 40 9 12 12 11 21 21 13 26 26 16 17 17 10 27 27 15 28 28 9 14 14 13 15 15 14 29 29 19 30 30 20 31 31 19 20 20 18 32 32 18 33 33 5 8 8 34 35 36 35 36 36 37 38 39 38 39 39 6 25 25 41 42 43 42 43 43 114.0964 114.99 125.3979 107.6024 121.3028 120.5679 118.1025 117.439 117.9328 124.6175 121.2324 121.1386 117.6277 127.6033 115.2135 117.1817 137.6922 111.4982 110.7768 120.9576 119.6035 119.4222 118.1643 121.71 120.094 122.5194 118.3775 119.0172 120.5224 121.2861 118.1913 120.5764 119.2838 120.1273 122.9582 118.8996 118.1402 113.3117 125.9403 120.7464 120.5481 120.7857 118.6638 117.9809 121.1044 120.9146 119.2316 112.2853 128.48 110.9934 110.0491 105.4459 109.752 110.5484 109.979 111.0125 109.895 105.3343 109.8454 110.7487 109.9211 124.653 108.629 126.718 110.1755 109.5706 110.0833 109.9283 107.2284 109.8257 -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 = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-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 = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 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 22 22 13 13 13 23 23 14 14 14 24 24 18 18 40 40 9 9 12 12 8 8 12 12 8 8 9 9 7 7 21 21 7 7 11 11 7 7 26 26 16 16 17 17 11 11 17 17 11 11 16 16 7 7 28 28 1 1 9 9 2 2 13 13 10 10 30 30 10 10 31 31 3 3 20 20 3 3 19 19 3 3 3 6 6 1 1 1 1 1 2 2 2 2 2 3 3 3 3 4 4 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 13 13 13 13 14 14 14 14 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 24 24 24 24 24 13 13 22 22 22 14 14 23 23 23 18 18 24 24 21 21 8 8 8 8 9 9 9 9 12 12 12 12 11 11 11 11 21 21 21 21 13 13 13 13 11 11 11 11 16 16 16 16 17 17 17 17 15 15 15 15 14 14 14 14 15 15 15 15 19 19 19 19 20 20 20 20 19 19 19 19 20 20 20 20 25 25 25 25 25 9 14 34 35 36 13 15 37 38 39 19 20 6 25 5 8 11 21 11 21 13 26 13 26 15 28 15 28 10 27 10 27 4 5 4 5 1 14 1 14 8 27 8 27 19 30 19 30 20 31 20 31 14 29 14 29 2 15 2 15 12 29 12 29 18 32 18 32 18 33 18 33 16 32 16 32 17 33 17 33 41 42 43 41 42 115.0307 -67.0182 58.9123 -62.7807 178.6527 -62.3677 121.0377 56.4051 -65.3141 176.3288 179.4295 -0.1174 0.1933 -179.7423 0.3387 -179.0673 134.374 -46.7611 -43.7033 135.1617 -176.9625 3.4674 1.1607 -178.4094 176.1844 -5.3119 -1.9532 176.5505 175.5061 -2.1264 -3.2753 179.0921 -18.5727 162.0893 160.2032 -19.1347 179.2448 1.2594 -1.1705 -179.156 9.3811 -172.9748 -171.0832 6.5609 -179.5346 1.7503 0.9377 -177.7775 179.3877 -0.0912 -1.0259 179.4953 0.313 -179.831 -178.1934 1.6626 2.6137 179.1873 -179.4741 -2.9004 178.8397 -1.0206 2.1233 -177.737 -0.2914 -179.7235 178.4129 -1.0192 0.4328 -179.7043 179.9153 -0.2217 -179.9101 -0.4662 -0.337 179.1069 179.784 -0.0792 0.2682 -179.595 -58.0857 -179.1511 59.9691 121.9805 0.915 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 324.1996999999998 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0.38831 1.13228 0.85935 0.94480 0.89326 1.06376 1.19680 1.20983 0.20243 0.37537 0.39141 1.13229 0.85942 0.95155 0.87016 1.21972 1.06051 1.19876 0.42379 0.26169 0.42007 1.13249 0.85916 0.97540 0.84759 1.06537 1.24610 1.08589 0.21328 0.42145 0.34816 1.13252 0.85914 0.97951 0.84430 1.27395 1.06328 1.04961 0.35908 0.31905 0.30509 1.17426 0.81382 0.75287 0.40725 0.90538 0.87032 0.87013 -0.15806 -0.02611 -0.02043 1.17433 0.81384 0.75351 0.43168 0.92349 0.84590 0.84506 -0.10593 0.08570 0.11048 1.17431 0.81387 0.75059 0.54607 0.92108 0.86228 0.86680 0.12212 0.23237 0.23086 1.17428 0.81387 0.75746 0.40065 0.91601 0.85992 0.86356 -0.15544 -0.00175 -0.01273 1.17440 0.81384 0.75774 0.54637 0.93061 0.83517 0.84293 0.05392 0.21410 0.21536 1.17433 0.81396 0.74956 0.54541 0.92800 0.85646 0.85880 0.10716 0.18447 0.19671 1.17433 0.81384 0.76889 0.29076 0.91584 0.85415 0.81149 -0.01300 0.08610 0.07217 1.17433 0.81386 0.76781 0.30920 0.78056 0.90124 0.90116 -0.03297 0.10989 0.09723 1.17434 0.81400 0.75226 0.52613 0.93001 0.85249 0.85758 0.03493 0.21130 0.18425 1.17436 0.81398 0.75411 0.53670 0.92215 0.85709 0.84870 0.05423 0.20450 0.18224 1.17435 0.81400 0.75093 0.53923 0.92605 0.85124 0.85776 0.08526 0.18965 0.19210 1.17431 0.81397 0.77216 0.29130 0.76600 0.90986 0.90976 -0.08909 0.03656 0.03090 1.17434 0.81403 0.75329 0.52357 0.93615 0.85439 0.84925 0.08974 0.17928 0.17435 1.17434 0.81403 0.75269 0.52261 0.93099 0.85152 0.85726 0.06605 0.18595 0.19191 1.17453 0.81378 0.80423 0.23796 0.84613 0.82593 0.81509 0.10482 0.12888 0.18066 1.17431 0.81432 0.74850 0.67182 0.95012 0.75412 0.95518 0.17930 0.08271 0.20050 1.17431 0.81432 0.74856 0.67130 0.94030 0.84292 0.87588 0.18984 0.12625 0.14877 1.17465 0.81403 0.81231 0.22335 0.91928 0.76025 0.76579 0.07105 0.11920 0.11727 1.17413 0.81430 0.72888 0.70367 0.86021 0.95207 0.95153 0.13887 0.21582 0.21496 0.51475 0.21721 0.51672 0.21618 0.51868 0.22959 0.51620 0.23120 0.51913 0.23973 0.51916 0.23640 0.51682 0.24056 0.51689 0.24132 0.51712 0.24723 0.51898 0.26420 0.51750 0.25156 0.51716 0.24782 0.51928 0.26732 0.51746 0.25051 0.47812 0.14038 0.50751 0.24495 0.50800 0.24329 0.50742 0.24435 -0.6238 -0.5064 1.1096 1.3700 -125.0226 -129.2048 -144.5586 -0.5936 3.7033 5.5943 7.9061 3.7239 -11.6299 -0.5936 3.7033 5.5943 155.4270 21.2698 -14.0154 -47.9169 -31.5926 44.8590 4.1591 6.6560 -17.0228 29.9845 -13746.7493 -1148.9410 -908.1818 199.1176 -175.9967 -77.3383 -30.1492 83.9435 -25.3342 -2651.3990 -2960.8523 -298.7653 170.1345 -16.9701 20.2592 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 324.1996999999998 AuxInfo=1/0/N:25,23,22,16,17,12,19,20,15,11,9,24,10,7,18,8,14,13,21,6,4,5,2,1,3/E:(4,5)(7,8)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.1,22.1/rA:43OOOOO1O1C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CCC3CHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7;;s8s10;s7;s1s9;s2s13;s12s14;s10;s10;s3;s16s18;s17s18;s4s5s8;s1;s2;s3s6;s24;s9;s11;s12;s15;s16;s17;s19;s20;s22;s22;s22;s23;s23;s23;s4;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.931080 0.000000 11.646923 12.119707 0.000000 4.797820 6.201517 8.421361 0.000000 6.395115 7.864062 6.503855 2.302881 0.000000 12.543120 12.561214 2.360057 9.913378 8.258119 0.000000 3.737865 4.269896 8.190960 2.755485 3.749832 9.090553 0.000000 4.966473 5.769089 6.868575 2.403104 2.475289 8.002235 1.500782 0.000000 2.422569 3.762552 9.305923 2.900842 4.236016 10.288188 1.419479 2.545769 0.000000 7.433279 7.931756 4.268327 4.647798 3.335409 5.363003 3.925643 2.666089 5.069912 0.000000 6.019345 6.486882 5.733878 3.701117 3.083898 6.678927 2.471008 1.389730 3.656687 1.468832 0.000000 4.235794 3.724118 8.541024 3.868034 4.922806 9.130088 1.421925 2.538651 2.436867 4.393335 3.006848 0.000000 1.417167 2.489141 10.540908 4.066072 5.626010 11.355086 2.462560 3.840315 1.406646 6.283468 4.829530 2.819219 0.000000 2.483412 1.412610 10.797298 4.917838 6.476535 11.362010 2.858008 4.357276 2.454537 6.574227 5.116751 2.449271 1.426246 0.000000 3.755371 2.424801 9.868223 4.814204 6.165431 10.309844 2.464368 3.836860 2.816575 5.748029 4.354796 1.410109 2.444598 1.410669 0.000000 8.202427 9.029925 3.685482 4.774616 2.904453 5.356443 4.834509 3.379679 5.835747 1.430813 2.601821 5.520461 7.163249 7.635102 6.908223 0.000000 8.309537 8.436855 3.771457 5.971104 4.765977 4.272107 4.821761 3.820529 6.032795 1.431590 2.449172 4.952890 7.098138 7.169049 6.199517 2.442969 0.000000 10.247039 10.699493 1.424918 7.149207 5.346041 2.954258 6.773895 5.475487 7.902610 2.850416 4.312513 7.128517 9.123880 9.373343 8.458188 2.447233 2.419572 0.000000 9.581344 10.339932 2.371945 6.113111 4.133142 4.337105 6.195943 4.765026 7.223097 2.461846 3.856852 6.781132 8.536693 8.959246 8.164744 1.403644 2.799628 1.414420 0.000000 9.684031 9.832304 2.531013 7.105882 5.624027 2.902516 6.200094 5.106027 7.396748 2.493763 3.776509 6.338020 8.492892 8.573601 7.581994 2.852009 1.406575 1.416455 2.460778 0.000000 5.347626 6.638440 7.101206 1.407606 1.260534 8.598427 2.559057 1.485737 3.102047 3.328859 2.546515 3.745252 4.468687 5.252851 4.942929 3.425600 4.703303 5.814773 4.792355 5.796270 0.000000 1.482250 3.147708 12.761711 5.278333 7.194018 13.718355 4.684992 5.931348 3.464769 8.523184 7.096204 5.039328 2.433242 3.115281 4.401383 9.234872 9.451575 11.360514 10.634386 10.833734 6.129200 0.000000 3.087067 1.483106 12.724330 7.134520 8.617813 13.082670 5.101253 6.549971 4.410171 8.593910 7.178826 4.721754 3.102707 2.442381 3.522793 9.713305 9.032711 11.315145 11.000459 10.409567 7.457142 3.508424 0.000000 12.648024 12.908608 1.417046 9.660038 7.829541 1.246350 9.178027 7.950836 10.337728 5.292329 6.715012 9.378275 11.502308 11.641040 10.642628 4.954185 4.474750 2.525397 3.727325 3.077134 8.337373 13.797828 13.471209 0.000000 13.981461 14.354711 2.379284 10.780199 8.829578 2.467912 10.527608 9.234862 11.657730 6.608645 8.062472 10.793881 12.867441 13.065241 12.085542 6.056767 5.921928 3.762298 4.707155 4.544510 9.471773 15.118778 14.925150 1.511487 0.000000 2.597991 4.630775 9.352993 2.659157 3.835229 10.526319 2.194689 2.787163 1.093686 5.249907 3.972838 3.441667 2.145138 3.429912 3.909669 5.788964 6.354285 7.991740 7.171354 7.650314 2.890902 3.623305 5.119391 10.465834 11.714170 0.000000 5.912754 5.977274 6.155652 4.445656 4.143249 6.721886 2.504096 2.065125 3.716436 2.125256 1.100914 2.599276 4.653419 4.690859 3.812576 3.482345 2.486991 4.742029 4.579552 3.892620 3.464646 7.043567 6.600707 6.956663 8.386876 4.253805 0.000000 5.330389 4.592626 7.923026 4.302217 5.064887 8.391502 2.181894 2.749303 3.432424 3.992995 2.814437 1.095406 3.913842 3.435872 2.169310 5.181392 4.364481 6.543442 6.329329 5.689822 3.998657 6.092051 5.618204 8.686347 10.109968 4.356307 2.331658 0.000000 4.633712 2.614078 10.311612 5.764118 7.087616 10.549115 3.462272 4.724648 3.910963 6.358487 5.060051 2.188550 3.428324 2.155723 1.094620 7.589393 6.619584 8.930844 8.770996 7.951731 5.879635 5.131634 3.719532 10.980437 12.445515 5.003771 4.391143 2.516885 0.000000 7.838184 8.952338 4.539187 4.072930 1.970170 6.381409 4.686722 3.187495 5.520486 2.182708 2.868714 5.583305 6.905209 7.540285 6.957473 1.090891 3.435779 3.435273 2.167342 3.942617 2.778018 8.795282 9.659838 5.880664 6.861087 5.312920 3.910843 5.400915 7.739519 0.000000 8.032360 7.845548 4.672671 6.272463 5.409028 4.716685 4.654030 3.968683 5.879763 2.184359 2.613629 4.523589 6.777947 6.666762 5.632116 3.439226 1.097178 3.409109 3.896788 2.153591 5.111965 9.188508 8.397467 5.162035 6.658584 6.356989 2.167277 3.891156 5.931973 4.347073 0.000000 10.265150 11.204402 2.527324 6.531754 4.402871 4.800931 6.988702 5.510144 7.932629 3.458521 4.769358 7.674346 9.289454 9.806643 9.069954 2.177092 3.893502 2.163937 1.094211 3.440195 5.275495 11.275923 11.876483 3.941918 4.593516 7.768111 5.579674 7.263836 9.717714 2.511293 4.990587 0.000000 10.401555 10.332244 2.821157 8.085746 6.692378 2.230659 6.963950 5.997184 8.179025 3.479731 4.628270 6.941084 9.185609 9.144223 8.094491 3.941744 2.179374 2.186303 3.451324 1.089739 6.800629 11.572486 10.862806 2.829063 4.338387 8.507230 4.539142 6.228529 8.348050 5.032305 2.487236 4.340623 0.000000 2.143041 2.471332 13.167617 5.871975 7.855911 13.983807 4.982967 6.354836 3.955013 8.900657 7.442092 5.024991 2.719526 2.858386 4.129595 9.723337 9.723684 11.750968 11.114884 11.124245 6.712240 1.105292 2.973909 14.141791 15.504559 4.364692 7.265432 6.025538 4.656594 9.368045 9.359282 11.817521 11.798525 0.000000 2.132041 3.804760 12.517949 4.609872 6.673809 13.614947 4.557452 5.667237 3.417811 8.324348 6.938605 5.026928 2.734613 3.520912 4.600294 8.915623 9.356519 11.136522 10.318465 10.713678 5.642354 1.106392 4.444528 13.615581 14.891775 3.465861 7.033341 6.021729 5.380290 8.388625 9.194431 10.893348 11.513744 1.808956 0.000000 2.068218 3.948859 13.560429 6.063674 7.889355 14.554712 5.613509 6.792605 4.300639 9.358719 7.956844 6.056164 3.329342 4.074421 5.416078 10.018998 10.307853 12.171762 11.412297 11.677380 6.908343 1.100660 3.966774 14.613372 15.915785 4.266431 7.923066 7.126535 6.132475 9.535563 10.063230 12.017335 12.425619 1.813047 1.807682 0.000000 2.380262 2.143331 12.746493 6.868079 8.318277 13.251120 5.064860 6.450630 4.118733 8.594829 7.180776 4.995501 2.827990 2.715033 3.992690 9.615427 9.151876 11.340464 10.927425 10.528457 7.218686 2.932356 1.104378 13.562946 14.983204 4.622615 6.718054 5.992692 4.437904 9.471047 8.612049 11.746835 11.052521 2.698021 3.964107 3.194752 0.000000 3.739203 2.130872 12.278632 7.450898 8.699109 12.475511 5.131229 6.505650 4.635284 8.278069 6.930412 4.652579 3.517587 2.764588 3.526203 9.477182 8.564211 10.892346 10.699137 9.903436 7.572663 4.441086 1.106431 12.937850 14.408913 5.393068 6.225438 5.448466 3.622772 9.537031 7.847910 11.623709 10.272270 4.009093 5.339473 4.915686 1.809276 0.000000 3.890728 2.067391 13.765676 8.047501 9.637205 14.069005 6.108882 7.580314 5.416751 9.640760 8.222463 5.641730 4.059772 3.331576 4.348093 10.771698 10.050918 12.356844 12.059297 11.424257 8.458325 3.970151 1.100550 14.489383 15.953246 6.110590 7.626658 6.488621 4.354861 10.716036 9.381053 12.940487 11.846419 3.233391 4.929959 4.288218 1.814397 1.806984 0.000000 5.446907 7.056683 8.677139 0.996055 2.329273 10.343253 3.741035 3.250315 3.767871 5.210403 4.457393 4.859731 4.889076 5.819680 5.783768 5.077117 6.591786 7.490088 6.331607 7.620001 1.954857 5.804710 7.971839 9.978558 10.999910 3.333720 5.301193 5.255699 6.726080 4.220626 7.009823 6.589751 8.643197 6.475420 5.027687 6.492939 7.637634 8.341666 8.859744 0.000000 14.213094 14.602608 2.627448 10.715700 8.781982 3.181624 10.686313 9.351547 11.842073 6.801678 8.257522 10.961550 13.082591 13.291289 12.287945 6.123218 6.249694 3.999363 4.754091 4.929184 9.468977 15.278519 15.265358 2.157130 1.103616 11.888507 8.671134 10.247798 12.651157 6.844470 7.051242 4.493724 4.853439 15.665536 14.975856 16.099238 15.329142 14.810971 16.288498 10.869056 0.000000 14.784166 15.020685 3.331192 11.729865 9.831946 2.625157 11.323637 10.087993 12.480393 7.433977 8.860938 11.500099 13.645345 13.768952 12.749062 7.009503 6.601036 4.631097 5.699022 5.195889 10.417303 15.941874 15.564337 2.146139 1.099208 12.588012 9.086378 10.775938 13.042376 7.864818 7.218978 5.663064 4.778496 16.286855 15.753939 16.750411 15.667642 14.994496 16.574427 11.991874 1.803659 0.000000 14.047117 14.623310 2.641030 10.873941 8.802889 3.170874 10.723416 9.389721 11.764197 6.808488 8.264964 11.116145 13.008223 13.312052 12.420692 6.132255 6.249823 4.008394 4.765799 4.929815 9.540783 15.217521 15.130226 2.156131 1.103842 11.725863 8.650993 10.519170 12.858164 6.847989 7.048091 4.505848 4.848538 15.671776 14.995278 15.959836 15.111135 14.623355 16.182192 11.041890 1.777094 1.802712 0.000000 0.5662982 0.0695133 0.0635217 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= 263 263 265 265 266 MxSgAt= 43 MxSgA2= 43. 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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= 17391 NPrTT= 89832 LenC2= 12983 LenP2D= 40300. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 286 RedAO= T EigKep= 4.50D-04 NBF= 286 NBsUse= 286 1.00D-06 EigRej= -1.00D+00 NBFU= 286 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= 265 265 265 265 265 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 0 1 -1184.12309898349 -1184.02993368044 0.093165303046 -1184.38673583740 -0.356802156957 -1184.36515910038 0.021576737017 -1184.55486182503 -0.189702724645 -1184.59975804972 -0.044896224688 -1184.60044628144 -0.000688231724 -1184.60113105647 -0.000684775031 -1184.60117341082 -0.000042354348 -1184.60113303065 0.000040380171 -1184.60113913289 -0.000006102246 -1184.60113511740 0.000004015494 -1184.60114339595 -0.000008278549 -1184.60114368629 -0.000000290343 -1184.60114369796 -0.000000011668 -1184.60114369838 -0.000000000417 -1184.60114369839 -0.000000000012 -1184.60114369849 -0.000000000101 -1184.60114370 18 1.180888579635e+03 -6.870335477161e+03 2.454703363881e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 267456 IEndB= 267456 NGot= 498073600 MDV= 497904867 LenX= 497904867 LenY= 497822630 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. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. -2.45408173e-01 -1.99250166e-01 4.36555135e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 8 8 8 8 8 8 6 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 -0.014663297 -0.005167310 0.037027895 -0.031438264 0.017795960 -0.018601006 0.039298552 0.002045267 0.001937749 -0.026946970 0.023112780 -0.000493108 0.042157527 0.000055025 -0.021576299 -0.023430522 0.013595767 -0.015425500 0.024785197 0.006648891 0.001219201 0.013471257 -0.004013307 0.004070063 -0.004536676 0.007497159 0.007206790 0.000577345 0.001566842 -0.000932860 -0.014534011 -0.006137950 0.001376482 -0.006639198 -0.012084170 -0.013713427 0.014589440 0.003842796 -0.004521863 0.009643383 -0.011354578 -0.005669426 0.001892557 -0.008720318 -0.006839719 0.006041451 -0.009978944 -0.003189732 0.002340568 0.004823613 0.008152596 -0.045118831 -0.006416231 0.003218173 0.002481176 -0.008710056 -0.005953480 0.003971225 0.006436654 0.007941165 -0.024862952 -0.017679313 0.016865254 -0.007159279 0.013724086 -0.005425258 -0.007170333 -0.008907340 0.011036632 0.033786181 -0.002129927 0.004965647 0.001936938 0.002862886 -0.002352009 0.001210992 0.003407756 0.002607606 -0.008575607 -0.003809978 0.003740266 0.004965782 -0.001694944 -0.002734260 -0.005784388 -0.002782447 -0.002315557 -0.003602306 -0.001507323 -0.003273098 -0.004357708 0.002604496 0.002323918 0.005191671 -0.002296080 -0.003176537 0.004714728 0.003481568 0.002953906 -0.004366180 0.000563732 -0.007905734 0.006314351 0.006549040 -0.004076943 -0.002223190 0.000113894 0.005468559 0.002213305 0.000044542 0.008864825 0.003348150 -0.009639114 0.000038557 -0.004879880 0.001869736 -0.002497237 0.006184514 0.006868975 -0.007416107 0.003981972 -0.002814295 0.006988445 0.000851929 0.002971252 -0.002955634 0.004339400 -0.006639094 0.003041067 0.045118831 0.011856216 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -1184.64815959022 -1184.64818747392 -0.000027883707 -1184.64833985776 -0.000152383831 -1184.64834347506 -0.000003617307 -1184.64834015756 0.000003317498 -1184.64834555770 -0.000005400140 -1184.64834567150 -0.000000113796 -1184.64834567350 -0.000000001996 -1184.64834567381 -0.000000000317 -1184.64834567393 -0.000000000114 -1184.64834567391 0.000000000019 -1184.64834567 11 1.179069084453e+03 -6.729784694630e+03 2.385303799155e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 267456 IEndB= 267456 NGot= 498073600 MDV= 497904867 LenX= 497904867 LenY= 497822630 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. Fock matrices will be formed incrementally for 20 cycles. 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.828284 -18.808785 -18.783134 -18.780842 -18.779024 -18.766859 -10.050421 -10.040762 -9.984875 -9.962388 -9.960891 -9.940785 -9.940582 -9.937830 -9.933058 -9.930987 -9.923764 -9.921698 -9.918432 -9.916530 -9.916265 -9.910157 -9.909615 -9.909097 -9.907704 -1.026533 -1.016557 -0.964353 -0.957582 -0.944275 -0.932617 -0.796255 -0.786057 -0.746919 -0.719150 -0.691456 -0.689175 -0.684574 -0.666099 -0.634391 -0.622280 -0.613960 -0.589413 -0.563187 -0.553538 -0.540138 -0.524652 -0.504742 -0.481095 -0.464305 -0.453994 -0.451643 -0.439918 -0.438516 -0.433983 -0.425781 -0.414770 -0.410664 -0.406542 -0.401474 -0.396427 -0.396351 -0.383446 -0.382816 -0.380590 -0.378044 -0.376017 -0.373645 -0.370120 -0.355703 -0.350386 -0.342933 -0.339030 -0.327421 -0.322022 -0.320509 -0.312810 -0.306331 -0.299402 -0.292570 -0.276088 -0.267373 -0.251937 -0.241854 -0.238932 -0.235126 -0.227967 -0.217519 -0.208517 -0.193441 -0.108343 -0.064643 -0.048083 -0.045823 -0.038207 -0.022472 0.025835 0.038335 0.044995 0.051383 0.056007 0.081299 0.093043 0.099152 0.100856 0.105649 0.111820 0.117363 0.125807 0.130528 0.134496 0.142206 0.146097 0.149752 0.154296 0.160175 0.164348 0.165243 0.166527 0.169940 0.171230 0.175622 0.178842 0.180347 0.189027 0.195646 0.199682 0.216689 0.221302 0.224663 0.228797 0.230237 0.236351 0.241254 0.243048 0.250813 0.254814 0.257585 0.261312 0.264723 0.272768 0.279746 0.287554 0.287739 0.296261 0.304477 0.307877 0.308334 0.318526 0.326107 0.332124 0.334052 0.342751 0.346484 0.352846 0.356503 0.362458 0.368058 0.370719 0.375657 0.380351 0.384535 0.389484 0.390188 0.392595 0.395252 0.405860 0.408642 0.421546 0.422875 0.426686 0.435630 0.443006 0.449935 0.456394 0.468462 0.478932 0.483111 0.486773 0.509310 0.515098 0.517410 0.523859 0.537150 0.541853 0.550970 0.553599 0.577891 0.583197 0.602064 0.609422 0.614039 0.621596 0.630235 0.639099 0.643277 0.659829 0.673437 0.683349 0.689522 0.704005 0.734427 0.750457 0.755567 0.764221 0.780368 0.788498 0.796578 0.803175 0.812362 0.827859 0.832200 0.846107 0.852950 0.863627 0.880077 0.897135 0.903376 0.917261 0.924593 0.937517 0.949481 0.954966 0.964181 0.972731 0.991043 0.996974 1.012315 1.029912 1.037794 1.042075 1.045512 1.062001 1.071856 1.082905 1.089106 1.098712 1.104393 1.125536 1.130628 1.140837 1.144356 1.158107 1.177302 1.201868 1.203265 1.218855 1.235115 1.274475 1.337862 1.344963 1.380723 1.420100 1.445187 1.476414 1.610782 1.640218 1.697482 1.722659 1.752740 1.786027 22.255640 22.357909 22.392342 22.470101 22.512518 22.534631 22.535355 22.559718 22.565799 22.579558 22.599395 22.606403 22.638287 22.676813 22.705577 22.723218 22.762606 22.772665 22.785958 41.457647 41.495853 41.509378 41.549448 41.558478 41.565991 29.114916 29.115968 29.117524 29.117600 29.116779 29.116781 15.958581 15.956483 15.957041 15.955782 15.955473 15.958525 15.958542 15.954060 15.953821 15.954760 15.954272 15.954101 15.954747 15.953583 15.953787 15.954386 15.953587 15.954289 15.952965 2.516175 2.495926 2.435289 2.810819 2.618883 2.853807 1.534991 1.550153 1.630012 1.658498 1.579130 1.637509 1.672043 1.720798 1.631180 1.709321 1.691893 1.764217 1.487530 1.560326 1.770060 1.634290 1.518079 1.412663 1.517919 1.636649 1.723755 1.433370 1.670832 1.327135 2.026377 1.517027 1.259460 1.785518 1.292574 1.388028 1.470964 1.387991 1.330717 1.324012 1.321014 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3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 16 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 17 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 18 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 19 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 20 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 21 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 22 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 23 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 24 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 25 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 39 H 1S 2S 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 43 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 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 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|21 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|22 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|23 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|24 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|25 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|39 H 1S|2S|40 H 1S|2S|41 H 1S|2S|42 H 1S|2S|43 H 1S|2S 1.13234 0.85941 0.94063 0.91839 1.04662 1.18382 1.19371 0.22982 0.39845 0.40514 1.13233 0.85941 0.94093 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0.000007144 -0.000006801 -0.000003048 0.000003750 0.000004169 -0.000004423 -0.000001944 -0.000003024 -0.000008201 324.1996999999998 AuxInfo=1/0/N:25,23,22,16,17,12,19,20,15,11,9,24,10,7,18,8,14,13,21,6,4,5,2,1,3/E:(4,5)(7,8)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.1,22.1/rA:43OOOOO1O1C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CCC3CHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7;;s8s10;s7;s1s9;s2s13;s12s14;s10;s10;s3;s16s18;s17s18;s4s5s8;s1;s2;s3s6;s24;s9;s11;s12;s15;s16;s17;s19;s20;s22;s22;s22;s23;s23;s23;s4;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2070 CBGUSER 000226516 EM64L-G09RevD.01 9-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 123 C1[X(C19H18O6)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 324.1996999999998 0 1 AuxInfo=1/0/N:25,23,22,16,17,12,19,20,15,11,9,24,10,7,18,8,14,13,21,6,4,5,2,1,3/E:(4,5)(7,8)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.1,22.1/rA:43OOOOO1O1C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CCC3CHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7;;s8s10;s7;s1s9;s2s13;s12s14;s10;s10;s3;s16s18;s17s18;s4s5s8;s1;s2;s3s6;s24;s9;s11;s12;s15;s16;s17;s19;s20;s22;s22;s22;s23;s23;s23;s4;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-8542.inp" -scrdir="/scratch/" chk=000226516-Freq.chk nprocshared=4 mem=3GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000226516 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 16 16 16 16 16 16 12 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 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (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| 0.000210 0.000049 0.076073 0.026378 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.076088e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1980.7634674548 286 672 286 90 90 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 43 43 43 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 324.1996999999998 AuxInfo=1/0/N:25,23,22,16,17,12,19,20,15,11,9,24,10,7,18,8,14,13,21,6,4,5,2,1,3/E:(4,5)(7,8)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.1,22.1/rA:43OOOOO1O1C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CCC3CHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7;;s8s10;s7;s1s9;s2s13;s12s14;s10;s10;s3;s16s18;s17s18;s4s5s8;s1;s2;s3s6;s24;s9;s11;s12;s15;s16;s17;s19;s20;s22;s22;s22;s23;s23;s23;s4;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.931081 0.000000 11.646923 12.119707 0.000000 4.797820 6.201517 8.421361 0.000000 6.395115 7.864061 6.503855 2.302881 0.000000 12.543120 12.561214 2.360056 9.913377 8.258119 0.000000 3.737866 4.269897 8.190960 2.755485 3.749832 9.090553 0.000000 4.966473 5.769090 6.868574 2.403105 2.475289 8.002234 1.500782 0.000000 2.422569 3.762552 9.305923 2.900842 4.236016 10.288188 1.419479 2.545769 0.000000 7.433279 7.931756 4.268327 4.647797 3.335409 5.363003 3.925643 2.666089 5.069912 0.000000 6.019345 6.486882 5.733878 3.701117 3.083899 6.678926 2.471007 1.389730 3.656687 1.468832 0.000000 4.235795 3.724119 8.541023 3.868035 4.922807 9.130087 1.421926 2.538651 2.436868 4.393335 3.006847 0.000000 1.417168 2.489140 10.540908 4.066073 5.626011 11.355086 2.462561 3.840316 1.406647 6.283468 4.829530 2.819219 0.000000 2.483412 1.412611 10.797297 4.917837 6.476535 11.362010 2.858008 4.357276 2.454537 6.574227 5.116751 2.449271 1.426245 0.000000 3.755371 2.424801 9.868223 4.814203 6.165431 10.309844 2.464368 3.836861 2.816575 5.748029 4.354796 1.410109 2.444597 1.410669 0.000000 8.202427 9.029926 3.685482 4.774616 2.904453 5.356443 4.834509 3.379679 5.835747 1.430813 2.601822 5.520461 7.163250 7.635102 6.908224 0.000000 8.309537 8.436855 3.771457 5.971103 4.765977 4.272107 4.821760 3.820529 6.032794 1.431591 2.449171 4.952889 7.098138 7.169049 6.199517 2.442969 0.000000 10.247040 10.699493 1.424917 7.149207 5.346042 2.954257 6.773895 5.475488 7.902610 2.850417 4.312514 7.128518 9.123881 9.373343 8.458189 2.447234 2.419573 0.000000 9.581343 10.339932 2.371945 6.113110 4.133142 4.337104 6.195942 4.765025 7.223096 2.461846 3.856852 6.781131 8.536693 8.959245 8.164744 1.403644 2.799628 1.414421 0.000000 9.684031 9.832304 2.531013 7.105881 5.624027 2.902516 6.200094 5.106026 7.396747 2.493763 3.776509 6.338020 8.492892 8.573601 7.581994 2.852010 1.406575 1.416455 2.460778 0.000000 5.347626 6.638440 7.101206 1.407606 1.260534 8.598427 2.559056 1.485737 3.102047 3.328858 2.546515 3.745252 4.468688 5.252851 4.942929 3.425600 4.703303 5.814773 4.792354 5.796270 0.000000 1.482250 3.147707 12.761710 5.278333 7.194018 13.718355 4.684992 5.931348 3.464769 8.523184 7.096203 5.039328 2.433241 3.115280 4.401382 9.234872 9.451575 11.360514 10.634386 10.833734 6.129200 0.000000 3.087068 1.483106 12.724330 7.134521 8.617814 13.082670 5.101254 6.549972 4.410172 8.593910 7.178826 4.721755 3.102707 2.442381 3.522793 9.713306 9.032711 11.315146 11.000459 10.409567 7.457143 3.508425 0.000000 12.648024 12.908609 1.417045 9.660038 7.829542 1.246349 9.178026 7.950835 10.337727 5.292329 6.715012 9.378275 11.502309 11.641040 10.642628 4.954185 4.474750 2.525396 3.727325 3.077134 8.337373 13.797827 13.471209 0.000000 13.981462 14.354712 2.379284 10.780199 8.829578 2.467913 10.527608 9.234862 11.657730 6.608645 8.062472 10.793881 12.867442 13.065242 12.085543 6.056767 5.921929 3.762298 4.707156 4.544510 9.471773 15.118778 14.925150 1.511488 0.000000 2.597991 4.630774 9.352993 2.659157 3.835229 10.526319 2.194689 2.787163 1.093686 5.249907 3.972839 3.441667 2.145138 3.429911 3.909669 5.788965 6.354285 7.991741 7.171353 7.650314 2.890902 3.623304 5.119392 10.465834 11.714170 0.000000 5.912754 5.977274 6.155651 4.445656 4.143249 6.721886 2.504096 2.065125 3.716435 2.125256 1.100913 2.599276 4.653420 4.690859 3.812576 3.482345 2.486991 4.742030 4.579551 3.892620 3.464645 7.043566 6.600708 6.956663 8.386876 4.253805 0.000000 5.330389 4.592626 7.923026 4.302217 5.064887 8.391502 2.181895 2.749303 3.432424 3.992996 2.814437 1.095405 3.913842 3.435872 2.169310 5.181393 4.364481 6.543442 6.329329 5.689822 3.998658 6.092050 5.618204 8.686348 10.109969 4.356307 2.331659 0.000000 4.633713 2.614079 10.311612 5.764118 7.087616 10.549115 3.462272 4.724648 3.910963 6.358487 5.060050 2.188549 3.428324 2.155723 1.094620 7.589394 6.619584 8.930844 8.770995 7.951731 5.879635 5.131633 3.719532 10.980437 12.445516 5.003771 4.391143 2.516885 0.000000 7.838184 8.952338 4.539188 4.072929 1.970169 6.381409 4.686722 3.187495 5.520486 2.182708 2.868715 5.583305 6.905209 7.540285 6.957473 1.090891 3.435780 3.435274 2.167342 3.942617 2.778018 8.795281 9.659838 5.880665 6.861087 5.312920 3.910843 5.400915 7.739519 0.000000 8.032360 7.845549 4.672671 6.272463 5.409029 4.716685 4.654030 3.968683 5.879763 2.184360 2.613629 4.523589 6.777948 6.666762 5.632116 3.439227 1.097178 3.409109 3.896788 2.153591 5.111965 9.188508 8.397467 5.162035 6.658585 6.356989 2.167277 3.891157 5.931973 4.347074 0.000000 10.265150 11.204402 2.527325 6.531753 4.402871 4.800931 6.988701 5.510144 7.932628 3.458521 4.769358 7.674346 9.289454 9.806642 9.069954 2.177091 3.893503 2.163938 1.094211 3.440195 5.275495 11.275922 11.876483 3.941919 4.593517 7.768110 5.579674 7.263837 9.717713 2.511293 4.990587 0.000000 10.401555 10.332245 2.821157 8.085746 6.692378 2.230659 6.963950 5.997184 8.179025 3.479732 4.628270 6.941084 9.185610 9.144223 8.094492 3.941744 2.179374 2.186303 3.451324 1.089740 6.800629 11.572486 10.862807 2.829063 4.338387 8.507230 4.539142 6.228530 8.348050 5.032306 2.487236 4.340623 0.000000 2.143041 2.471331 13.167616 5.871975 7.855910 13.983807 4.982967 6.354836 3.955012 8.900656 7.442091 5.024991 2.719525 2.858385 4.129594 9.723337 9.723683 11.750968 11.114884 11.124244 6.712239 1.105292 2.973909 14.141791 15.504559 4.364691 7.265432 6.025538 4.656594 9.368044 9.359282 11.817520 11.798525 0.000000 2.132041 3.804759 12.517949 4.609873 6.673809 13.614947 4.557453 5.667237 3.417811 8.324348 6.938605 5.026929 2.734613 3.520911 4.600294 8.915624 9.356519 11.136523 10.318465 10.713678 5.642354 1.106392 4.444528 13.615582 14.891776 3.465861 7.033341 6.021729 5.380289 8.388625 9.194431 10.893347 11.513745 1.808956 0.000000 2.068217 3.948858 13.560428 6.063674 7.889354 14.554711 5.613509 6.792604 4.300639 9.358719 7.956844 6.056164 3.329341 4.074421 5.416077 10.018998 10.307852 12.171762 11.412297 11.677379 6.908343 1.100661 3.966774 14.613372 15.915785 4.266430 7.923065 7.126534 6.132474 9.535562 10.063230 12.017335 12.425619 1.813047 1.807682 0.000000 2.380263 2.143331 12.746493 6.868078 8.318277 13.251120 5.064860 6.450631 4.118734 8.594830 7.180776 4.995502 2.827990 2.715032 3.992690 9.615427 9.151876 11.340465 10.927425 10.528457 7.218686 2.932356 1.104378 13.562946 14.983204 4.622615 6.718054 5.992692 4.437904 9.471047 8.612049 11.746834 11.052522 2.698020 3.964106 3.194751 0.000000 3.739204 2.130872 12.278632 7.450898 8.699109 12.475511 5.131229 6.505650 4.635284 8.278069 6.930412 4.652579 3.517586 2.764589 3.526203 9.477182 8.564211 10.892347 10.699136 9.903436 7.572663 4.441086 1.106430 12.937850 14.408913 5.393068 6.225439 5.448466 3.622773 9.537031 7.847911 11.623709 10.272270 4.009092 5.339473 4.915685 1.809276 0.000000 3.890729 2.067391 13.765676 8.047501 9.637206 14.069005 6.108883 7.580315 5.416752 9.640760 8.222463 5.641731 4.059772 3.331576 4.348093 10.771699 10.050918 12.356845 12.059297 11.424257 8.458325 3.970152 1.100550 14.489383 15.953247 6.110591 7.626658 6.488622 4.354861 10.716036 9.381054 12.940488 11.846419 3.233392 4.929959 4.288219 1.814398 1.806984 0.000000 5.446907 7.056682 8.677139 0.996055 2.329273 10.343253 3.741034 3.250315 3.767871 5.210402 4.457393 4.859731 4.889077 5.819680 5.783767 5.077116 6.591786 7.490088 6.331606 7.620001 1.954857 5.804710 7.971840 9.978558 10.999910 3.333720 5.301193 5.255699 6.726080 4.220626 7.009823 6.589750 8.643197 6.475419 5.027688 6.492939 7.637634 8.341666 8.859744 0.000000 14.213094 14.602609 2.627449 10.715700 8.781982 3.181624 10.686314 9.351547 11.842073 6.801678 8.257522 10.961550 13.082591 13.291289 12.287946 6.123218 6.249694 3.999363 4.754091 4.929184 9.468977 15.278520 15.265359 2.157130 1.103616 11.888508 8.671134 10.247798 12.651158 6.844471 7.051243 4.493725 4.853439 15.665536 14.975857 16.099238 15.329143 14.810972 16.288499 10.869056 0.000000 14.784166 15.020685 3.331192 11.729864 9.831945 2.625157 11.323637 10.087993 12.480393 7.433977 8.860938 11.500099 13.645345 13.768952 12.749062 7.009503 6.601036 4.631097 5.699022 5.195889 10.417303 15.941874 15.564337 2.146138 1.099208 12.588012 9.086378 10.775938 13.042375 7.864818 7.218978 5.663065 4.778496 16.286854 15.753939 16.750410 15.667642 14.994496 16.574427 11.991873 1.803659 0.000000 14.047118 14.623311 2.641030 10.873941 8.802889 3.170874 10.723417 9.389721 11.764197 6.808489 8.264965 11.116145 13.008224 13.312052 12.420693 6.132255 6.249824 4.008393 4.765799 4.929815 9.540783 15.217521 15.130226 2.156131 1.103842 11.725864 8.650993 10.519171 12.858164 6.847990 7.048092 4.505849 4.848539 15.671776 14.995278 15.959836 15.111136 14.623355 16.182193 11.041890 1.777094 1.802711 0.000000 C19H18O6 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 324.1996999999998 AuxInfo=1/0/N:25,23,22,16,17,12,19,20,15,11,9,24,10,7,18,8,14,13,21,6,4,5,2,1,3/E:(4,5)(7,8)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.1,22.1/rA:43OOOOO1O1C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CCC3CHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7;;s8s10;s7;s1s9;s2s13;s12s14;s10;s10;s3;s16s18;s17s18;s4s5s8;s1;s2;s3s6;s24;s9;s11;s12;s15;s16;s17;s19;s20;s22;s22;s22;s23;s23;s23;s4;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5662982 0.0695133 0.0635217 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= 17391 NPrTT= 89832 LenC2= 12983 LenP2D= 40300. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 286 RedAO= T EigKep= 4.50D-04 NBF= 286 NBsUse= 286 1.00D-06 EigRej= -1.00D+00 NBFU= 286 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= 265 265 265 265 265 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 0 1 -1184.20877144672 -1184.33907936086 -0.130307914141 -1184.39513048522 -0.056051124358 -1183.90280479615 0.492325689068 -1184.61146867944 -0.708663883285 -1184.64235669036 -0.030888010927 -1184.64750927782 -0.005152587460 -1184.64815067622 -0.000641398393 -1184.64821180325 -0.000061127034 -1184.64822463727 -0.000012834016 -1184.64829756325 -0.000072925979 -1184.64830381435 -0.000006251099 -1184.64830055998 0.000003254365 -1184.64830428873 -0.000003728746 -1184.64830442300 -0.000000134277 -1184.64830442569 -0.000000002681 -1184.64830442589 -0.000000000207 -1184.64830442600 -0.000000000104 -1184.64830442592 0.000000000076 -1184.64830443 19 1.179069309111e+03 -6.729785087004e+03 2.385304006013e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 267928 IEndB= 267928 NGot= 402653184 MDV= 402483979 LenX= 402483979 LenY= 402401742 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. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 43. Will process 44 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111 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= 402652464 using IRadAn= 2. Generate precomputed XC quadrature information. Solving linear equations simultaneously, MaxMat= 0. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 620000000 NMat= 132 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 132 NMatS0= 132 NMatT0= 0 NMatD0= 132 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 132 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 129 vectors produced by pass 0 Test12= 1.76D-14 1.00D-09 XBig12= 1.40D+03 2.71D+01. AX will form 129 AO Fock derivatives at one time. 129 vectors produced by pass 1 Test12= 1.76D-14 1.00D-09 XBig12= 3.10D+02 3.48D+00. 129 vectors produced by pass 2 Test12= 1.76D-14 1.00D-09 XBig12= 1.13D+00 9.80D-02. 129 vectors produced by pass 3 Test12= 1.76D-14 1.00D-09 XBig12= 6.74D-04 1.89D-03. 102 vectors produced by pass 4 Test12= 1.76D-14 1.00D-09 XBig12= 1.04D-07 2.04D-05. 17 vectors produced by pass 5 Test12= 1.76D-14 1.00D-09 XBig12= 1.32D-11 2.83D-07. 2 vectors produced by pass 6 Test12= 1.76D-14 1.00D-09 XBig12= 3.40D-15 3.31D-09. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 637 with 132 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 279.83 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 489.083 12.431 226.627 1.195 -11.444 123.789 804.742 43.900 480.470 10.021 -47.023 219.569 (Enter /mnt/data/applications/G09/g09/l716.exe) PT5574.500S Tue Jan 9 03:23:36 2018 -18.82830 -18.80878 -18.78313 -18.78082 -18.77903 -18.76686 -10.05043 -10.04076 -9.98489 -9.96237 -9.96087 -9.94078 -9.94058 -9.93783 -9.93305 -9.93099 -9.92375 -9.92171 -9.91844 -9.91654 -9.91627 -9.91014 -9.90962 -9.90909 -9.90769 -1.02654 -1.01655 -0.96434 -0.95759 -0.94427 -0.93262 -0.79626 -0.78605 -0.74692 -0.71915 -0.69146 -0.68917 -0.68457 -0.66610 -0.63439 -0.62228 -0.61396 -0.58942 -0.56319 -0.55353 -0.54013 -0.52465 -0.50474 -0.48109 -0.46430 -0.45400 -0.45164 -0.43991 -0.43852 -0.43399 -0.42578 -0.41477 -0.41066 -0.40655 -0.40147 -0.39643 -0.39635 -0.38344 -0.38281 -0.38059 -0.37804 -0.37601 -0.37365 -0.37012 -0.35570 -0.35039 -0.34293 -0.33903 -0.32742 -0.32202 -0.32051 -0.31281 -0.30633 -0.29940 -0.29257 -0.27609 -0.26737 -0.25193 -0.24186 -0.23893 -0.23512 -0.22796 -0.21751 -0.20851 -0.19344 -0.10834 -0.06465 -0.04808 -0.04582 -0.03820 -0.02248 0.02585 0.03835 0.04500 0.05137 0.05602 0.08131 0.09304 0.09916 0.10086 0.10566 0.11182 0.11737 0.12579 0.13054 0.13452 0.14219 0.14611 0.14973 0.15429 0.16018 0.16434 0.16524 0.16653 0.16994 0.17123 0.17563 0.17884 0.18035 0.18903 0.19566 0.19967 0.21669 0.22132 0.22464 0.22875 0.23025 0.23634 0.24124 0.24311 0.25081 0.25479 0.25759 0.26127 0.26473 0.27278 0.27976 0.28759 0.28776 0.29626 0.30448 0.30789 0.30833 0.31854 0.32610 0.33211 0.33404 0.34276 0.34651 0.35286 0.35650 0.36245 0.36805 0.37067 0.37565 0.38035 0.38456 0.38951 0.39019 0.39256 0.39532 0.40585 0.40864 0.42153 0.42291 0.42672 0.43566 0.44301 0.44993 0.45639 0.46848 0.47893 0.48310 0.48677 0.50934 0.51512 0.51739 0.52388 0.53716 0.54184 0.55096 0.55360 0.57790 0.58320 0.60211 0.60943 0.61403 0.62160 0.63024 0.63910 0.64329 0.65983 0.67343 0.68338 0.68951 0.70399 0.73445 0.75048 0.75557 0.76421 0.78038 0.78851 0.79658 0.80320 0.81237 0.82786 0.83223 0.84612 0.85295 0.86362 0.88008 0.89713 0.90337 0.91728 0.92456 0.93753 0.94948 0.95498 0.96417 0.97274 0.99107 0.99700 1.01233 1.02990 1.03778 1.04208 1.04551 1.06201 1.07187 1.08291 1.08914 1.09873 1.10446 1.12558 1.13063 1.14084 1.14436 1.15813 1.17732 1.20188 1.20332 1.21886 1.23509 1.27444 1.33787 1.34499 1.38073 1.42011 1.44517 1.47641 1.61079 1.64022 1.69747 1.72265 1.75274 1.78603 22.25564 22.35790 22.39235 22.47010 22.51253 22.53464 22.53535 22.55972 22.56580 22.57957 22.59940 22.60641 22.63829 22.67682 22.70559 22.72322 22.76261 22.77266 22.78597 41.45765 41.49584 41.50937 41.54946 41.55848 41.56600 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 O O O O O O C 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 -0.308401 -0.297176 -0.277184 -0.416499 -0.276571 -0.222344 0.413069 0.127482 -0.492154 0.461760 -0.344546 -0.427444 0.218550 0.182920 -0.344510 -0.354288 -0.403329 0.356808 -0.422607 -0.351627 0.076659 -0.529522 -0.530724 0.262672 -0.748906 0.258648 0.223872 0.250859 0.250540 0.325690 0.228539 0.256735 0.304194 0.250615 0.225408 0.229610 0.257317 0.222976 0.229591 0.376815 0.254310 0.247674 0.254516 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 O O O O O O C C C C C C C C C C C C C C C C C C C -0.308401 -0.297176 -0.277184 -0.039685 -0.276571 -0.222344 0.413069 0.127482 -0.233506 0.461760 -0.120673 -0.176584 0.218550 0.182920 -0.093969 -0.028598 -0.174790 0.356808 -0.165872 -0.047433 0.076659 0.176111 0.179160 0.262672 0.007594 0.00000 6.60380241e-02 2.15261270e-01 4.39319628e-02 4.89082714e+02 1.24310050e+01 2.26627269e+02 1.19477212e+00 -1.14435046e+01 1.23788848e+02 -10.0210 -3.9487 -0.9478 -0.0012 -0.0009 0.0007 12.2489 24.0147 29.5391 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 11.5758 24.0019 29.5296 36.1578 45.2571 60.5514 71.3494 78.4349 83.0534 103.7643 110.4748 127.8253 138.9132 156.5056 163.0203 167.7995 174.8035 189.6304 226.2529 249.3334 263.7168 300.5507 317.0413 340.5641 344.8735 361.9211 382.9350 406.8368 422.5003 435.1140 452.0457 489.7255 511.2723 532.5221 542.9643 554.4812 576.7659 597.8183 612.4153 624.9770 651.5529 664.1746 709.1905 712.8703 733.7477 739.1379 749.5074 761.9713 792.2736 832.9463 841.0160 863.0642 867.8036 884.2878 897.7107 940.6576 941.9342 952.7248 956.3573 982.3831 992.7830 1001.6776 1008.6424 1015.4123 1039.8941 1047.7853 1092.0694 1112.6379 1113.1159 1123.7338 1148.3708 1152.0289 1154.1946 1160.8276 1175.0750 1205.3105 1218.4695 1222.3164 1250.5930 1268.2255 1290.3225 1319.9321 1345.8056 1367.5926 1384.4034 1394.2437 1417.1373 1423.1443 1430.2631 1440.4253 1451.8103 1453.0543 1457.0782 1459.3844 1476.8824 1482.8404 1487.5980 1488.0145 1555.9858 1559.1595 1582.1409 1607.6684 1609.0864 1623.7850 1661.7526 2971.5034 2973.8571 3008.6138 3067.1616 3071.4531 3083.0988 3096.5525 3120.6946 3122.5675 3126.5003 3137.2246 3145.3897 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