Gaussian 09 GINC-KIMIK2022 CBGUSER 000291490 EM64L-G09RevD.01 9-Apr-2018 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 356.2463999999997 0 1 AuxInfo=1/0/N:25,26,17,19,18,20,11,13,12,14,21,22,23,24,9,10,7,8,15,16,27,28,5,6,3,4,1,2/E:(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)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.3,18.3,19.3,20.3,21.3,22.3,23.2,24.2,25.1,26.1/rA:46OOO1O1N2N2C3C3CCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;s1s7;s2s8;s7;s8;s7;s8;s5;s6;s11;s12;s13;s14;s15;s15;s16s21;s16s22;s17s19;s18s20;s1s3s5;s2s4s6;s9;s9;s10;s10;s11;s12;s13;s14;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-24906.inp" -scrdir="/scratch/" chk=000291490.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 000291490 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 16 16 16 16 14 14 12 12 12 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 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 2 2 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 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 R45 R46 R47 R48 1 1 2 2 3 4 5 5 6 6 7 7 7 8 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 24 25 26 9 27 10 28 27 28 15 27 16 28 9 11 13 10 12 14 29 30 31 32 17 33 18 34 19 35 20 36 21 22 23 24 25 37 26 38 25 39 26 40 23 41 24 42 43 44 45 46 1.4633 1.3843 1.4633 1.3843 1.2037 1.2037 1.2952 1.4218 1.2952 1.4218 1.5019 1.4031 1.4018 1.5019 1.4018 1.4031 1.1071 1.1065 1.1065 1.1071 1.3966 1.0944 1.3981 1.0888 1.3981 1.0888 1.3966 1.0944 1.4865 1.4873 1.4865 1.4873 1.3992 1.0894 1.3984 1.0887 1.3984 1.0887 1.3992 1.0894 1.3389 1.0969 1.3374 1.0986 1.0969 1.0986 1.0888 1.0888 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 9 10 15 16 9 9 11 10 10 12 1 1 1 7 7 29 2 2 2 8 8 31 7 7 17 8 8 18 7 7 19 8 8 20 5 5 21 6 6 23 11 11 25 12 12 26 13 13 25 14 14 26 15 15 23 15 15 24 16 16 21 16 16 22 17 17 19 18 18 20 1 1 3 2 2 4 1 2 5 6 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 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 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 27 28 27 28 11 13 13 12 14 14 7 29 30 29 30 30 8 31 32 31 32 32 17 33 33 18 34 34 19 35 35 20 36 36 21 22 22 23 24 24 25 37 37 26 38 38 25 39 39 26 40 40 23 41 41 24 42 42 21 43 43 22 44 44 19 45 45 20 46 46 3 5 5 4 6 6 117.658 117.6582 126.9407 126.9402 119.8324 120.2614 119.9062 120.2612 119.8325 119.9063 109.0211 109.1961 101.2568 112.8012 113.861 110.015 109.022 101.2566 109.1959 113.8607 112.8012 110.0148 119.9617 119.7637 120.2731 119.9098 120.2517 119.8384 119.9098 120.2519 119.8382 119.9616 119.764 120.2729 116.9261 126.3926 116.674 116.9258 126.3931 116.6739 120.105 119.8475 120.0475 120.1361 119.8677 119.9963 120.1361 119.8674 119.9964 120.1051 119.8472 120.0477 121.5227 115.975 122.501 121.5376 116.1409 122.3081 121.5227 115.975 122.501 121.5378 116.1409 122.308 119.9797 119.9867 120.0336 119.9797 120.0333 119.987 124.081 109.0784 126.6353 124.0815 109.0784 126.6348 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 27 27 27 9 9 28 28 28 10 10 27 27 15 15 28 28 16 16 11 11 11 13 13 13 9 9 13 13 9 9 11 11 12 12 12 14 14 14 10 10 14 14 10 10 12 12 7 7 33 33 8 8 34 34 7 7 35 35 8 8 36 36 5 5 22 22 5 5 21 21 6 6 24 24 6 6 23 23 11 11 37 37 12 12 38 38 13 13 39 39 14 14 40 40 15 15 41 41 15 15 42 42 1 1 1 1 1 2 2 2 2 2 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 9 9 9 27 27 10 10 10 28 28 15 15 27 27 16 16 28 28 9 9 9 9 9 9 11 11 11 11 13 13 13 13 10 10 10 10 10 10 12 12 12 12 14 14 14 14 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 25 25 25 25 26 26 26 26 23 23 23 23 24 24 24 24 7 29 30 3 5 8 31 32 4 6 21 22 1 3 23 24 2 4 1 29 30 1 29 30 17 33 17 33 19 35 19 35 2 31 32 2 31 32 18 34 18 34 20 36 20 36 25 37 25 37 26 38 26 38 25 39 25 39 26 40 26 40 23 41 23 41 24 42 24 42 21 43 21 43 22 44 22 44 19 45 19 45 20 46 20 46 17 45 17 45 18 46 18 46 16 43 16 43 16 44 16 44 87.3833 -36.2638 -152.2926 -0.3735 174.7183 -87.3797 152.2962 36.2679 0.3719 -174.7189 179.4567 0.4692 53.9316 -131.1348 -179.4559 -0.4675 -53.9332 131.1342 -82.5304 38.9495 165.2434 97.4789 -141.0412 -14.7473 -179.6751 0.7648 0.3157 -179.2445 179.5476 -0.4512 -0.4431 179.5581 -97.4778 14.7486 141.0419 82.5316 -165.242 -38.9487 -179.5478 0.451 0.4428 -179.5584 179.6754 -0.7644 -0.3152 179.245 0.0045 179.9434 179.5624 -0.4987 -0.2511 179.7185 179.7501 -0.2803 0.2511 -179.7187 -179.7501 0.2801 -0.0047 -179.944 -179.5627 0.4981 -173.2542 6.3459 5.8338 -174.5661 173.1548 -8.1461 -5.835 172.8641 173.2546 -6.3453 -5.8341 174.566 -173.1559 8.1449 5.8347 -172.8645 -0.1973 179.7872 179.864 -0.1516 -0.069 179.9154 179.9614 -0.0542 0.0691 -179.9153 -179.9611 0.0545 0.1973 -179.7872 -179.8636 0.152 0.0003 179.5739 -179.5734 0.0002 0.0003 178.6187 -178.618 0.0004 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 236 276 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 46 46 46 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= 20910 NPrTT= 108522 LenC2= 17011 LenP2D= 51521. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 316 RedAO= T EigKep= 6.29D-04 NBF= 316 NBsUse= 316 1.00D-06 EigRej= -1.00D+00 NBFU= 316 Using GEDIIS/GDIIS optimizer. local minimum Step number 15 out of a maximum of 236 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00111 0.00546 0.00766 0.00921 0.01000 0.01065 0.01150 0.01376 0.01533 0.01540 0.01691 0.01732 0.01938 0.01962 0.02021 0.02065 0.02072 0.02088 0.02091 0.02093 0.02102 0.02103 0.02104 0.02105 0.02109 0.02111 0.02112 0.02114 0.02118 0.02121 0.02134 0.02262 0.02296 0.02322 0.02657 0.03466 0.03766 0.06483 0.06929 0.06989 0.07532 0.09312 0.09859 0.11506 0.11815 0.13976 0.14070 0.15479 0.15975 0.15991 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16002 0.16002 0.16004 0.16010 0.16030 0.21070 0.21970 0.22000 0.22004 0.22012 0.22098 0.22368 0.22556 0.22897 0.23086 0.23507 0.23613 0.24408 0.24680 0.24914 0.25007 0.25038 0.25146 0.25321 0.25991 0.26854 0.27052 0.28236 0.31126 0.32187 0.32212 0.32714 0.32917 0.32934 0.33031 0.33130 0.33238 0.33809 0.33855 0.33891 0.34024 0.34034 0.34258 0.34394 0.34886 0.34897 0.34949 0.34950 0.34952 0.34959 0.34966 0.35197 0.35872 0.36930 0.39879 0.41684 0.41692 0.41713 0.41826 0.42735 0.45319 0.45352 0.45549 0.45849 0.45860 0.45939 0.46088 0.48455 0.49045 0.50811 0.53837 0.59087 0.65173 0.68526 0.86520 1.03237 RFO step: Lambda=-6.73972162D-09. 1 2 0.00112593 0.00000087 0.00000023 0.00000000 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 R45 R46 R47 R48 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 2.85989 2.64484 2.85991 2.64536 2.37426 2.37415 2.50139 2.65004 2.50157 2.65014 2.85744 2.68347 2.68019 2.85745 2.68016 2.68352 2.08545 2.08044 2.08045 2.08550 2.66888 2.07074 2.66981 2.07304 2.66979 2.07302 2.66885 2.07076 2.77740 2.79113 2.77738 2.79111 2.67426 2.07042 2.67284 2.07046 2.67290 2.07046 2.67429 2.07043 2.58827 2.06703 2.58801 2.07064 2.06703 2.07065 2.07084 2.07085 2.01786 2.01804 2.18722 2.18656 2.10254 2.10004 2.08061 2.10001 2.10262 2.08055 1.94001 1.87799 1.78964 1.95591 1.95903 1.93291 1.93975 1.79013 1.87771 1.95887 1.95617 1.93286 2.09916 2.07966 2.10432 2.10365 2.08664 2.09289 2.10360 2.08660 2.09298 2.09915 2.07967 2.10433 2.05226 2.17412 2.05679 2.05214 2.17420 2.05682 2.09762 2.09107 2.09448 2.09382 2.09394 2.09542 2.09381 2.09396 2.09541 2.09769 2.09103 2.09445 2.11464 2.03584 2.13271 2.11176 2.06244 2.10894 2.11466 2.03580 2.13272 2.11170 2.06247 2.10898 2.09156 2.09608 2.09553 2.09150 2.09557 2.09611 2.17756 1.93206 2.16866 2.17739 1.93207 2.16886 1.58594 -0.56167 -2.60067 -0.01571 3.02314 -1.59114 2.59550 0.55643 0.01780 -3.02166 3.11496 -0.01887 1.40272 -1.84098 -3.11756 0.01592 -1.39032 1.85281 -1.52478 0.57739 2.76541 1.61767 -2.56334 -0.37533 3.13943 0.00739 -0.00301 -3.13505 -3.14050 0.00028 0.00194 -3.14047 -1.62584 0.36750 2.55553 1.51620 -2.77365 -0.58561 3.14025 -0.00071 -0.00178 3.14044 -3.13890 -0.00667 0.00313 3.13536 0.00258 3.13894 3.13449 -0.01233 0.00012 3.13764 3.14108 -0.00459 -0.00042 -3.13786 -3.14120 0.00455 -0.00283 -3.13915 -3.13493 0.01194 -3.13147 0.00604 0.00290 3.14041 3.13100 -0.02074 -0.00282 3.12863 3.13121 -0.00622 -0.00283 -3.14025 -3.13056 0.02149 0.00290 -3.12823 -0.00104 3.13677 -3.13739 0.00042 0.00021 3.13807 -3.13730 0.00055 -0.00004 -3.13785 3.13739 -0.00041 0.00114 -3.13671 3.13745 -0.00040 -0.00007 3.13712 -3.13736 -0.00016 -0.00007 3.13078 -3.13125 -0.00040 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00002 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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0.00001 0.00025 0.00024 0.00023 0.00003 -0.00002 -0.00001 -0.00003 -0.00004 0.00010 0.00011 0.00012 0.00007 -0.00031 -0.00036 0.00001 0.00008 0.00030 0.00032 0.00001 0.00002 0.00002 0.00001 0.00002 0.00002 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00000 -0.00007 -0.00005 -0.00005 -0.00009 -0.00007 -0.00007 -0.00001 -0.00002 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00002 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00009 -0.00005 -0.00005 -0.00001 0.00005 0.00008 0.00000 0.00003 0.00006 0.00008 0.00000 0.00002 -0.00011 -0.00007 -0.00005 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00005 0.00003 0.00001 -0.00002 0.00005 0.00001 0.00001 -0.00003 -0.00001 -0.00003 -0.00004 -0.00005 0.00000 0.00000 -0.00001 0.00002 -0.00003 -0.00004 0.00001 0.00000 0.00000 0.00001 -0.00002 0.00002 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0.00087 0.00033 0.00039 -0.00103 -0.00100 -0.00019 -0.00021 -0.00022 -0.00027 -0.00028 -0.00029 -0.00007 -0.00001 0.00001 0.00006 0.00005 0.00007 -0.00002 0.00000 -0.00015 -0.00013 -0.00018 -0.00013 -0.00011 -0.00017 -0.00001 0.00002 -0.00003 0.00000 0.00000 0.00007 0.00002 0.00009 0.00001 0.00004 -0.00005 -0.00002 0.00002 0.00002 -0.00001 -0.00001 0.00002 0.00001 0.00000 -0.00001 -0.00001 0.00004 -0.00008 -0.00003 0.00015 0.00006 0.00015 0.00007 -0.00014 -0.00015 -0.00015 -0.00015 -0.00008 -0.00008 -0.00014 -0.00014 0.00008 0.00001 0.00015 0.00008 0.00000 0.00001 -0.00003 -0.00002 -0.00001 -0.00003 0.00000 -0.00002 -0.00001 -0.00003 0.00001 -0.00001 0.00000 0.00002 -0.00005 -0.00003 -0.00001 -0.00001 0.00008 0.00008 0.00000 0.00007 0.00000 0.00008 -0.00003 -0.00002 -0.00007 -0.00003 -0.00001 -0.00001 0.00000 0.00000 -0.00002 -0.00006 0.00002 0.00000 0.00000 0.00002 -0.00002 0.00002 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00002 0.00000 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00009 -0.00002 0.00002 0.00000 0.00004 -0.00005 0.00001 -0.00004 0.00002 0.00003 0.00000 0.00001 -0.00001 -0.00002 0.00004 0.00004 0.00000 -0.00004 -0.00002 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00004 0.00001 0.00004 -0.00006 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00002 0.00000 -0.00001 0.00002 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00004 0.00003 0.00003 -0.00001 -0.00002 0.00035 0.00036 0.00036 0.00010 0.00011 -0.00018 -0.00020 -0.00022 0.00015 0.00019 0.00004 -0.00001 0.00051 0.00052 0.00034 0.00047 -0.00072 -0.00068 -0.00018 -0.00019 -0.00020 -0.00026 -0.00026 -0.00027 -0.00007 -0.00002 0.00000 0.00005 0.00006 0.00008 -0.00001 0.00000 -0.00022 -0.00018 -0.00023 -0.00022 -0.00018 -0.00023 -0.00003 0.00000 -0.00002 0.00000 0.00002 0.00008 0.00002 0.00007 0.00001 0.00003 -0.00005 -0.00002 0.00002 0.00001 -0.00001 -0.00001 0.00002 0.00000 0.00000 -0.00001 0.00000 0.00003 -0.00006 -0.00003 0.00006 0.00001 0.00011 0.00006 -0.00010 -0.00007 -0.00015 -0.00012 -0.00002 0.00000 -0.00015 -0.00012 -0.00003 -0.00007 0.00010 0.00007 0.00000 0.00001 -0.00003 -0.00001 0.00000 -0.00002 0.00000 -0.00002 -0.00001 -0.00002 0.00001 -0.00001 0.00000 0.00001 -0.00004 -0.00002 0.00004 0.00001 0.00009 0.00006 0.00004 0.00008 0.00002 0.00005 2.85986 2.64482 2.85984 2.64532 2.37425 2.37414 2.50139 2.65004 2.50155 2.65008 2.85745 2.68347 2.68019 2.85747 2.68014 2.68354 2.08545 2.08044 2.08045 2.08550 2.66889 2.07075 2.66982 2.07304 2.66979 2.07302 2.66885 2.07077 2.77738 2.79113 2.77737 2.79112 2.67426 2.07042 2.67284 2.07047 2.67290 2.07046 2.67430 2.07043 2.58828 2.06703 2.58802 2.07065 2.06703 2.07065 2.07084 2.07085 2.01786 2.01805 2.18723 2.18666 2.10252 2.10006 2.08061 2.10005 2.10257 2.08056 1.93997 1.87801 1.78966 1.95591 1.95904 1.93289 1.93973 1.79017 1.87775 1.95887 1.95613 1.93285 2.09917 2.07966 2.10432 2.10364 2.08665 2.09289 2.10360 2.08660 2.09298 2.09915 2.07966 2.10433 2.05228 2.17408 2.05680 2.05218 2.17414 2.05683 2.09762 2.09107 2.09449 2.09383 2.09393 2.09542 2.09381 2.09396 2.09541 2.09768 2.09104 2.09445 2.11463 2.03584 2.13270 2.11175 2.06246 2.10893 2.11465 2.03582 2.13271 2.11169 2.06246 2.10899 2.09156 2.09608 2.09553 2.09150 2.09556 2.09611 2.17757 1.93202 2.16868 2.17742 1.93206 2.16884 1.58629 -0.56131 -2.60031 -0.01561 3.02324 -1.59132 2.59530 0.55622 0.01795 -3.02146 3.11500 -0.01889 1.40324 -1.84047 -3.11722 0.01639 -1.39104 1.85213 -1.52497 0.57721 2.76521 1.61741 -2.56360 -0.37560 3.13936 0.00737 -0.00301 -3.13500 -3.14044 0.00035 0.00192 -3.14046 -1.62607 0.36732 2.55530 1.51597 -2.77383 -0.58585 3.14022 -0.00071 -0.00181 3.14044 -3.13888 -0.00660 0.00315 3.13543 0.00258 3.13897 3.13444 -0.01236 0.00014 3.13765 3.14107 -0.00460 -0.00041 -3.13786 -3.14120 0.00453 -0.00284 -3.13912 -3.13499 0.01191 -3.13141 0.00606 0.00301 3.14047 3.13090 -0.02081 -0.00297 3.12850 3.13119 -0.00621 -0.00297 -3.14038 -3.13060 0.02142 0.00300 -3.12817 -0.00104 3.13678 -3.13742 0.00040 0.00021 3.13805 -3.13730 0.00054 -0.00005 -3.13787 3.13740 -0.00042 0.00114 -3.13670 3.13741 -0.00043 -0.00004 3.13713 -3.13727 -0.00010 -0.00003 3.13086 -3.13123 -0.00035 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000020 0.000004 0.004097 0.001126 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.693527e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 1 2 2 3 4 5 5 6 6 7 7 7 8 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 24 25 26 9 27 10 28 27 28 15 27 16 28 9 11 13 10 12 14 29 30 31 32 17 33 18 34 19 35 20 36 21 22 23 24 25 37 26 38 25 39 26 40 23 41 24 42 43 44 45 46 1.5134 1.3996 1.5134 1.3999 1.2564 1.2563 1.3237 1.4023 1.3238 1.4024 1.5121 1.42 1.4183 1.5121 1.4183 1.4201 1.1036 1.1009 1.1009 1.1036 1.4123 1.0958 1.4128 1.097 1.4128 1.097 1.4123 1.0958 1.4697 1.477 1.4697 1.477 1.4152 1.0956 1.4144 1.0956 1.4144 1.0956 1.4152 1.0956 1.3697 1.0938 1.3695 1.0957 1.0938 1.0957 1.0958 1.0958 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 9 10 15 16 9 9 11 10 10 12 1 1 1 7 7 29 2 2 2 8 8 31 7 7 17 8 8 18 7 7 19 8 8 20 5 5 21 6 6 23 11 11 25 12 12 26 13 13 25 14 14 26 15 15 23 15 15 24 16 16 21 16 16 22 17 17 19 18 18 20 1 1 3 2 2 4 1 2 5 6 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 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 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 27 28 27 28 11 13 13 12 14 14 7 29 30 29 30 30 8 31 32 31 32 32 17 33 33 18 34 34 19 35 35 20 36 36 21 22 22 23 24 24 25 37 37 26 38 38 25 39 39 26 40 40 23 41 41 24 42 42 21 43 43 22 44 44 19 45 45 20 46 46 3 5 5 4 6 6 115.6147 115.6251 125.3184 125.2809 120.4667 120.3233 119.21 120.3215 120.4715 119.207 111.1545 107.6011 102.5387 112.0657 112.244 110.7474 111.1394 102.567 107.5851 112.2349 112.0803 110.7449 120.2733 119.1555 120.5689 120.5304 119.5557 119.9139 120.5275 119.5535 119.9189 120.2724 119.1561 120.5693 117.5856 124.5677 117.8454 117.5788 124.5726 117.8471 120.1848 119.8094 120.005 119.9671 119.9737 120.0588 119.9664 119.9749 120.0582 120.1886 119.8073 120.0034 121.1597 116.6449 122.195 120.9952 118.1691 120.8331 121.1611 116.6426 122.1959 120.9912 118.1706 120.8354 119.8377 120.0968 120.0651 119.8343 120.0673 120.098 124.7651 110.6987 124.2548 124.7555 110.6996 124.2668 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 27 27 27 9 9 28 28 28 10 10 27 27 15 15 28 28 16 16 11 11 11 13 13 13 9 9 13 13 9 9 11 11 12 12 12 14 14 14 10 10 14 14 10 10 12 12 7 7 33 33 8 8 34 34 7 7 35 35 8 8 36 36 5 5 22 22 5 5 21 21 6 6 24 24 6 6 23 23 11 11 37 37 12 12 38 38 13 13 39 39 14 14 40 40 15 15 41 41 15 15 42 1 1 1 1 1 2 2 2 2 2 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 9 9 9 27 27 10 10 10 28 28 15 15 27 27 16 16 28 28 9 9 9 9 9 9 11 11 11 11 13 13 13 13 10 10 10 10 10 10 12 12 12 12 14 14 14 14 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 25 25 25 25 26 26 26 26 23 23 23 23 24 24 24 7 29 30 3 5 8 31 32 4 6 21 22 1 3 23 24 2 4 1 29 30 1 29 30 17 33 17 33 19 35 19 35 2 31 32 2 31 32 18 34 18 34 20 36 20 36 25 37 25 37 26 38 26 38 25 39 25 39 26 40 26 40 23 41 23 41 24 42 24 42 21 43 21 43 22 44 22 44 19 45 19 45 20 46 20 46 17 45 17 45 18 46 18 46 16 43 16 43 16 44 16 90.8676 -32.1815 -149.0076 -0.9003 173.2129 -91.1658 148.7111 31.8813 1.02 -173.1283 178.4742 -1.0815 80.3702 -105.4805 -178.623 0.9122 -79.6594 106.158 -87.3637 33.0821 158.4461 92.6854 -146.8688 -21.5048 179.8762 0.4232 -0.1723 -179.6254 -179.9376 0.016 0.1109 -179.9355 -93.1539 21.0564 146.4213 86.8716 -158.9182 -33.5532 179.923 -0.0407 -0.1021 179.9342 -179.8456 -0.3823 0.1795 179.6429 0.1476 179.848 179.5929 -0.7067 0.007 179.7734 179.9706 -0.263 -0.0243 -179.7862 -179.9777 0.2604 -0.1623 -179.8602 -179.618 0.6841 -179.42 0.3462 0.1662 179.9324 179.393 -1.1883 -0.1616 179.257 179.4053 -0.3561 -0.1619 -179.9233 -179.3681 1.2313 0.1659 -179.2346 -0.0594 179.7236 -179.7592 0.0238 0.012 179.7979 -179.7542 0.0317 -0.0022 -179.7853 179.7594 -0.0237 0.0655 -179.7203 179.7628 -0.023 -0.0043 179.7437 -179.7573 -0.0094 -0.0043 179.3803 -179.4074 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 0 0 356.2463999999997 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4.926432 9.228967 6.502407 9.021682 3.447248 8.470653 4.719668 9.517211 2.175646 8.276680 3.919832 7.957894 6.712397 8.092486 1.095618 7.554629 3.441734 7.201794 8.125941 5.889305 8.701253 6.660640 2.180311 6.980659 5.390419 8.977948 4.822196 5.575935 10.211629 10.149783 2.514290 8.903098 5.016826 8.369171 0.000000 8.530454 5.428683 9.706901 6.737638 9.225145 7.325250 7.764627 3.449369 8.804530 4.718841 7.919671 2.177876 6.906667 3.924643 8.417626 7.377384 7.261117 1.095642 6.142202 3.442199 9.125066 7.043538 8.688018 6.467346 6.342472 2.180232 9.077187 6.396934 9.751861 9.062386 4.776747 5.538116 8.755483 2.507269 7.074887 5.020396 7.682694 0.000000 5.424385 8.514211 6.728471 9.713330 7.314074 9.221511 3.449350 7.754760 4.718863 8.789363 3.924637 6.897577 2.177873 7.914689 7.368163 8.412234 3.442228 6.140318 1.095638 7.262474 8.678526 6.460963 9.117211 7.039141 2.180249 6.346292 6.387779 9.074558 5.539652 4.778297 9.040039 9.740641 5.020377 7.061929 2.507350 8.749908 4.348320 5.691943 0.000000 9.076144 5.367108 9.205391 4.929680 9.009689 6.497835 8.472058 3.447243 9.518400 4.719720 7.958146 3.919767 8.279805 2.175614 8.081580 6.705241 7.202699 3.441686 7.558369 1.095626 8.691608 6.649928 8.117919 5.880423 6.983422 2.180315 8.965428 5.388336 10.145118 10.218225 5.577101 4.824747 8.367932 5.016771 8.906890 2.514252 7.054466 4.348300 7.687557 0.000000 4.684728 6.413906 4.781835 6.686037 2.580656 4.548244 6.966173 8.368190 6.161849 7.903980 7.320228 8.882415 7.727179 8.633588 2.190547 3.482375 8.341699 9.597252 8.702946 9.365068 1.093828 3.498343 2.160756 3.963668 8.983810 9.825227 3.981229 5.859860 6.384989 6.580789 8.339635 8.329284 7.010299 8.931298 7.756672 8.477055 8.816582 10.162095 9.415624 9.770272 0.000000 2.902132 5.218216 3.341879 5.715844 2.748183 4.620118 3.673796 5.880183 3.868674 6.244751 3.737673 6.049372 4.223139 5.879300 2.215897 3.480764 4.328768 6.214351 4.756881 6.046115 3.509822 1.095738 3.966474 2.148133 4.805118 6.213077 2.683319 5.037287 4.456060 4.624785 6.863737 6.923432 3.852946 6.395821 4.667032 6.100001 4.837873 6.673796 5.505354 6.393465 4.390309 0.000000 6.419832 4.683725 6.681895 4.782956 4.548254 2.580528 8.371329 6.966930 7.909118 6.160956 8.641655 7.734210 8.879353 7.315321 3.482374 2.190515 9.371582 8.710213 9.593220 8.338213 2.160764 3.963608 1.093828 3.498329 9.825843 8.986168 5.860028 3.981221 8.332839 8.347607 6.578565 6.384024 8.489848 7.767874 8.924412 7.000019 9.780138 9.426473 10.154069 8.809511 2.535256 5.059078 0.000000 5.231225 2.889514 5.708476 3.348433 4.620020 2.748357 5.889490 3.667024 6.256111 3.858852 5.891512 4.222887 6.053537 3.727507 3.480821 2.215908 6.056087 4.759060 6.216214 4.322327 3.966529 2.148159 3.509836 1.095739 6.217852 4.804433 5.037905 2.682653 6.931355 6.878916 4.612617 4.448800 6.115224 4.669037 6.397652 3.838588 6.405169 5.510707 6.671919 4.829831 5.059135 2.492771 4.390294 0.000000 6.157914 8.864862 6.602273 9.486307 7.673437 9.416663 3.935556 7.812684 5.447644 9.034507 3.443631 7.229328 3.441390 7.514444 7.691668 8.644351 2.181481 6.258910 2.180493 6.584298 9.070085 6.637762 9.467863 7.171683 1.095843 5.890346 6.656246 9.140991 5.951952 5.950897 9.542036 9.802865 4.353513 7.747625 4.347254 8.213936 2.512572 6.069189 2.512219 6.651625 9.872948 5.579140 10.541560 6.674377 0.000000 8.876057 6.157352 9.472164 6.609906 9.413798 7.677770 7.820925 3.935626 9.044690 5.447719 7.518115 3.441404 7.240094 3.443673 8.642997 7.694002 6.585070 2.180491 6.267489 2.181513 9.468126 7.170262 9.071890 6.638305 5.893376 1.095844 9.137365 6.660815 9.807681 9.558595 5.950863 5.952450 8.215887 4.347227 7.761382 4.353552 6.648248 2.512238 6.079568 2.512589 10.541663 6.671319 9.875660 5.579987 5.373715 0.000000 0.1945939 0.1066024 0.0748178 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= 303 303 303 303 303 MxSgAt= 46 MxSgA2= 46. 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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= 20910 NPrTT= 108522 LenC2= 16758 LenP2D= 50410. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 316 RedAO= T EigKep= 6.56D-04 NBF= 316 NBsUse= 316 1.00D-06 EigRej= -1.00D+00 NBFU= 316 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= 303 303 303 303 303 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -1257.40320693982 -1257.51207296438 -0.108866024559 -1257.49661795200 0.015455012387 -1257.14155050740 0.355067444600 -1257.84804643818 -0.706495930780 -1257.86058153292 -0.012535094745 -1257.86426649425 -0.003684961327 -1257.86458549340 -0.000318999154 -1257.86466144409 -0.000075950688 -1257.86467082259 -0.000009378504 -1257.86486824797 -0.000197425377 -1257.86484014941 0.000028098566 -1257.86487701114 -0.000036861739 -1257.86488328232 -0.000006271177 -1257.86488507055 -0.000001788233 -1257.86488511515 -0.000000044596 -1257.86488511733 -0.000000002181 -1257.86488511734 -0.000000000009 -1257.86488511735 -0.000000000012 -1257.86488512 19 1.253130341419e+03 -7.667192640345e+03 2.789245724614e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 322002 IEndB= 322002 NGot= 939524096 MDV= 939318907 LenX= 939318907 LenY= 939218610 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. -6.26451200e-03 1.52575204e+00 -1.27653199e+00 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 8 8 8 8 7 7 6 6 6 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 0.013661583 -0.010785084 -0.012941969 -0.014016134 -0.010656862 -0.012647478 -0.048404569 0.009099865 0.050454008 0.049511759 0.008676140 0.049451191 -0.034729451 -0.001891731 0.008138567 0.034875237 -0.002193636 0.007425956 -0.008167294 -0.005353835 -0.007397581 0.007998869 -0.005427445 -0.007558655 -0.009750914 0.002422382 -0.010709077 0.009521997 0.002351493 -0.010920307 -0.006789396 -0.005131974 0.009260501 -0.001902540 0.000024107 -0.005770061 0.001800123 0.000013330 -0.005804687 0.006927453 -0.005178520 0.009144514 0.031735516 -0.002218388 -0.002383358 -0.031797138 -0.001943988 -0.001738934 -0.001135830 0.001941767 0.009901767 -0.006169509 0.006584500 -0.006369236 0.006099876 0.006539632 -0.006492919 0.001334557 0.001930223 0.009873692 -0.033848717 0.002614970 -0.001967767 -0.036890309 0.001458865 0.001859572 0.033817729 0.002304780 -0.002661778 0.036933327 0.001119780 0.001102797 0.003485416 0.009363184 0.004260535 -0.003322282 0.009394816 0.004327170 0.053918494 -0.022232425 -0.037652182 -0.054874938 -0.021751135 -0.036537133 0.001296346 0.000937170 0.000454882 -0.003104206 0.005639269 0.002707644 0.003209239 0.005608569 0.002643083 -0.001266342 0.000927434 0.000469627 -0.000659727 -0.000002407 -0.000754006 -0.000202076 -0.001648157 -0.005169297 0.000077953 -0.001649792 -0.005171811 0.000637985 -0.000005787 -0.000764272 -0.000782047 0.000986684 0.003996249 -0.002407952 0.003361184 -0.002632629 0.002382441 0.003339222 -0.002679749 0.000873903 0.000979889 0.003979874 0.000413819 0.001811138 0.000942313 0.003380650 -0.000855587 0.000972454 -0.000376685 0.001814083 0.000951857 -0.003370419 -0.000833467 0.001043091 0.001520094 0.004252065 0.001666954 -0.001445888 0.004263680 0.001696587 0.054874938 0.015297176 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1257.88739402778 -1257.88740372772 -0.000009699937 -1257.88740364872 0.000000078996 -1257.88740373374 -0.000000085022 -1257.88740375138 -0.000000017642 -1257.88740375921 -0.000000007826 -1257.88740376072 -0.000000001505 -1257.88740376079 -0.000000000079 -1257.88740376077 0.000000000020 -1257.88740376 9 1.251812868197e+03 -7.566322897537e+03 2.739649132728e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 322002 IEndB= 322002 NGot= 939524096 MDV= 939318907 LenX= 939318907 LenY= 939218610 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. (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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 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 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 V V V V V V V V V V V V V V V V V V V V V V -18.813624 -18.813599 -18.768795 -18.768778 -14.039820 -14.039785 -10.057962 -10.057954 -9.998352 -9.998319 -9.966070 -9.966065 -9.951056 -9.950597 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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 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0.51565 0.25348 0.51564 0.25346 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 44 45 46 O O O O N N C C C 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 -0.248009 -0.248609 -0.230426 -0.230210 -0.021547 -0.021302 0.458986 0.459653 -0.479718 -0.479706 -0.363614 -0.381570 -0.380763 -0.363757 0.142033 0.141793 -0.231364 -0.225053 -0.225170 -0.231246 -0.285288 -0.236077 -0.285402 -0.235754 -0.230670 -0.230720 0.112242 0.112056 0.246335 0.229089 0.229092 0.246491 0.275578 0.235649 0.235749 0.275802 0.231630 0.228795 0.228781 0.231639 0.273459 0.267882 0.273464 0.268014 0.230871 0.230892 0.00000 -1.03077597e-02 1.62759649e+00 -1.11265982e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.0262 4.1369 -2.8281 5.0113 -173.7817 -148.6234 -159.8502 0.2304 0.1097 5.0546 -13.0299 12.1283 0.9015 0.2304 0.1097 5.0546 -2.6362 -20.0702 -58.3220 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0.000001469 0.000002102 -0.000003561 -0.000000013 0.000001764 -0.000004437 356.2463999999997 AuxInfo=1/0/N:25,26,17,19,18,20,11,13,12,14,21,22,23,24,9,10,7,8,15,16,27,28,5,6,3,4,1,2/E:(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)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.3,18.3,19.3,20.3,21.3,22.3,23.2,24.2,25.1,26.1/rA:46OOO1O1N2N2C3C3CCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;s1s7;s2s8;s7;s8;s7;s8;s5;s6;s11;s12;s13;s14;s15;s15;s16s21;s16s22;s17s19;s18s20;s1s3s5;s2s4s6;s9;s9;s10;s10;s11;s12;s13;s14;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2022 CBGUSER 000291490 EM64L-G09RevD.01 9-Apr-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 132 C1[X(C22H18N2O4)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 356.2463999999997 0 1 AuxInfo=1/0/N:25,26,17,19,18,20,11,13,12,14,21,22,23,24,9,10,7,8,15,16,27,28,5,6,3,4,1,2/E:(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)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.3,18.3,19.3,20.3,21.3,22.3,23.2,24.2,25.1,26.1/rA:46OOO1O1N2N2C3C3CCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;s1s7;s2s8;s7;s8;s7;s8;s5;s6;s11;s12;s13;s14;s15;s15;s16s21;s16s22;s17s19;s18s20;s1s3s5;s2s4s6;s9;s9;s10;s10;s11;s12;s13;s14;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-25851.inp" -scrdir="/scratch/" chk=000291490-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 000291490 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 16 16 16 16 14 14 12 12 12 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 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 2 2 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 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| 0.000138 0.000027 0.081382 0.025572 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -3.901188e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2316.9734974070 316 744 316 98 98 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 46 46 46 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 0 0 0 356.2463999999997 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8.704475 1.513400 9.534342 2.790531 8.193913 3.693284 9.189970 1.512096 9.683697 0.000000 3.324145 8.604299 3.293338 9.082060 4.830091 8.328492 1.420032 8.516340 2.545653 9.322471 0.000000 8.283656 3.372837 9.348558 4.766856 8.446890 5.451117 8.124674 1.418280 8.917161 2.542308 8.283150 0.000000 3.368916 8.273947 4.759764 9.360144 5.442739 8.448793 1.418293 8.121193 2.542339 8.908965 2.448221 7.536312 0.000000 8.606431 3.319525 9.060933 3.295975 8.317405 4.826834 8.515777 1.420057 9.323340 2.545740 8.306336 2.448192 8.281002 0.000000 3.081436 5.599333 3.332875 6.001453 1.323676 4.212598 5.020916 7.049568 4.517770 6.951646 5.292038 7.415775 5.760278 7.204783 0.000000 5.609205 3.075658 5.995317 3.336500 4.212510 1.323773 7.055631 5.019516 6.960019 4.513640 7.214934 5.765348 7.415910 5.285577 2.890636 0.000000 4.568759 8.678290 4.552788 9.094552 5.970133 8.686642 2.456255 8.184565 3.842929 9.181304 1.412312 7.879702 2.824221 7.851847 6.215134 7.708979 0.000000 8.365417 4.606383 9.363684 5.714240 8.803900 6.486262 7.781387 2.458318 8.774247 3.842877 7.830529 1.412805 7.098035 2.829009 7.901058 6.626490 7.215598 0.000000 4.603675 8.352965 5.706024 9.374290 6.477871 8.804165 2.458281 7.774568 3.842862 8.763124 2.829007 7.092462 1.412790 7.827003 6.620579 7.899580 2.448493 6.415151 0.000000 8.682788 4.565082 9.074098 4.557452 8.677255 5.968750 8.186671 2.456251 9.184511 3.842969 7.852764 2.824147 7.882149 1.412294 7.700796 6.210965 7.182964 2.448441 7.216964 0.000000 4.376906 5.430746 4.586282 5.731788 2.390399 3.645841 6.459467 7.301898 5.864636 6.899149 6.760978 7.829034 7.135304 7.548607 1.469734 2.473723 7.661011 8.531870 7.995363 8.272836 0.000000 3.361873 4.647694 3.765718 5.100632 2.480361 3.705417 4.636105 5.749026 4.589890 5.850955 4.777591 6.090467 5.174545 5.838845 1.477003 2.477934 5.418483 6.491906 5.773945 6.253671 2.523799 0.000000 5.437490 4.372603 5.727270 4.589337 3.645807 2.390389 7.305318 6.458218 6.904785 5.861206 7.556849 7.140449 7.826178 6.754479 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0.000000 4.684728 6.413906 4.781834 6.686037 2.580656 4.548244 6.966173 8.368190 6.161849 7.903980 7.320228 8.882415 7.727179 8.633588 2.190547 3.482374 8.341699 9.597252 8.702946 9.365067 1.093828 3.498342 2.160755 3.963668 8.983810 9.825226 3.981228 5.859860 6.384988 6.580789 8.339636 8.329285 7.010299 8.931299 7.756672 8.477056 8.816582 10.162095 9.415624 9.770273 0.000000 2.902132 5.218217 3.341878 5.715844 2.748183 4.620118 3.673796 5.880183 3.868674 6.244751 3.737672 6.049372 4.223138 5.879301 2.215898 3.480765 4.328768 6.214352 4.756880 6.046114 3.509822 1.095738 3.966474 2.148134 4.805118 6.213077 2.683318 5.037287 4.456060 4.624785 6.863738 6.923433 3.852945 6.395822 4.667032 6.100002 4.837873 6.673796 5.505353 6.393465 4.390309 0.000000 6.419832 4.683725 6.681894 4.782956 4.548254 2.580528 8.371329 6.966931 7.909118 6.160956 8.641655 7.734210 8.879354 7.315321 3.482374 2.190515 9.371582 8.710213 9.593220 8.338212 2.160764 3.963609 1.093827 3.498330 9.825843 8.986168 5.860028 3.981222 8.332839 8.347607 6.578565 6.384025 8.489848 7.767875 8.924412 7.000020 9.780138 9.426473 10.154069 8.809511 2.535256 5.059078 0.000000 5.231225 2.889514 5.708476 3.348432 4.620020 2.748357 5.889490 3.667024 6.256111 3.858852 5.891512 4.222887 6.053538 3.727508 3.480821 2.215908 6.056087 4.759061 6.216214 4.322326 3.966529 2.148159 3.509836 1.095739 6.217852 4.804433 5.037905 2.682653 6.931355 6.878916 4.612618 4.448800 6.115224 4.669038 6.397652 3.838588 6.405168 5.510707 6.671919 4.829831 5.059135 2.492771 4.390294 0.000000 6.157915 8.864862 6.602273 9.486307 7.673438 9.416663 3.935556 7.812684 5.447645 9.034506 3.443632 7.229329 3.441391 7.514444 7.691669 8.644351 2.181482 6.258910 2.180494 6.584297 9.070085 6.637762 9.467863 7.171683 1.095843 5.890346 6.656246 9.140991 5.951953 5.950898 9.542036 9.802865 4.353514 7.747625 4.347255 8.213936 2.512573 6.069189 2.512219 6.651625 9.872948 5.579140 10.541561 6.674377 0.000000 8.876057 6.157351 9.472164 6.609905 9.413799 7.677770 7.820925 3.935625 9.044690 5.447718 7.518115 3.441404 7.240094 3.443673 8.642997 7.694002 6.585070 2.180491 6.267489 2.181513 9.468126 7.170262 9.071890 6.638305 5.893376 1.095845 9.137365 6.660814 9.807681 9.558595 5.950862 5.952449 8.215886 4.347227 7.761382 4.353551 6.648248 2.512239 6.079568 2.512588 10.541663 6.671319 9.875660 5.579987 5.373714 0.000000 C22H18N2O4 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 0 0 0 356.2463999999997 AuxInfo=1/0/N:25,26,17,19,18,20,11,13,12,14,21,22,23,24,9,10,7,8,15,16,27,28,5,6,3,4,1,2/E:(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)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.3,18.3,19.3,20.3,21.3,22.3,23.2,24.2,25.1,26.1/rA:46OOO1O1N2N2C3C3CCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;s1s7;s2s8;s7;s8;s7;s8;s5;s6;s11;s12;s13;s14;s15;s15;s16s21;s16s22;s17s19;s18s20;s1s3s5;s2s4s6;s9;s9;s10;s10;s11;s12;s13;s14;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.1945939 0.1066024 0.0748178 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= 20910 NPrTT= 108522 LenC2= 16758 LenP2D= 50410. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 316 RedAO= T EigKep= 6.56D-04 NBF= 316 NBsUse= 316 1.00D-06 EigRej= -1.00D+00 NBFU= 316 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= 303 303 303 303 303 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -1257.43625787117 -1257.49568349280 -0.059425621630 -1257.39133298229 0.104350510515 -1257.04569039644 0.345642585844 -1257.87979742162 -0.834107025176 -1257.87614862628 0.003648795337 -1257.88591271284 -0.009764086557 -1257.88666214344 -0.000749430606 -1257.88721436532 -0.000552221878 -1257.88730450979 -0.000090144463 -1257.88732065372 -0.000016143930 -1257.88737140418 -0.000050750461 -1257.88737198571 -0.000000581532 -1257.88736915441 0.000002831297 -1257.88738234000 -0.000013185591 -1257.88738353700 -0.000001196995 -1257.88738356865 -0.000000031649 -1257.88738356999 -0.000000001346 -1257.88738357008 -0.000000000082 -1257.88738357024 -0.000000000163 -1257.88738357026 -0.000000000020 -1257.88738357 21 1.251813039022e+03 -7.566322967438e+03 2.739649047439e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 322522 IEndB= 322522 NGot= 939524096 MDV= 939318387 LenX= 939318387 LenY= 939218090 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= 46. Will process 47 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111 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= 939523316 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= 660000000 NMat= 141 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= 141 NMatS0= 141 NMatT0= 0 NMatD0= 141 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 138 vectors produced by pass 0 Test12= 2.14D-14 1.00D-09 XBig12= 2.16D+03 3.47D+01. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 2.14D-14 1.00D-09 XBig12= 1.63D+03 5.63D+00. 138 vectors produced by pass 2 Test12= 2.14D-14 1.00D-09 XBig12= 1.09D+01 4.32D-01. 138 vectors produced by pass 3 Test12= 2.14D-14 1.00D-09 XBig12= 6.83D-03 8.27D-03. 112 vectors produced by pass 4 Test12= 2.14D-14 1.00D-09 XBig12= 1.34D-06 9.73D-05. 15 vectors produced by pass 5 Test12= 2.14D-14 1.00D-09 XBig12= 2.22D-10 9.13D-07. 3 vectors produced by pass 6 Test12= 2.14D-14 1.00D-09 XBig12= 2.33D-14 9.76D-09. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 682 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 285.84 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 352.317 0.003 298.233 -0.115 5.040 206.957 926.984 -0.058 509.814 -0.305 15.697 468.769 (Enter /mnt/data/applications/G09/g09/l716.exe) PT7179.500S Mon Apr 9 17:29:43 2018 -18.81363 -18.81361 -18.76880 -18.76879 -14.03982 -14.03979 -10.05797 -10.05796 -9.99836 -9.99832 -9.96607 -9.96606 -9.95106 -9.95060 -9.94427 -9.94381 -9.92731 -9.92727 -9.91906 -9.91903 -9.91897 -9.91896 -9.91822 -9.91820 -9.91679 -9.91676 -9.91434 -9.91434 -1.01965 -1.01961 -0.93890 -0.93889 -0.88746 -0.88003 -0.79127 -0.78922 -0.78518 -0.72399 -0.71892 -0.71415 -0.68611 -0.68533 -0.68505 -0.65058 -0.63522 -0.60475 -0.59142 -0.55823 -0.55817 -0.55210 -0.54480 -0.52936 -0.52878 -0.49698 -0.49319 -0.47181 -0.46974 -0.46414 -0.43306 -0.43264 -0.42891 -0.42776 -0.42399 -0.41764 -0.41564 -0.41288 -0.40327 -0.40112 -0.39798 -0.38696 -0.38542 -0.38458 -0.38057 -0.37657 -0.36965 -0.36360 -0.34703 -0.34249 -0.33870 -0.33394 -0.32188 -0.32117 -0.31902 -0.31886 -0.30536 -0.30509 -0.27454 -0.26800 -0.26519 -0.26313 -0.25421 -0.24968 -0.24039 -0.23743 -0.23737 -0.23509 -0.23332 -0.23142 -0.15911 -0.06903 -0.06146 -0.05849 -0.05149 -0.04889 -0.04855 -0.04107 -0.03411 0.04591 0.04893 0.06765 0.07830 0.08344 0.08807 0.08821 0.08939 0.09563 0.09600 0.11839 0.11966 0.12515 0.12724 0.12839 0.12912 0.13032 0.13179 0.14332 0.14729 0.14876 0.15034 0.15260 0.15428 0.16705 0.16753 0.17548 0.17589 0.18267 0.19017 0.21080 0.21525 0.21532 0.22181 0.22330 0.23982 0.24127 0.24141 0.25397 0.25658 0.25966 0.26037 0.26777 0.26948 0.27091 0.27658 0.28728 0.28924 0.29319 0.29839 0.30207 0.30889 0.31127 0.31351 0.31993 0.32445 0.32782 0.32949 0.33476 0.33898 0.33945 0.34384 0.34675 0.35019 0.35358 0.35484 0.36067 0.36201 0.36274 0.36610 0.37308 0.37356 0.37786 0.38520 0.38929 0.39038 0.39118 0.39507 0.40412 0.40924 0.41219 0.41651 0.42152 0.42252 0.42653 0.43275 0.43290 0.44134 0.44593 0.45504 0.45917 0.46275 0.47675 0.47709 0.47804 0.47898 0.49292 0.50005 0.50700 0.51761 0.54235 0.54565 0.57227 0.58111 0.58451 0.60091 0.60151 0.60546 0.60646 0.61245 0.61627 0.61866 0.62478 0.62738 0.65150 0.66042 0.66056 0.67791 0.68717 0.68825 0.70204 0.70624 0.72126 0.73038 0.74678 0.76332 0.77651 0.77833 0.79572 0.80849 0.83330 0.84516 0.84678 0.84940 0.87605 0.87879 0.88890 0.89473 0.90224 0.90347 0.92068 0.92659 0.92922 0.94795 0.96028 0.97156 0.97162 0.99323 0.99862 1.00449 1.00588 1.01932 1.04704 1.05175 1.07540 1.08008 1.09460 1.10374 1.11560 1.12669 1.14935 1.16989 1.18188 1.19326 1.22437 1.24050 1.24373 1.27779 1.28298 1.31064 1.31826 1.37052 1.40510 1.43575 1.46673 1.48977 1.49610 1.64004 1.66604 1.73268 1.73667 22.25234 22.28924 22.29594 22.39857 22.41104 22.50691 22.50938 22.51563 22.53380 22.54275 22.54336 22.55304 22.58434 22.58535 22.64252 22.64319 22.66129 22.66232 22.68807 22.71884 22.76338 22.76475 31.49844 31.52832 41.49891 41.50164 41.51773 41.52398 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 44 45 46 O O O O N N C C C 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 -0.247978 -0.248568 -0.230375 -0.230153 -0.021515 -0.021276 0.459146 0.459830 -0.479852 -0.479827 -0.363567 -0.381623 -0.380830 -0.363754 0.142049 0.141800 -0.231364 -0.225051 -0.225183 -0.231267 -0.285301 -0.236074 -0.285418 -0.235756 -0.230682 -0.230732 0.112146 0.111950 0.246353 0.229109 0.229110 0.246510 0.275541 0.235664 0.235767 0.275781 0.231615 0.228783 0.228777 0.231633 0.273466 0.267869 0.273475 0.268012 0.230869 0.230891 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 26 27 28 O O O O N N C C C C C C C C C C C C C C C C C C C C C C -0.247978 -0.248568 -0.230375 -0.230153 -0.021515 -0.021276 0.459146 0.459830 -0.004390 -0.004207 -0.088026 -0.145959 -0.145063 -0.087973 0.142049 0.141800 0.000251 0.003732 0.003594 0.000366 -0.011835 0.031795 -0.011943 0.032256 0.000187 0.000159 0.112146 0.111950 0.00000 -7.33273450e-03 1.68720286e+00 -1.01936345e+00 3.52317250e+02 2.57793484e-03 2.98233237e+02 -1.14757893e-01 5.04022858e+00 2.06956999e+02 -8.3509 -6.7414 -5.3621 -0.0003 0.0002 0.0005 2.7648 6.3528 12.6879 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -6.4347 5.9870 12.6779 15.9135 32.0318 33.6499 42.7180 58.6398 63.2094 82.3844 84.5029 120.8056 122.2422 161.1600 178.8892 220.4619 223.5770 240.4599 245.7276 299.5870 317.9637 352.8900 364.1307 390.8519 401.0326 404.2639 405.1130 437.1375 467.8598 478.6947 494.1538 537.1175 548.2879 548.9238 592.8577 596.0194 616.5772 616.7397 624.1390 626.5994 702.0681 704.0279 704.9453 713.7228 748.5956 750.7770 759.2142 764.0934 771.0494 787.9094 815.4408 815.7309 830.8597 831.8916 860.1326 860.6821 864.4645 919.8365 920.8338 937.8032 938.4264 951.0848 975.0226 975.9872 981.6579 984.6530 984.7569 990.3600 990.4595 1000.8413 1002.3626 1002.6670 1026.9831 1027.1125 1091.0504 1091.1216 1093.4153 1126.4953 1139.2613 1173.7951 1174.3216 1190.5839 1190.7831 1192.5912 1221.9693 1222.0996 1230.2477 1230.3586 1272.3281 1331.2105 1331.3307 1332.0853 1340.5260 1341.5164 1379.5437 1384.8623 1384.9008 1408.8480 1442.2470 1442.3141 1461.1140 1461.3339 1484.3929 1484.5109 1543.2361 1580.5420 1580.9975 1587.6815 1593.6716 1593.7561 1599.6619 1613.5914 1613.6236 1647.1577 3037.7115 3037.9338 3114.9635 3115.1190 3122.0203 3122.1236 3129.9939 3130.0859 3137.9987 3142.1484 3142.2973 3153.1365 3153.3089 3159.6533 3161.4352 3166.4864 3166.6211 3184.0365 5.1875 5.2925 5.1750 6.2723 4.3000 4.8084 8.9017 4.7506 5.1174 6.2791 10.4915 6.9748 5.5147 6.0547 6.5873 6.5728 6.6346 5.5835 9.0775 5.7143 5.1929 2.4660 2.2558 3.3942 3.3943 2.8235 2.9817 7.5010 4.3272 4.0373 2.8887 7.1198 7.4451 4.5789 5.7839 5.3913 6.4762 6.3697 5.3247 5.9824 7.1263 1.8013 1.8889 8.7966 4.8086 2.6069 2.8016 4.6380 3.3692 1.5070 3.5071 3.5182 5.2340 5.5721 1.2477 1.2936 1.7257 3.7985 4.3865 1.6136 1.6307 3.5547 1.8659 1.9067 1.3470 1.4187 1.4222 5.6794 5.6132 1.2974 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