Gaussian 09 GINC-KIMIK2063 CBGUSER 000090227 EM64L-G09RevD.01 16-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 359.20676099999974 0 1 AuxInfo=1/0/N:18,20,19,21,27,25,26,16,17,12,14,13,15,23,24,8,10,9,11,22,6,7,5,4,2,3,1/E:(1,2,3,4)(6,7)(8,9)(10,11,12,13)(14,15)(16,17,18,19)(21,22)(25,26)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.1,27.4/rA:50P4OOOO1C3C3C3C3C3C3C3C3C3C3C3C3CCCCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s1;s2;s3;s6;s7;s6;s7;s8;s9;s10;s11;s12s14;s13s15;s8;s9;s10;s11;s4;s22;s22;s23;s24;s25s26;s12;s13;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s21;s21;s21;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-19219.inp" -scrdir="/scratch/" chk=000090227.chk nprocshared=4 mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000090227 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 31 16 16 16 16 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 1 1 1 1 1 30.9737634 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 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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 R49 R50 R51 R52 1 1 1 1 2 3 4 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 23 23 24 24 25 25 26 26 27 2 3 4 5 6 7 22 8 10 9 11 12 18 13 19 14 20 15 21 16 28 17 29 16 30 17 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 23 24 25 46 26 47 27 48 27 49 50 1.6196 1.6167 1.6168 1.5032 1.3639 1.3685 1.3685 1.395 1.3948 1.3926 1.3925 1.395 1.4933 1.3949 1.4933 1.3949 1.4933 1.3949 1.4934 1.3947 1.0868 1.3948 1.0868 1.3949 1.0868 1.395 1.0868 1.0861 1.0861 1.0941 1.0962 1.0937 1.0961 1.094 1.0942 1.0951 1.094 1.0957 1.0917 1.096 1.0938 1.3911 1.3911 1.395 1.0797 1.3948 1.0862 1.3949 1.0861 1.3949 1.0861 1.0861 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 2 2 2 3 3 4 1 1 1 2 2 8 3 3 9 6 6 12 7 7 13 6 6 14 7 7 15 8 8 16 9 9 17 10 10 16 11 11 17 12 12 14 13 13 15 8 8 8 34 34 35 9 9 9 37 37 38 10 10 10 40 40 41 11 11 11 43 43 44 4 4 23 22 22 25 22 22 26 23 23 27 24 24 27 25 25 26 1 1 1 1 1 1 2 3 4 6 6 6 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 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 3 4 5 4 5 5 6 7 22 8 10 10 9 11 11 12 18 18 13 19 19 14 20 20 15 21 21 16 28 28 17 29 29 16 30 30 17 31 31 14 32 32 15 33 33 34 35 36 35 36 36 37 38 39 38 39 39 40 41 42 41 42 42 43 44 45 44 45 45 23 24 24 25 46 46 26 47 47 27 48 48 27 49 49 26 50 50 103.1264 102.9337 115.2932 102.9947 115.3652 115.358 125.1366 125.0069 124.996 119.9462 120.0565 119.9973 119.7927 119.884 120.3233 120.002 120.802 119.196 119.8428 120.9632 119.194 120.0011 120.8222 119.1767 119.8414 120.9875 119.1711 119.9929 120.6913 119.3157 119.9951 120.6983 119.3065 119.9992 120.7865 119.2141 119.9926 120.9429 119.0644 120.0075 120.0018 119.9906 120.0047 119.9931 120.0021 112.7823 110.1781 110.2541 106.1009 109.3009 108.0432 110.247 110.316 112.6469 108.0419 106.1163 109.2937 111.7158 110.1984 111.0206 109.0536 106.4792 108.2386 111.1525 111.3246 110.4213 107.0534 110.3428 106.392 119.7364 119.7341 120.5295 119.7409 122.8076 117.4379 119.7385 120.5501 119.7114 119.9891 120.0259 119.9843 119.9989 120.0059 119.9952 120.0031 120.0003 119.9965 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 3 4 5 2 4 5 2 3 5 1 1 1 1 1 1 2 2 10 10 2 2 8 8 3 3 11 11 3 3 9 9 6 6 18 18 6 6 6 12 12 12 7 7 19 19 7 7 7 13 13 13 6 6 20 20 6 6 6 14 14 14 7 7 21 21 7 7 7 15 15 15 8 8 28 28 9 9 29 29 10 10 30 30 11 11 31 31 4 4 24 24 4 4 23 23 22 22 46 46 22 22 47 47 23 23 48 48 24 24 49 49 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 2 2 2 3 3 3 4 4 4 6 6 7 7 22 22 8 8 8 8 10 10 10 10 9 9 9 9 11 11 11 11 12 12 12 12 18 18 18 18 18 18 13 13 13 13 19 19 19 19 19 19 14 14 14 14 20 20 20 20 20 20 15 15 15 15 21 21 21 21 21 21 16 16 16 16 17 17 17 17 16 16 16 16 17 17 17 17 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 27 27 27 27 6 6 6 7 7 7 22 22 22 8 10 9 11 23 24 12 18 12 18 14 20 14 20 13 19 13 19 15 21 15 21 16 28 16 28 34 35 36 34 35 36 17 29 17 29 37 38 39 37 38 39 16 30 16 30 40 41 42 40 41 42 17 31 17 31 43 44 45 43 44 45 14 32 14 32 15 33 15 33 12 32 12 32 13 33 13 33 25 46 25 46 26 47 26 47 27 48 27 48 27 49 27 49 26 50 26 50 25 50 25 50 -173.3728 -66.4875 59.9921 -66.5926 -173.4316 59.9967 -173.5525 -66.5668 60.0094 90.0033 -90.0076 90.0028 -90.0095 -0.0028 -179.9603 179.9951 -0.0533 0.0059 179.9576 -179.9886 -0.029 0.0006 179.9602 179.9944 -0.0558 0.0068 179.9566 -179.9845 -0.0289 0.0032 179.9587 -0.0055 179.8643 -179.958 -0.0881 22.544 140.8911 -99.9429 -157.504 -39.1568 80.0092 -0.0109 179.8568 -179.9616 -0.0939 142.0389 -98.7145 23.713 -38.011 81.2356 -156.3369 -0.0074 -179.865 -179.9677 0.1748 -33.5431 87.852 -152.2384 146.4168 -92.1881 27.7216 -0.009 -179.9228 -179.9653 0.1209 69.1941 -171.5569 -53.6127 -110.8501 8.3989 126.3432 -0.0013 179.9349 -179.873 0.0632 0.0051 179.9472 -179.8644 0.0776 0.0078 -179.9284 179.8676 -0.0686 0.0048 -179.9372 179.9202 -0.0218 -179.9492 -1.3234 0.008 178.6338 179.9526 -0.0383 -0.0046 -179.9954 -0.0054 179.7017 -178.704 1.0031 -0.0014 -179.9824 179.9895 0.0085 -0.0005 179.9274 -179.7078 0.2202 0.0039 -179.924 179.9849 0.057 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 260 300 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 50 50 50 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= 22578 NPrTT= 114161 LenC2= 19519 LenP2D= 59022. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 324 RedAO= T EigKep= 5.42D-04 NBF= 324 NBsUse= 324 1.00D-06 EigRej= -1.00D+00 NBFU= 324 Using GEDIIS/GDIIS optimizer. local minimum Step number 22 out of a maximum of 260 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00128 0.00171 0.00232 0.00375 0.00848 0.01602 0.01638 0.01651 0.01660 0.01828 0.02141 0.02149 0.02150 0.02156 0.02156 0.02157 0.02157 0.02157 0.02157 0.02159 0.02160 0.02162 0.02163 0.02171 0.02175 0.02180 0.02184 0.02193 0.02206 0.02238 0.02255 0.02307 0.02403 0.02475 0.02946 0.04442 0.04696 0.07192 0.07232 0.07238 0.07271 0.07297 0.07315 0.07333 0.07426 0.12404 0.13274 0.13876 0.15617 0.15913 0.15982 0.15989 0.15995 0.15999 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16001 0.16003 0.16004 0.16009 0.16012 0.16022 0.16029 0.16059 0.16073 0.16200 0.16555 0.16830 0.19999 0.21321 0.22000 0.22075 0.22094 0.22120 0.23432 0.23467 0.23526 0.24062 0.24576 0.24911 0.24963 0.24975 0.25029 0.25521 0.25764 0.29062 0.33061 0.33094 0.33098 0.33592 0.33933 0.34113 0.34133 0.34168 0.34213 0.34253 0.34299 0.34323 0.34347 0.34415 0.34552 0.34608 0.35168 0.35183 0.35185 0.35190 0.35257 0.35261 0.35268 0.35270 0.35272 0.35485 0.36134 0.36672 0.37964 0.39216 0.42394 0.42583 0.42803 0.43035 0.43336 0.43629 0.43953 0.46116 0.46438 0.46478 0.46487 0.46498 0.46568 0.46639 0.46832 0.47234 0.47985 0.48676 0.48936 0.50503 0.51640 0.53560 0.56253 0.66451 RFO step: Lambda=-3.29611361D-08. 1 2 3 0.00279782 0.00000250 0.00000000 0.00000155 0.00000001 0.00000001 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 R49 R50 R51 R52 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 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 3.27287 3.26829 3.27711 3.00117 2.72526 2.72588 2.71157 2.68000 2.67955 2.68101 2.68043 2.67780 2.86301 2.67839 2.86186 2.67887 2.86390 2.67911 2.86442 2.66892 2.07109 2.66884 2.07106 2.66804 2.07105 2.66852 2.07121 2.07021 2.07023 2.08961 2.08414 2.08717 2.08434 2.08725 2.08891 2.08891 2.08976 2.08398 2.08889 2.08377 2.08910 2.66811 2.66384 2.67130 2.06809 2.66976 2.06702 2.67302 2.07002 2.67382 2.06995 2.06961 1.76939 1.76007 2.04632 1.72897 2.07025 2.03323 2.14665 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0.00008 0.00000 0.00020 0.00014 0.00018 0.00003 0.00006 -0.00006 -0.00004 -0.00012 -0.00010 -0.00100 -0.00100 -0.00104 -0.00093 -0.00093 -0.00097 -0.00003 0.00000 -0.00023 -0.00020 0.00231 0.00233 0.00243 0.00252 0.00254 0.00264 -0.00003 -0.00006 0.00002 -0.00001 0.00073 0.00072 0.00073 0.00068 0.00066 0.00068 -0.00002 -0.00004 -0.00005 -0.00007 0.00082 0.00077 0.00082 0.00086 0.00080 0.00086 -0.00007 0.00000 -0.00009 -0.00002 0.00004 0.00002 0.00001 -0.00001 0.00011 0.00004 0.00014 0.00007 -0.00001 0.00001 0.00001 0.00003 0.00007 0.00017 0.00003 0.00014 -0.00007 -0.00007 -0.00004 -0.00004 -0.00001 -0.00001 -0.00012 -0.00012 0.00003 -0.00003 0.00003 -0.00003 0.00000 -0.00003 0.00000 -0.00002 -0.00001 0.00002 0.00005 0.00008 0.00002 -0.00001 -0.00007 0.00008 0.00005 -0.00001 -0.00005 -0.00001 -0.00001 -0.00001 0.00002 0.00001 -0.00002 0.00002 0.00001 0.00002 -0.00003 -0.00001 -0.00002 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 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-0.00005 0.00002 0.00073 0.00069 0.00019 0.00009 -0.00002 -0.00012 -0.00023 -0.00012 -0.00002 0.00009 0.00005 0.00003 -0.00003 -0.00004 -0.00005 0.00002 0.00003 0.00009 0.00001 -0.00003 0.00011 0.00007 0.00006 0.00005 0.00008 -0.00004 -0.00005 -0.00002 0.00002 -0.00005 0.00004 -0.00004 0.00069 0.00073 0.00078 0.00067 0.00071 0.00077 0.00007 0.00004 -0.00004 -0.00006 0.00044 0.00036 0.00039 0.00055 0.00047 0.00050 -0.00003 0.00002 -0.00009 -0.00004 0.00027 0.00029 0.00032 0.00034 0.00035 0.00038 0.00004 -0.00001 0.00008 0.00003 -0.00002 -0.00002 0.00005 0.00005 -0.00008 -0.00003 -0.00005 0.00000 0.00003 0.00003 -0.00003 -0.00002 -0.00003 -0.00007 0.00002 -0.00002 0.00006 0.00006 0.00001 0.00001 0.00000 -0.00002 0.00004 0.00002 -0.00006 0.00002 -0.00006 0.00002 -0.00005 0.00000 -0.00003 0.00002 0.00009 0.00003 0.00000 -0.00006 -0.00020 0.00014 0.00038 -0.00016 0.00011 0.00016 -0.00003 -0.00003 0.00001 0.00002 -0.00003 0.00002 0.00000 -0.00002 0.00000 -0.00001 0.00000 0.00003 0.00000 -0.00001 0.00000 0.00002 0.00000 0.00000 0.00000 -0.00003 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00004 0.00003 -0.00004 -0.00001 0.00000 0.00001 -0.00001 -0.00002 0.00001 0.00004 0.00002 0.00000 -0.00003 0.00000 -0.00003 0.00000 0.00001 0.00000 0.00000 0.00003 0.00014 -0.00015 -0.00015 0.00001 0.00013 -0.00001 -0.00016 -0.00014 0.00008 -0.00010 0.00004 0.00004 -0.00009 0.00004 -0.00004 0.00006 -0.00002 -0.00004 0.00001 0.00003 -0.00002 0.00001 0.00001 -0.00001 0.00000 0.00001 0.00002 -0.00003 0.00002 0.00001 0.00001 -0.00002 0.00000 0.00000 0.00000 -0.00002 -0.00001 0.00003 0.00000 0.00000 0.00000 0.00002 -0.00004 0.00003 -0.00004 -0.00002 0.00000 0.00003 0.00003 0.00000 -0.00001 0.00010 -0.00010 0.00000 -0.00011 0.00012 -0.00003 -0.00002 -0.00001 -0.00004 0.00006 0.00005 -0.00010 0.00002 0.00001 0.00002 0.00001 0.00005 0.00012 -0.00009 -0.00003 0.00001 0.00002 -0.00003 0.00001 -0.00006 0.00005 0.00000 -0.00003 0.00003 0.00000 0.00002 -0.00002 0.00000 0.00002 -0.00002 0.00216 0.00204 0.00222 -0.00134 -0.00146 -0.00151 -0.00051 -0.00048 -0.00050 -0.00070 -0.00055 0.00006 0.00003 0.00069 0.00068 0.00028 0.00024 0.00012 0.00009 -0.00029 -0.00023 -0.00012 -0.00006 -0.00007 0.00011 -0.00003 0.00016 0.00009 0.00019 0.00006 0.00016 -0.00004 -0.00007 -0.00001 -0.00003 -0.00094 -0.00094 -0.00095 -0.00098 -0.00098 -0.00099 -0.00001 -0.00006 -0.00019 -0.00024 0.00300 0.00306 0.00321 0.00320 0.00325 0.00341 0.00003 -0.00002 -0.00002 -0.00008 0.00117 0.00108 0.00112 0.00123 0.00114 0.00118 -0.00005 -0.00002 -0.00015 -0.00011 0.00109 0.00105 0.00114 0.00119 0.00116 0.00124 -0.00003 -0.00001 -0.00001 0.00001 0.00002 -0.00001 0.00007 0.00004 0.00004 0.00002 0.00009 0.00007 0.00001 0.00004 -0.00002 0.00000 0.00004 0.00011 0.00005 0.00012 -0.00001 -0.00001 -0.00003 -0.00003 -0.00001 -0.00003 -0.00008 -0.00010 -0.00003 -0.00001 -0.00004 -0.00001 -0.00005 -0.00002 -0.00003 0.00000 0.00008 0.00004 0.00005 0.00002 3.27267 3.26844 3.27749 3.00101 2.72537 2.72604 2.71153 2.67998 2.67957 2.68103 2.68040 2.67782 2.86300 2.67837 2.86186 2.67886 2.86391 2.67913 2.86441 2.66891 2.07109 2.66886 2.07107 2.66804 2.07105 2.66849 2.07121 2.07020 2.07023 2.08960 2.08413 2.08717 2.08435 2.08721 2.08894 2.08888 2.08975 2.08397 2.08889 2.08376 2.08909 2.66812 2.66388 2.67132 2.06808 2.66973 2.06702 2.67299 2.07002 2.67384 2.06995 2.06961 1.76943 1.76021 2.04617 1.72882 2.07026 2.03336 2.14663 2.15097 2.13131 2.04265 2.07204 2.16332 2.04321 2.07233 2.16240 2.04112 2.11897 2.12302 2.04110 2.11935 2.12265 2.03939 2.12490 2.11889 2.03986 2.12384 2.11941 2.11133 2.07435 2.09749 2.11183 2.07448 2.09685 2.11293 2.07386 2.09639 2.11297 2.07328 2.09690 2.09789 2.09265 2.09261 2.09755 2.09297 2.09260 1.93687 1.93188 1.94779 1.89225 1.85467 1.89782 1.93307 1.94144 1.93630 1.89870 1.89341 1.85862 1.94489 1.93629 1.93189 1.86778 1.89144 1.88923 1.94588 1.93072 1.93819 1.89341 1.86044 1.89281 2.12199 2.02812 2.13094 2.06526 2.10067 2.11724 2.07257 2.08365 2.12696 2.10578 2.08143 2.09595 2.09980 2.08542 2.09795 2.09194 2.09584 2.09540 2.94097 -1.56799 0.65850 -1.24109 -3.04043 1.02634 3.10826 -1.36794 0.87340 1.79360 -1.45285 1.77357 -1.47357 -0.94176 2.26869 3.05967 -0.06861 0.02895 -3.09932 -3.05683 0.08212 -0.02786 3.11109 3.06721 -0.06093 0.03713 -3.09101 -3.06536 0.06368 -0.03703 3.09201 -0.00901 3.13743 3.11923 -0.01751 1.06154 -3.11977 -1.00352 -2.06611 0.03576 2.15202 -0.01103 3.13806 3.11708 -0.01701 3.12539 -1.04390 1.02164 -0.00212 2.11177 -2.10587 0.00684 -3.13893 -3.13213 0.00529 -0.85360 1.22568 -2.95980 2.28524 -1.91867 0.17903 0.01086 -3.13869 -3.11822 0.01541 1.15450 -3.02011 -0.91744 -2.00021 0.10836 2.21103 -0.01031 3.14054 3.12637 -0.00597 -0.01298 3.14120 3.12102 -0.00798 0.01145 -3.13940 -3.12592 0.00642 0.01307 -3.14111 -3.12046 0.00855 -3.07303 0.07440 -0.00437 -3.14013 3.06663 -0.07485 -0.00571 3.13599 0.00984 -3.13886 -3.13765 -0.00316 0.01047 -3.13716 -3.13124 0.00432 -0.00521 3.13563 -3.13963 0.00120 -0.00516 3.13719 -3.14067 0.00168 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000061 0.000007 0.009849 0.002798 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.089718e-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 R45 R46 R47 R48 R49 R50 R51 R52 1 1 1 1 2 3 4 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 23 23 24 24 25 25 26 26 27 2 3 4 5 6 7 22 8 10 9 11 12 18 13 19 14 20 15 21 16 28 17 29 16 30 17 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 23 24 25 46 26 47 27 48 27 49 50 1.7319 1.7295 1.7342 1.5882 1.4421 1.4425 1.4349 1.4182 1.418 1.4187 1.4184 1.417 1.515 1.4173 1.5144 1.4176 1.5155 1.4177 1.5158 1.4123 1.096 1.4123 1.096 1.4119 1.096 1.4121 1.096 1.0955 1.0955 1.1058 1.1029 1.1045 1.103 1.1045 1.1054 1.1054 1.1059 1.1028 1.1054 1.1027 1.1055 1.4119 1.4096 1.4136 1.0944 1.4128 1.0938 1.4145 1.0954 1.4149 1.0954 1.0952 -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|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 2 2 2 3 3 4 1 1 1 2 2 8 3 3 9 6 6 12 7 7 13 6 6 14 7 7 15 8 8 16 9 9 17 10 10 16 11 11 17 12 12 14 13 13 15 8 8 8 34 34 35 9 9 9 37 37 38 10 10 10 40 40 41 11 11 11 43 43 44 4 4 23 22 22 25 22 22 26 23 23 27 24 24 27 25 25 26 1 1 1 1 1 1 2 3 4 6 6 6 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 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 3 4 5 4 5 5 6 7 22 8 10 10 9 11 11 12 18 18 13 19 19 14 20 20 15 21 21 16 28 28 17 29 29 16 30 30 17 31 31 14 32 32 15 33 33 34 35 36 35 36 36 37 38 39 38 39 39 40 41 42 41 42 42 43 44 45 44 45 45 23 24 24 25 46 46 26 47 47 27 48 48 27 49 49 26 50 50 101.3788 100.8448 117.2456 99.0627 118.6163 116.4953 122.9937 123.2508 122.123 117.0304 118.7248 123.9471 117.0651 118.7405 123.8942 116.9497 121.4043 121.6415 116.9491 121.4296 121.6168 116.8495 121.7474 121.4029 116.8762 121.6869 121.4329 120.9695 118.8535 120.1764 120.998 118.8586 120.142 121.062 118.8232 120.1144 121.0655 118.791 120.1419 120.2001 119.9002 119.8976 120.1798 119.9205 119.8957 110.9763 110.6896 111.5998 108.4165 106.263 108.7369 110.7577 111.2305 110.9476 108.7876 108.4907 106.4841 111.4363 110.9424 110.6899 107.0184 108.3679 108.2421 111.4964 110.621 111.0498 108.4835 106.5947 108.4468 121.5741 116.2075 122.0958 118.3303 120.3584 121.3105 118.7489 119.3878 121.8633 120.6521 119.2589 120.0877 120.3094 119.4845 120.2052 119.8595 120.0817 120.0588 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 3 4 5 2 4 5 2 3 5 1 1 1 1 1 1 2 2 10 10 2 2 8 8 3 3 11 11 3 3 9 9 6 6 18 18 6 6 6 12 12 12 7 7 19 19 7 7 7 13 13 13 6 6 20 20 6 6 6 14 14 14 7 7 21 21 7 7 7 15 15 15 8 8 28 28 9 9 29 29 10 10 30 30 11 11 31 31 4 4 24 24 4 4 23 23 22 22 46 46 22 22 47 47 23 23 48 48 24 24 49 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 2 2 2 3 3 3 4 4 4 6 6 7 7 22 22 8 8 8 8 10 10 10 10 9 9 9 9 11 11 11 11 12 12 12 12 18 18 18 18 18 18 13 13 13 13 19 19 19 19 19 19 14 14 14 14 20 20 20 20 20 20 15 15 15 15 21 21 21 21 21 21 16 16 16 16 17 17 17 17 16 16 16 16 17 17 17 17 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 27 27 27 6 6 6 7 7 7 22 22 22 8 10 9 11 23 24 12 18 12 18 14 20 14 20 13 19 13 19 15 21 15 21 16 28 16 28 34 35 36 34 35 36 17 29 17 29 37 38 39 37 38 39 16 30 16 30 40 41 42 40 41 42 17 31 17 31 43 44 45 43 44 45 14 32 14 32 15 33 15 33 12 32 12 32 13 33 13 33 25 46 25 46 26 47 26 47 27 48 27 48 27 49 27 49 26 50 26 50 25 50 25 168.3813 -89.9561 37.6024 -71.0322 -174.1203 58.8914 178.1192 -78.3494 50.0707 102.8062 -83.2105 101.6148 -84.4306 -53.9987 129.9474 175.2902 -3.945 1.6519 -177.5833 -175.1273 4.7185 -1.5898 178.256 175.7422 -3.4977 2.1294 -177.1105 -175.6378 3.6377 -2.1251 177.1504 -0.5139 179.7655 178.7193 -1.0012 60.8757 -178.6959 -57.4425 -118.3235 2.1049 123.3583 -0.6315 179.8008 178.6069 -0.9609 178.8999 -59.9863 58.3516 -0.3044 120.8094 -120.8527 0.3897 -179.8461 -179.4566 0.3075 -48.9746 70.1646 -169.6488 130.8642 -109.9966 10.19 0.6249 -179.8329 -178.6525 0.8896 66.0855 -173.1003 -52.6308 -114.672 6.1423 126.6118 -0.5889 179.9403 179.1279 -0.3428 -0.7445 179.978 178.8177 -0.4598 0.6541 -179.8752 -179.1071 0.3637 0.7481 -179.9743 -178.7879 0.4897 -176.074 4.2564 -0.2536 -179.9232 175.7059 -4.2879 -0.3256 179.6806 0.5641 -179.8416 -179.7696 -0.1753 0.6016 -179.7457 -179.4048 0.248 -0.2952 179.6596 -179.8862 0.0687 -0.2999 179.7453 -179.9501 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 0 0 0 359.20676099999974 AuxInfo=1/0/N:18,20,19,21,27,25,26,16,17,12,14,13,15,23,24,8,10,9,11,22,6,7,5,4,2,3,1/E:(1,2,3,4)(6,7)(8,9)(10,11,12,13)(14,15)(16,17,18,19)(21,22)(25,26)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.1,27.4/rA:50P4OOOO1C3C3C3C3C3C3C3C3C3C3C3C3CCCCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s1;s2;s3;s6;s7;s6;s7;s8;s9;s10;s11;s12s14;s13s15;s8;s9;s10;s11;s4;s22;s22;s23;s24;s25s26;s12;s13;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s21;s21;s21;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.619590 0.000000 1.616723 2.534987 0.000000 1.616802 2.531662 2.530489 0.000000 1.503174 2.638733 2.637321 2.637285 0.000000 2.650625 1.363875 3.859279 3.158768 3.295100 0.000000 2.650507 3.163911 1.368525 3.859310 3.294735 4.501150 0.000000 3.488484 2.388624 4.655523 3.347026 4.311294 1.394960 5.493510 0.000000 3.484509 3.348173 2.388695 4.651645 4.307708 4.593509 1.392556 5.544207 0.000000 3.489909 2.389785 4.750618 4.265338 3.593037 1.394768 5.159591 2.415942 5.231907 0.000000 3.485826 4.267589 2.389791 4.745868 3.589106 5.534098 1.392549 6.633329 2.415892 5.978891 0.000000 4.739977 3.660953 6.010734 4.543501 5.326251 2.416166 6.816068 1.394961 6.830066 2.789809 7.905516 0.000000 4.735699 4.544088 3.661018 6.006706 5.321938 5.688085 2.412131 6.722300 1.394943 6.106478 2.789791 7.934745 0.000000 4.740932 3.661566 6.084573 5.256739 4.763507 2.415897 6.549792 2.789640 6.578932 1.394854 7.364883 2.415950 7.420072 0.000000 4.736678 5.258490 3.661681 6.079947 4.759035 6.471611 2.412072 7.645507 2.789737 6.757615 1.394900 8.877488 2.416076 8.125223 0.000000 5.255400 4.153562 6.618226 5.371884 5.515373 2.789687 7.267540 2.415838 7.274595 2.415976 8.222834 1.394709 8.239660 1.394885 9.087904 0.000000 5.251024 5.372951 4.153712 6.613881 5.510773 6.537898 2.785188 7.684130 2.415896 6.814297 2.416049 8.890380 1.394762 8.150165 1.395017 9.095387 0.000000 3.630314 2.842268 4.476210 2.981925 4.788879 2.511839 5.476470 1.493318 5.535616 3.790178 6.722340 2.491626 6.824346 4.282863 7.817903 3.776724 7.861835 0.000000 3.627465 2.982321 2.842352 4.473428 4.786327 4.058568 2.511795 4.735409 1.493345 4.905293 3.790156 5.997307 2.491608 6.132164 4.282987 6.599656 3.776786 4.568072 0.000000 3.634401 2.844840 4.680256 4.841296 3.337792 2.511927 4.754112 3.790381 4.862782 1.493321 5.295020 4.283028 5.490348 2.491292 5.876769 3.776697 5.965607 5.023389 4.926504 0.000000 3.631363 4.844090 2.844833 4.675599 3.334954 6.024588 2.512140 7.072380 3.790409 6.441688 1.493402 8.303082 4.283092 7.772809 2.491330 8.610324 3.776835 7.150310 5.023436 5.781004 0.000000 2.650438 3.860824 3.159139 1.368511 3.294575 4.500373 4.500709 4.595879 5.489366 5.535609 5.153792 5.690444 6.811587 6.473142 6.544097 6.539800 7.262412 4.061320 5.473767 6.025492 4.747835 0.000000 2.988055 4.508387 3.142616 2.386746 3.207006 5.331964 4.293623 5.698524 5.508561 6.202178 4.579513 6.823054 6.697870 7.248958 5.957155 7.522565 6.887114 5.317291 5.849496 6.384011 3.838347 1.391107 0.000000 3.915072 4.879890 4.410507 2.386722 4.594782 5.309981 5.766031 5.052826 6.652247 6.413170 6.479624 5.983308 8.006400 7.169201 7.863487 6.980779 8.537684 4.259158 6.442499 7.112620 6.066145 1.391111 2.415874 0.000000 4.382354 5.896411 4.393792 3.658726 4.476267 6.684572 5.448428 6.954445 6.692536 7.545520 5.556246 8.018530 7.820826 8.536220 6.873496 8.749041 7.898853 6.465687 7.081433 7.723320 4.605253 2.409707 1.395026 2.789839 0.000000 5.059948 6.184925 5.374092 3.658509 5.555491 6.666856 6.670558 6.435762 7.661372 7.719722 7.203145 7.317043 8.966876 8.468419 8.578558 8.287610 9.372883 5.627496 7.578487 8.335558 6.578305 2.409512 2.789693 1.394831 2.416090 0.000000 5.248000 6.612892 5.367232 4.150841 5.506870 7.258830 6.535699 7.268809 7.678894 8.215651 6.806486 8.233313 8.884609 9.080124 8.142279 9.087987 9.088494 6.595536 7.858371 8.602985 5.956418 2.782330 2.415989 2.416004 1.394871 1.394946 0.000000 5.546646 4.546842 6.763153 5.088945 6.217530 3.405646 7.649916 2.162092 7.648363 3.876544 8.789479 1.086793 8.792313 3.396161 9.801254 2.147237 9.802386 2.703418 6.703825 5.369694 9.163310 6.113476 7.350593 6.168220 8.456280 7.451197 8.500068 0.000000 5.542609 5.088980 4.546988 6.759545 6.213290 6.110984 3.402064 7.071488 2.162168 6.495110 3.876549 8.216535 1.086816 7.725880 3.396260 8.505933 2.147206 7.175340 2.703506 5.934776 5.369779 7.645964 7.646889 8.780025 8.790889 9.792432 9.797306 9.040131 0.000000 5.549253 4.548802 6.880566 6.189042 5.347992 3.406053 7.227078 3.876412 7.248887 2.163042 7.914447 3.395481 7.956997 1.086847 8.567900 2.146347 8.587464 5.369558 6.918056 2.704599 8.298985 7.366878 8.042162 8.106685 9.312656 9.368278 9.913016 4.284204 8.238665 0.000000 5.546941 6.192065 4.550322 6.877725 5.345832 7.366828 3.403566 8.577011 3.876396 7.554501 2.164656 9.780617 3.394496 8.897398 1.086764 9.922553 2.144785 8.793264 5.369554 6.560064 2.707275 7.223186 6.472987 8.551276 7.255958 9.158290 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3.468815 8.663806 5.380109 7.108423 8.036597 6.447588 6.339198 5.382382 5.624795 4.457261 3.679459 5.304385 0.000000 4.693358 5.971537 3.988363 5.837980 4.211129 6.984116 3.466034 8.208850 4.665169 7.000703 2.165830 9.306675 4.871502 8.285645 2.652138 9.342393 4.059868 8.553553 6.007082 5.970652 1.102685 5.837578 5.681442 6.556578 6.279335 7.085335 6.958888 10.268855 5.946476 8.577153 2.389659 10.326679 4.742515 8.524601 9.616327 8.002895 6.826004 6.300502 6.205438 5.649819 5.159638 6.576397 1.791833 0.000000 3.617446 5.103970 2.775999 4.385266 3.539737 6.269306 2.841512 7.311687 4.193435 6.637180 2.173363 8.535290 4.861004 7.978586 3.324246 8.828082 4.522605 7.384803 5.241105 5.945225 1.105506 4.231960 4.265167 4.809367 4.863063 5.354204 5.378567 9.397392 5.932862 8.485271 3.586368 9.866433 5.438766 7.338387 8.413954 6.708346 6.200751 5.500664 5.169051 5.625085 5.181671 6.783948 1.772583 1.791512 0.000000 3.102459 4.538207 4.206862 2.731697 2.582535 4.969910 5.338143 5.409494 6.544968 5.568636 5.524842 6.331074 7.716281 6.465355 6.892137 6.803045 7.867443 5.421550 6.842150 5.735464 4.661076 2.180143 1.094385 3.455298 2.191759 3.933960 3.455319 6.927796 8.664337 7.145261 7.327579 7.679267 8.902716 5.992312 6.126294 4.502334 7.932616 6.402286 6.692522 6.093988 4.937055 6.629851 3.938106 5.445606 4.293189 0.000000 4.045563 4.864156 3.908492 2.602974 5.179192 5.872445 5.248253 5.883541 5.876831 7.119114 6.110516 7.181238 7.220954 8.202836 7.408164 8.232412 7.893213 4.884786 5.476982 7.532253 5.983241 2.167212 3.448268 1.093822 3.925629 2.196341 3.455092 7.504182 7.882990 9.177723 8.185526 9.224588 8.957558 4.777033 5.482757 3.948278 6.408997 5.355994 4.673655 7.332861 7.206874 8.632617 6.003680 6.954424 5.198086 4.341094 0.000000 5.382308 6.913341 6.036879 4.648167 4.945775 7.437217 7.153195 7.732598 8.437362 8.084746 7.129853 8.625517 9.563915 8.936617 8.459713 9.181922 9.577832 7.485566 8.789338 8.204197 5.978925 3.419408 2.170668 3.927576 1.095407 3.442241 2.180433 9.074287 10.555681 9.594633 8.722526 9.994524 10.579564 8.027673 8.038862 6.443694 9.890130 8.521376 8.432275 8.519406 7.338472 9.068978 5.497264 6.506843 5.304773 2.517791 5.020993 0.000000 5.991901 7.144948 5.853036 4.584768 6.696076 8.079027 7.108442 8.077583 7.951209 9.233868 7.616749 9.272108 9.191182 10.274194 8.909937 10.292600 9.623057 7.109553 7.791539 9.563161 7.082584 3.421955 3.935036 2.172348 3.442932 1.095369 2.182044 9.523162 9.945744 11.202014 9.480220 11.231101 10.650230 7.170783 7.559348 6.072254 8.732809 7.781675 6.956121 9.462746 9.040019 10.637566 7.146714 7.838209 6.084910 5.029310 2.529447 4.350015 0.000000 6.492857 7.941745 6.692614 5.331708 6.601942 8.696847 7.890705 8.821263 9.025985 9.619052 8.041174 9.867242 10.199757 10.571982 9.359550 10.684175 10.353199 8.163462 9.180590 9.830227 7.073687 3.900097 3.447663 3.444103 2.180188 2.180325 1.095189 10.183433 11.110855 11.370794 9.709106 11.553396 11.363147 8.499574 8.628664 7.060691 10.226179 9.081295 8.543243 9.941852 9.086802 10.811626 6.932750 7.635805 6.124396 4.360387 4.363451 2.512601 2.514572 0.000000 0.1775410 0.1659006 0.1046018 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= 307 307 307 308 308 MxSgAt= 50 MxSgA2= 50. 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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= 22578 NPrTT= 114161 LenC2= 19266 LenP2D= 57715. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 324 RedAO= T EigKep= 6.07D-04 NBF= 324 NBsUse= 324 1.00D-06 EigRej= -1.00D+00 NBFU= 324 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= 305 305 305 305 305 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 0 1 -1491.93113277120 -1491.78441591638 0.146716854819 -1492.23954418277 -0.455128266389 -1491.45642732720 0.783116855568 -1492.61738792172 -1.160960594513 -1492.65137570117 -0.033987779452 -1492.65927963243 -0.007903931263 -1492.65977078590 -0.000491153465 -1492.65985644015 -0.000085654250 -1492.65986594950 -0.000009509349 -1492.65988427313 -0.000018323630 -1492.65990294667 -0.000018673540 -1492.65989366224 0.000009284428 -1492.65990513688 -0.000011474640 -1492.65990551539 -0.000000378516 -1492.65990551867 -0.000000003278 -1492.65990551899 -0.000000000314 -1492.65990551907 -0.000000000081 -1492.65990551906 0.000000000011 -1492.65990552 19 1.488221696354e+03 -8.994287361924e+03 3.263694806990e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 337466 IEndB= 337466 NGot= 402653184 MDV= 402437659 LenX= 402437659 LenY= 402332242 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. 3.07799103e-02 -1.09593354e-01 4.92368016e-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 44 45 46 47 48 49 50 15 8 8 8 8 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 1 1 1 1 1 -0.002398426 0.005970082 0.002968976 0.011947453 0.025910642 0.030937829 0.018164959 -0.026397167 0.032160516 -0.034669448 -0.012810278 0.031420572 0.005790680 0.002327860 -0.083135395 -0.042823225 0.001262406 -0.011856637 0.019652591 0.032279033 -0.004343919 0.003569934 -0.010274336 0.018105900 -0.012392403 0.001370760 0.017821151 0.010010552 0.015435028 -0.012659371 0.011178189 -0.011905587 -0.016266071 -0.008812393 0.002114319 -0.002080916 0.006918211 0.007447534 -0.001068387 -0.009159588 0.000956715 -0.000314366 0.005543064 0.007282014 0.000573746 -0.012028691 -0.000128197 -0.002901242 0.005835906 0.010970063 -0.000364539 -0.001527565 -0.000550538 0.012757167 -0.001480587 0.000309467 0.012189862 0.004646718 0.007991571 -0.002839258 0.007677408 -0.004534621 -0.005248022 0.012933732 -0.019087689 -0.005919136 0.014082684 -0.004479163 -0.009547100 -0.015389901 0.000937058 0.009783717 0.004994143 -0.001432726 -0.003059674 -0.002375856 -0.005916456 0.002586005 0.006556877 -0.013993111 -0.001577301 -0.001891653 -0.003683192 0.005241485 -0.002741570 0.002928333 0.005259372 0.001310909 0.004327227 -0.004726743 0.003294188 -0.002969739 -0.004822562 -0.006589503 0.000723679 -0.001291426 0.003963780 0.005369043 -0.000441141 0.005744983 -0.001806041 -0.001053855 -0.005648271 -0.001148530 0.003941295 0.002943785 -0.006901681 0.000463710 0.001430602 0.005118117 0.004318257 -0.007531867 0.000562128 -0.000035344 -0.004100158 -0.004116832 -0.001854452 0.006827925 -0.001552548 0.000958044 0.006056196 -0.002719646 -0.004963491 -0.003491815 0.003323098 -0.003590852 -0.008030277 -0.004615533 -0.004008354 0.004105734 0.002317016 -0.002264773 -0.002691781 -0.008388054 0.001729855 0.001209271 0.008862393 -0.002428023 -0.004830556 0.003111589 0.002626461 0.005075434 0.000203616 -0.003470084 -0.003407630 -0.004184323 0.002940425 0.002547254 -0.005814803 -0.000651914 0.083135395 0.012229060 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1492.71369226637 -1492.71370850480 -0.000016238428 -1492.71370741684 0.000001087961 -1492.71370871823 -0.000001301391 -1492.71370872170 -0.000000003475 -1492.71370873006 -0.000000008361 -1492.71370873079 -0.000000000729 -1492.71370873101 -0.000000000214 -1492.71370873102 -0.000000000018 -1492.71370873 9 1.485738498399e+03 -8.806801652179e+03 3.171984377243e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 337466 IEndB= 337466 NGot= 402653184 MDV= 402437659 LenX= 402437659 LenY= 402332242 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 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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|44 H 1S|2S|45 H 1S|2S|46 H 1S|2S|47 H 1S|2S|48 H 1S|2S|49 H 1S|2S|50 H 1S|2S 0.74232 1.22720 0.95557 1.02471 1.06928 0.21886 1.82750 1.82750 1.83076 0.16622 0.16611 0.16468 0.52541 0.52708 0.57437 0.33226 0.33082 0.16017 1.13239 0.85934 0.93535 0.96410 1.03704 1.17787 1.19915 0.30869 0.47328 0.47286 1.13239 0.85934 0.93879 0.95007 1.06449 1.12048 1.22799 0.36954 0.38263 0.48360 1.13239 0.85933 0.93710 0.96375 1.20612 0.96863 1.24057 0.48510 0.26544 0.48440 1.13272 0.85904 0.96546 1.01750 1.18956 1.19062 0.93191 0.47916 0.48028 0.32696 1.17444 0.81376 0.76290 0.41121 0.73888 0.89507 0.89269 0.02457 0.12589 0.09024 1.17444 0.81376 0.76308 0.40979 0.83316 0.76216 0.93095 0.15520 0.03190 0.06078 1.17441 0.81393 0.75977 0.37895 0.91181 0.82315 0.84344 -0.15228 0.05620 0.03147 1.17441 0.81393 0.75943 0.38675 0.83838 0.88076 0.85827 0.03920 -0.07611 -0.02790 1.17441 0.81394 0.75980 0.37471 0.92116 0.82063 0.83620 -0.10366 0.02180 0.00452 1.17441 0.81394 0.75933 0.38097 0.83203 0.89163 0.85421 0.00349 -0.03557 -0.03032 1.17439 0.81407 0.75208 0.55160 0.91886 0.83921 0.85498 0.13336 0.19665 0.18072 1.17439 0.81407 0.75211 0.54883 0.84042 0.89054 0.88195 0.15381 0.15946 0.19783 1.17439 0.81407 0.75220 0.55205 0.90501 0.84859 0.85941 0.04883 0.23259 0.22337 1.17439 0.81407 0.75222 0.54919 0.85243 0.87939 0.88059 0.20922 0.09238 0.20483 1.17441 0.81414 0.75618 0.51543 0.93530 0.82669 0.84292 0.11712 0.13070 0.11201 1.17441 0.81414 0.75601 0.51573 0.84274 0.90058 0.86159 0.16225 0.13903 0.05941 1.17417 0.81430 0.72089 0.74231 0.94319 0.90635 0.88860 0.22316 0.20110 0.18585 1.17417 0.81429 0.72041 0.74593 0.91708 0.93629 0.88606 0.20567 0.22817 0.18101 1.17417 0.81430 0.71993 0.74528 0.89698 0.92132 0.92188 0.17775 0.21646 0.22331 1.17417 0.81430 0.72011 0.74447 0.94268 0.89759 0.89999 0.23436 0.18361 0.19626 1.17449 0.81403 0.77490 0.32264 0.81677 0.74212 0.95771 0.13628 -0.00243 -0.11651 1.17437 0.81411 0.75389 0.53582 0.80276 0.90301 0.91858 0.22551 0.09080 0.11443 1.17438 0.81411 0.75423 0.54338 0.79094 0.89542 0.93241 0.20596 0.08757 0.16787 1.17443 0.81416 0.75751 0.52218 0.77730 0.88427 0.93861 0.19649 0.02019 0.11170 1.17443 0.81418 0.75779 0.51545 0.78196 0.88966 0.92940 0.21827 0.06053 0.05200 1.17441 0.81420 0.75546 0.52835 0.78940 0.91030 0.90502 0.22395 0.16353 -0.02082 0.51594 0.24761 0.51595 0.24711 0.51587 0.24815 0.51585 0.24800 0.51580 0.25739 0.51578 0.25747 0.50622 0.25540 0.51167 0.27307 0.50464 0.22168 0.51177 0.27348 0.50426 0.21733 0.50614 0.25287 0.50632 0.25256 0.50260 0.21948 0.51145 0.26811 0.50254 0.21787 0.51167 0.27056 0.50588 0.25313 0.50742 0.20799 0.51068 0.23061 0.51502 0.25290 0.51526 0.25230 0.51530 0.25298 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 47 48 49 50 P O O O O 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 H H H H H 1.329177 -0.560069 -0.529310 -0.542818 -0.573220 0.070354 0.064769 0.359138 0.352873 0.376493 0.355900 -0.415930 -0.413413 -0.410517 -0.408707 -0.224917 -0.225886 -0.799928 -0.809075 -0.811372 -0.807555 0.379999 -0.333287 -0.366284 -0.196832 -0.193676 -0.243809 0.236445 0.236937 0.235984 0.236151 0.226811 0.226744 0.238374 0.215263 0.273677 0.214750 0.278413 0.240986 0.241119 0.277928 0.220440 0.279596 0.217766 0.240989 0.284589 0.258703 0.232081 0.232443 0.231714 0.00000 1.01980208e-01 -4.90563323e-02 2.42460075e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.2592 -0.1247 0.6163 0.6801 -155.7149 -147.2846 -160.6288 -1.9869 -2.3868 -2.0313 -1.1722 7.2582 -6.0860 -1.9869 -2.3868 -2.0313 -55.7728 -51.4630 17.1125 59.4481 33.0352 -23.7885 5.2048 -4.3362 -5.3375 14.1925 -6099.8246 -6211.2684 -1624.4564 160.7304 -221.9505 -35.9340 50.4642 -116.3640 7.7389 -2126.2768 -1336.3935 -1249.3052 -114.5536 54.9229 3.9552 0 -1492.7137087 3.412E-9 1.462E-5 -0.8714668,5.396279,-4.5248122,-1.477192,-1.7745375,-1.5102379 C01 [X(C22H23O4P1)] 0.1019802 -0.0490563 0.2424601 @ -0.000023996 -0.000035675 -0.000061160 0.000058329 0.000033268 0.000012909 0.000008270 -0.000016001 0.000017795 0.000026577 -0.000031995 0.000012578 0.000002404 0.000023451 0.000032998 -0.000091243 -0.000004346 -0.000007855 0.000012702 0.000014585 -0.000002158 0.000027827 -0.000006384 0.000010614 -0.000004692 0.000006248 0.000015935 0.000022212 0.000008606 0.000004523 -0.000001640 -0.000011193 -0.000002541 -0.000008550 0.000016554 -0.000006878 0.000010011 -0.000014546 0.000006064 -0.000002119 -0.000005905 0.000000532 0.000000857 0.000011175 0.000009584 0.000003014 -0.000000581 0.000011596 -0.000000154 -0.000010866 -0.000000587 -0.000001996 -0.000009119 -0.000011451 -0.000005352 -0.000013384 -0.000006749 -0.000004204 0.000015983 0.000013293 0.000005635 0.000004792 -0.000000390 -0.000021473 0.000027006 -0.000006343 0.000001930 -0.000005983 -0.000013872 0.000003464 -0.000016619 0.000000652 0.000001587 0.000001352 -0.000009394 -0.000002551 0.000005925 -0.000015606 -0.000006595 0.000004901 -0.000016547 0.000001987 -0.000003096 0.000001520 0.000001562 -0.000003431 0.000007299 -0.000000324 0.000007900 0.000009581 0.000000006 0.000001059 0.000005155 0.000002373 0.000004435 0.000006489 -0.000001351 -0.000001817 0.000011782 -0.000002148 0.000000582 0.000000387 0.000003724 -0.000003839 -0.000003732 -0.000000906 -0.000000947 0.000001618 -0.000002920 -0.000007221 0.000003867 0.000003798 -0.000005892 0.000005491 0.000010800 -0.000001689 0.000005579 -0.000000868 -0.000007821 -0.000000794 -0.000004265 0.000007345 0.000003109 -0.000001188 0.000005534 0.000011600 -0.000002632 0.000006111 -0.000000109 -0.000003457 0.000002931 0.000002916 -0.000006013 0.000003936 -0.000001742 0.000002077 0.000005888 -0.000004115 -0.000004049 -0.000001909 -0.000012951 -0.000003264 0.000005241 -0.000011106 -0.000000212 -0.000006325 -0.000015941 -0.000002984 0.000001777 -0.000013442 359.20676099999974 AuxInfo=1/0/N:18,20,19,21,27,25,26,16,17,12,14,13,15,23,24,8,10,9,11,22,6,7,5,4,2,3,1/E:(1,2,3,4)(6,7)(8,9)(10,11,12,13)(14,15)(16,17,18,19)(21,22)(25,26)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.1,27.4/rA:50P4OOOO1C3C3C3C3C3C3C3C3C3C3C3C3CCCCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s1;s2;s3;s6;s7;s6;s7;s8;s9;s10;s11;s12s14;s13s15;s8;s9;s10;s11;s4;s22;s22;s23;s24;s25s26;s12;s13;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s21;s21;s21;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2063 CBGUSER 000090227 EM64L-G09RevD.01 17-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 144 C1[X(C22H23O4P)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 359.20676099999974 0 1 AuxInfo=1/0/N:18,20,19,21,27,25,26,16,17,12,14,13,15,23,24,8,10,9,11,22,6,7,5,4,2,3,1/E:(1,2,3,4)(6,7)(8,9)(10,11,12,13)(14,15)(16,17,18,19)(21,22)(25,26)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.1,27.4/rA:50P4OOOO1C3C3C3C3C3C3C3C3C3C3C3C3CCCCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s1;s2;s3;s6;s7;s6;s7;s8;s9;s10;s11;s12s14;s13s15;s8;s9;s10;s11;s4;s22;s22;s23;s24;s25s26;s12;s13;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s21;s21;s21;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-20508.inp" -scrdir="/scratch/" chk=000090227-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 000090227 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 31 16 16 16 16 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 1 1 1 1 1 30.9737634 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 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000419 0.000089 0.078267 0.024460 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -4.675734e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2656.3650759378 324 752 324 101 101 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 50 50 50 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 0 0 0 0 359.20676099999974 AuxInfo=1/0/N:18,20,19,21,27,25,26,16,17,12,14,13,15,23,24,8,10,9,11,22,6,7,5,4,2,3,1/E:(1,2,3,4)(6,7)(8,9)(10,11,12,13)(14,15)(16,17,18,19)(21,22)(25,26)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.1,27.4/rA:50P4OOOO1C3C3C3C3C3C3C3C3C3C3C3C3CCCCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s1;s2;s3;s6;s7;s6;s7;s8;s9;s10;s11;s12s14;s13s15;s8;s9;s10;s11;s4;s22;s22;s23;s24;s25s26;s12;s13;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s21;s21;s21;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.731927 0.000000 1.729508 2.678192 0.000000 1.734174 2.671541 2.635035 0.000000 1.588152 2.835534 2.853851 2.826122 0.000000 2.792771 1.442145 4.065253 3.527952 3.357984 0.000000 2.794226 3.346380 1.442471 4.037565 3.525100 4.653812 0.000000 3.701221 2.439271 4.995590 3.811953 4.391094 1.418197 5.784997 0.000000 3.693626 3.606202 2.440455 4.834933 4.636922 4.855248 1.418730 5.914900 0.000000 3.554446 2.460886 4.780277 4.652633 3.589635 1.417959 5.047286 2.503562 5.245015 0.000000 3.568145 4.425075 2.461764 4.896745 3.727406 5.594985 1.418421 6.829802 2.503825 5.743114 0.000000 4.956228 3.722329 6.335817 5.101886 5.368506 2.416777 7.040737 1.417030 7.134898 2.853771 8.007918 0.000000 4.949907 4.822906 3.723877 6.210165 5.654770 5.930706 2.417489 7.067521 1.417341 6.069522 2.853721 8.187035 0.000000 4.850197 3.735808 6.171331 5.743820 4.750785 2.415760 6.461948 2.851742 6.602391 1.417597 7.125124 2.448290 7.362084 0.000000 4.858914 5.448795 3.737240 6.257293 4.953418 6.536889 2.416606 7.832673 2.852176 6.495322 1.417722 8.941705 2.448224 7.824046 0.000000 5.427616 4.226253 6.833064 5.932156 5.519545 2.787058 7.330601 2.462183 7.432730 2.463395 8.137828 1.412333 8.320063 1.411866 8.941934 0.000000 5.428074 5.615242 4.228158 6.813565 5.787651 6.681976 2.788205 7.936959 2.462761 6.639082 2.463767 9.021177 1.412289 7.929545 1.412120 9.022826 0.000000 3.878341 2.864432 4.942567 3.369446 4.916029 2.558477 5.951334 1.515038 6.056016 3.884833 7.128799 2.560431 7.338965 4.366417 8.227443 3.858572 8.320457 0.000000 3.864088 3.291110 2.865848 4.633913 5.149071 4.492535 2.558718 5.268517 1.514430 5.157622 3.884808 6.507810 2.559856 6.419829 4.366182 7.006850 3.858193 5.183223 0.000000 3.590178 2.910481 4.494258 5.089922 3.328601 2.562970 4.380183 3.888451 4.640869 1.515511 4.794022 4.369167 5.218762 2.558359 5.352190 3.857864 5.542972 5.116710 4.965584 0.000000 3.621676 4.930824 2.909468 4.771489 3.318560 6.002076 2.562857 7.186191 3.888378 6.149835 1.515784 8.332167 4.369142 7.477651 2.559081 8.460493 3.858639 7.472377 5.116199 5.256641 0.000000 2.777158 4.058523 3.350538 1.434899 3.399431 4.876732 4.752534 5.110626 5.742886 5.905848 5.350173 6.311367 7.069548 6.957566 6.761553 7.132950 7.506715 4.579132 5.708298 6.233806 4.874031 0.000000 3.333788 4.799751 4.132788 2.484747 3.273603 5.417716 5.392740 5.738196 6.565169 6.216071 5.680743 6.775898 7.797949 7.177022 7.086459 7.423458 8.024589 5.461701 6.759707 6.438273 4.861906 1.411903 0.000000 3.875522 4.987516 3.972242 2.415068 4.716599 5.917635 5.351164 6.005540 6.204468 7.067060 6.019782 7.249084 7.532050 8.131880 7.384046 8.212637 8.047016 5.173423 6.020379 7.425097 5.631310 1.409641 2.468921 0.000000 4.688914 6.189632 5.252361 3.756271 4.555401 6.823711 6.464781 7.077058 7.679973 7.614229 6.608658 8.075643 8.870974 8.540938 7.982911 8.747516 9.006935 6.691497 7.919937 7.799263 5.615236 2.426106 1.413591 2.832170 0.000000 5.089189 6.336922 5.135348 3.712902 5.677384 7.223514 6.438502 7.291186 7.383775 8.318176 6.909289 8.469658 8.647964 9.350050 8.255683 9.418174 9.035709 6.456841 7.309796 8.627713 6.297969 2.428732 2.839669 1.412775 2.448619 0.000000 5.423336 6.849357 5.682481 4.236835 5.614333 7.616073 6.931468 7.760738 8.048294 8.559747 7.173884 8.839734 9.261560 9.534565 8.530075 9.660129 9.478070 7.123668 8.166296 8.794311 6.291404 2.804909 2.457208 2.452669 1.414501 1.414925 0.000000 5.789342 4.603536 7.151698 5.665561 6.271020 3.412880 7.948217 2.169799 8.013385 3.949717 8.969213 1.095975 9.106521 3.441786 9.939894 2.179903 10.001315 2.760562 7.260282 5.465070 9.270923 6.793259 7.289583 7.613624 8.511969 8.783763 9.191007 0.000000 5.779786 5.392945 4.605198 6.967176 6.582014 6.411655 3.413624 7.462025 2.170122 6.541642 3.949618 8.523123 1.095960 7.747937 3.441531 8.654565 2.179481 7.711356 2.760062 5.772895 5.464906 7.907660 8.725232 8.302023 9.822648 9.459176 10.161905 9.401867 0.000000 5.628268 4.623372 6.892245 6.668508 5.313521 3.411923 7.021849 3.947658 7.157742 2.169959 7.532318 3.441415 7.756313 1.095953 8.095640 2.178799 8.196302 5.462239 7.120324 2.755869 7.872309 7.834760 7.942704 9.060299 9.284113 10.248171 10.351735 4.347310 8.124421 0.000000 5.641140 6.364123 4.624394 7.041695 5.487600 7.384651 3.412559 8.713792 3.948145 7.231736 2.169786 9.777646 3.441625 8.514330 1.096036 9.693778 2.179392 9.166582 5.462008 5.986270 2.756290 7.413936 7.571322 8.062374 8.360991 8.814699 8.952804 10.797478 4.347335 8.692789 0.000000 6.497091 5.321550 7.924353 6.954521 6.498833 3.882555 8.402527 3.450973 8.483245 3.451911 9.175898 2.176550 9.321233 2.176101 9.942110 1.095506 10.006573 4.735386 8.046109 4.733154 9.475535 8.108780 8.333070 9.188004 9.617194 10.357183 10.554511 2.509348 9.616339 2.507800 10.663902 0.000000 6.497126 6.614488 5.323512 7.906285 6.782621 7.609093 3.883713 8.877669 3.451627 7.455828 3.452256 9.903550 2.176740 8.681268 2.176321 9.821987 1.095520 9.313700 4.735008 6.281928 4.734007 8.595027 9.083984 9.122447 10.041780 10.085444 10.513188 10.895190 2.509075 8.853217 2.508533 10.766103 0.000000 4.005153 2.829707 4.703912 3.590456 5.277682 2.887297 5.608599 2.171985 5.496269 4.224942 6.901493 3.278482 6.756406 4.856444 7.917281 4.487070 7.857860 1.105773 4.428229 5.303511 7.434425 4.858993 5.927624 5.270923 7.150154 6.618172 7.450812 3.514403 7.021865 5.928499 8.919441 5.388595 8.825263 0.000000 4.926533 3.952785 6.012198 4.245044 5.880471 3.466387 7.046900 2.166186 7.119452 4.668879 8.227289 2.654137 8.391792 4.875234 9.329901 4.063675 9.404050 1.102880 6.168157 6.016120 8.536047 5.301624 6.135277 5.785292 7.269058 6.973500 7.640056 2.391809 8.713462 5.951216 10.268789 4.747410 10.387457 1.791545 0.000000 3.347113 2.846882 4.454892 2.455219 4.389382 2.874145 5.644514 2.178807 5.967654 4.239545 6.751169 3.312792 7.326383 4.889565 7.963680 4.525864 8.214076 1.104483 5.237109 5.316387 6.918324 3.538864 4.437379 4.134141 5.622408 5.384891 6.025010 3.556549 7.823314 5.968087 8.860533 5.434574 9.257400 1.768238 1.794101 0.000000 4.922080 4.156533 3.953704 5.683243 6.165405 5.192981 3.467382 5.900673 2.166590 5.756502 4.668987 7.036833 2.654190 6.918374 4.875077 7.488117 4.063514 5.836386 1.102987 5.551269 6.015454 6.779955 7.855676 7.029689 9.012644 8.313786 9.221654 7.752337 2.391826 7.561056 5.950957 8.473670 4.747182 4.977315 6.746056 6.038856 0.000000 3.353423 2.381263 2.874432 4.133899 4.663747 3.462157 2.885029 4.195047 2.173692 4.198176 4.247691 5.409890 3.294178 5.411619 4.885797 5.926709 4.511098 4.208348 1.104526 4.230045 5.335065 5.381680 6.411183 5.849958 7.669196 7.214324 8.023021 6.168481 3.530150 6.171608 5.965042 6.963999 5.415121 3.501193 5.200535 4.376845 1.794792 0.000000 3.953207 3.633760 2.800413 4.332254 5.383373 4.929841 2.870400 5.525314 2.170809 5.807849 4.210905 6.849446 3.291967 7.073962 4.854300 7.526942 4.496407 5.141829 1.105405 5.756504 5.278032 5.260760 6.435788 5.335739 7.491336 6.584202 7.562088 7.503350 3.537450 7.865058 5.925594 8.581836 5.403046 4.339008 6.079610 5.049612 1.792169 1.770532 0.000000 3.514073 2.732507 4.005068 5.090018 3.597516 2.826536 3.647783 4.189951 3.683230 2.177889 4.169005 4.873670 4.175257 3.349256 4.599948 4.546098 4.601009 5.229259 4.049674 1.105406 4.920469 6.280515 6.660945 7.345596 8.018870 8.594829 8.893230 5.947367 4.678465 3.621634 5.339428 5.469026 5.335966 5.186082 6.201668 5.447018 4.559934 3.424742 4.935637 0.000000 3.170277 3.066228 4.154585 4.732556 2.489935 2.955410 4.117413 4.293813 4.706047 2.172035 4.301590 4.880788 5.334546 3.225638 4.989266 4.458146 5.458590 5.408890 5.246371 1.105852 4.483954 5.695393 5.712877 6.958537 7.018029 8.059561 8.088400 5.958756 6.060165 3.418490 5.513624 5.338066 6.248999 5.688883 6.343713 5.386580 5.977692 4.616330 5.927268 1.777746 0.000000 4.672848 3.981174 5.528857 6.171952 4.247925 3.463353 5.267022 4.663454 5.442385 2.166540 5.530259 4.872743 5.805707 2.657206 5.886114 4.063450 6.012267 6.003972 5.825452 1.102793 5.993425 7.287988 7.404995 8.506148 8.741047 9.686357 9.793503 5.947961 6.275727 2.399234 6.407777 4.747631 6.606317 6.212768 6.825089 6.289346 6.288069 5.126061 6.696306 1.790628 1.789570 0.000000 3.145051 4.503800 3.007149 4.396646 2.429141 5.387922 2.935175 6.578681 4.286943 5.437786 2.178869 7.631499 4.895607 6.696205 3.261349 7.683766 4.490644 6.998971 5.389337 4.580325 1.105392 4.554441 4.355206 5.542111 5.221819 6.246911 6.108826 8.581469 5.975180 7.060969 3.468815 8.663806 5.380109 7.108422 8.036597 6.447588 6.339198 5.382383 5.624795 4.457261 3.679460 5.304385 0.000000 4.693358 5.971536 3.988363 5.837980 4.211128 6.984116 3.466034 8.208850 4.665169 7.000702 2.165830 9.306674 4.871502 8.285644 2.652138 9.342393 4.059867 8.553552 6.007082 5.970652 1.102685 5.837577 5.681442 6.556578 6.279335 7.085334 6.958888 10.268855 5.946476 8.577153 2.389659 10.326678 4.742515 8.524601 9.616327 8.002895 6.826004 6.300502 6.205438 5.649818 5.159638 6.576396 1.791833 0.000000 3.617447 5.103970 2.775999 4.385267 3.539737 6.269306 2.841512 7.311688 4.193435 6.637180 2.173362 8.535290 4.861003 7.978586 3.324246 8.828082 4.522605 7.384804 5.241105 5.945225 1.105506 4.231960 4.265167 4.809367 4.863062 5.354204 5.378567 9.397392 5.932862 8.485271 3.586367 9.866434 5.438765 7.338387 8.413955 6.708346 6.200752 5.500664 5.169051 5.625085 5.181671 6.783948 1.772583 1.791511 0.000000 3.102458 4.538207 4.206862 2.731697 2.582535 4.969910 5.338142 5.409493 6.544968 5.568635 5.524842 6.331074 7.716280 6.465354 6.892137 6.803044 7.867442 5.421549 6.842149 5.735463 4.661075 2.180142 1.094385 3.455298 2.191760 3.933960 3.455320 6.927796 8.664337 7.145261 7.327578 7.679266 8.902715 5.992312 6.126294 4.502333 7.932616 6.402286 6.692521 6.093988 4.937054 6.629851 3.938106 5.445606 4.293190 0.000000 4.045563 4.864156 3.908491 2.602973 5.179192 5.872445 5.248253 5.883540 5.876831 7.119114 6.110516 7.181237 7.220954 8.202836 7.408164 8.232412 7.893213 4.884786 5.476981 7.532252 5.983241 2.167212 3.448268 1.093822 3.925629 2.196341 3.455092 7.504182 7.882990 9.177723 8.185525 9.224587 8.957557 4.777033 5.482757 3.948278 6.408997 5.355994 4.673654 7.332861 7.206874 8.632616 6.003680 6.954424 5.198086 4.341094 0.000000 5.382308 6.913341 6.036880 4.648167 4.945776 7.437218 7.153195 7.732599 8.437362 8.084746 7.129853 8.625517 9.563915 8.936617 8.459714 9.181922 9.577832 7.485566 8.789338 8.204197 5.978925 3.419408 2.170668 3.927577 1.095408 3.442241 2.180434 9.074288 10.555681 9.594634 8.722525 9.994524 10.579564 8.027673 8.038863 6.443695 9.890131 8.521377 8.432275 8.519406 7.338472 9.068978 5.497264 6.506843 5.304773 2.517792 5.020994 0.000000 5.991901 7.144949 5.853035 4.584768 6.696076 8.079028 7.108442 8.077583 7.951208 9.233868 7.616748 9.272108 9.191182 10.274194 8.909937 10.292600 9.623057 7.109553 7.791539 9.563161 7.082583 3.421956 3.935035 2.172349 3.442932 1.095369 2.182043 9.523162 9.945744 11.202014 9.480219 11.231101 10.650230 7.170783 7.559348 6.072254 8.732809 7.781675 6.956121 9.462746 9.040019 10.637566 7.146713 7.838209 6.084910 5.029310 2.529447 4.350015 0.000000 6.492857 7.941746 6.692614 5.331708 6.601943 8.696847 7.890705 8.821264 9.025985 9.619052 8.041174 9.867243 10.199756 10.571982 9.359550 10.684175 10.353198 8.163462 9.180590 9.830227 7.073687 3.900097 3.447664 3.444104 2.180188 2.180325 1.095189 10.183434 11.110855 11.370794 9.709106 11.553396 11.363147 8.499574 8.628665 7.060692 10.226179 9.081295 8.543242 9.941852 9.086802 10.811626 6.932750 7.635805 6.124397 4.360387 4.363451 2.512602 2.514571 0.000000 C22H23O4P 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 0 0 0 0 359.20676099999974 AuxInfo=1/0/N:18,20,19,21,27,25,26,16,17,12,14,13,15,23,24,8,10,9,11,22,6,7,5,4,2,3,1/E:(1,2,3,4)(6,7)(8,9)(10,11,12,13)(14,15)(16,17,18,19)(21,22)(25,26)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.1,27.4/rA:50P4OOOO1C3C3C3C3C3C3C3C3C3C3C3C3CCCCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s1;s2;s3;s6;s7;s6;s7;s8;s9;s10;s11;s12s14;s13s15;s8;s9;s10;s11;s4;s22;s22;s23;s24;s25s26;s12;s13;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s21;s21;s21;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.1775411 0.1659006 0.1046018 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= 22578 NPrTT= 114161 LenC2= 19266 LenP2D= 57715. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 324 RedAO= T EigKep= 6.07D-04 NBF= 324 NBsUse= 324 1.00D-06 EigRej= -1.00D+00 NBFU= 324 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= 305 305 305 305 305 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 0 1 -1492.01092211427 -1491.62774438502 0.383177729249 -1492.05723017400 -0.429485788983 -1491.50930749405 0.547922679954 -1492.69505505888 -1.185747564829 -1492.69443101416 0.000624044720 -1492.71281384054 -0.018382826385 -1492.71374336848 -0.000929527940 -1492.71384187447 -0.000098505981 -1492.71386089715 -0.000019022686 -1492.71356674911 0.000294148041 -1492.71356864362 -0.000001894511 -1492.71355543678 0.000013206846 -1492.71358177235 -0.000026335577 -1492.71358261438 -0.000000842027 -1492.71358263158 -0.000000017200 -1492.71358263275 -0.000000001170 -1492.71358263269 0.000000000057 -1492.71358263280 -0.000000000107 -1492.71358263 19 1.485739198641e+03 -8.806803202858e+03 3.171985345647e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 338002 IEndB= 338002 NGot= 402653184 MDV= 402437123 LenX= 402437123 LenY= 402331706 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= 50. Will process 51 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111111 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= 402652356 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= 740000000 NMat= 153 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= 153 NMatS0= 153 NMatT0= 0 NMatD0= 153 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 153 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 150 vectors produced by pass 0 Test12= 2.25D-14 1.00D-09 XBig12= 5.04D+02 9.52D+00. AX will form 150 AO Fock derivatives at one time. 150 vectors produced by pass 1 Test12= 2.25D-14 1.00D-09 XBig12= 1.68D+02 2.96D+00. 150 vectors produced by pass 2 Test12= 2.25D-14 1.00D-09 XBig12= 8.25D-01 1.16D-01. 150 vectors produced by pass 3 Test12= 2.25D-14 1.00D-09 XBig12= 2.30D-04 1.12D-03. 102 vectors produced by pass 4 Test12= 2.25D-14 1.00D-09 XBig12= 3.29D-08 1.67D-05. 13 vectors produced by pass 5 Test12= 2.25D-14 1.00D-09 XBig12= 3.20D-12 1.48D-07. 3 vectors produced by pass 6 Test12= 2.25D-14 1.00D-09 XBig12= 1.98D-15 2.73D-09. InvSVY: IOpt=1 It= 1 EMax= 3.20D-14 Solved reduced A of dimension 718 with 153 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 277.67 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 307.219 -6.344 287.317 2.201 -14.512 238.464 514.726 -16.570 477.202 6.147 -36.037 516.550 (Enter /mnt/data/applications/G09/g09/l716.exe) PT12163.700S 2017-06-17T01:42:24.000+02:00 -76.53742 -18.81619 -18.81509 -18.81318 -18.76701 -9.97828 -9.96599 -9.96563 -9.92180 -9.92157 -9.92133 -9.92120 -9.91740 -9.91679 -9.91629 -9.91464 -9.91349 -9.90747 -9.90679 -9.90534 -9.90527 -9.90473 -9.90454 -9.88625 -9.88562 -9.88542 -9.88491 -6.50484 -4.72124 -4.72116 -4.72092 -1.00467 -0.96160 -0.95786 -0.89995 -0.78570 -0.78157 -0.78088 -0.71295 -0.71280 -0.69679 -0.68702 -0.68328 -0.67998 -0.63899 -0.62622 -0.61327 -0.61324 -0.59945 -0.56260 -0.55195 -0.54712 -0.52654 -0.52649 -0.51563 -0.49271 -0.48752 -0.45561 -0.44117 -0.43279 -0.42954 -0.42758 -0.42417 -0.40938 -0.40232 -0.39734 -0.39120 -0.38522 -0.37904 -0.37713 -0.37272 -0.36218 -0.36180 -0.36137 -0.36015 -0.35711 -0.35467 -0.34851 -0.34337 -0.33374 -0.32860 -0.32745 -0.32311 -0.31958 -0.31717 -0.31670 -0.30887 -0.30668 -0.30350 -0.29822 -0.29560 -0.28397 -0.27669 -0.25887 -0.25661 -0.23564 -0.22392 -0.21711 -0.21553 -0.21505 -0.21202 -0.08796 -0.04760 -0.04105 -0.03816 -0.03582 -0.03414 -0.03354 0.00001 0.00440 0.05216 0.08362 0.08397 0.08545 0.09576 0.09788 0.10307 0.10694 0.11040 0.11647 0.12173 0.12700 0.13437 0.13633 0.13799 0.14166 0.14395 0.14518 0.15007 0.15201 0.15456 0.15555 0.15777 0.16303 0.16594 0.16739 0.16915 0.17689 0.18300 0.18367 0.18740 0.19045 0.19590 0.20407 0.21072 0.21735 0.22182 0.22689 0.23753 0.24271 0.24357 0.24504 0.24831 0.25316 0.26305 0.26554 0.26763 0.27118 0.28232 0.28348 0.29121 0.30093 0.30367 0.30728 0.31117 0.31310 0.31850 0.32467 0.33167 0.34484 0.34616 0.34858 0.35276 0.35787 0.36105 0.36873 0.37125 0.37235 0.37287 0.37769 0.37916 0.38687 0.38830 0.39196 0.39547 0.39805 0.39833 0.39996 0.40642 0.41093 0.41103 0.41635 0.41741 0.42022 0.43119 0.43487 0.43954 0.44327 0.45024 0.45204 0.45535 0.46091 0.46443 0.46765 0.46966 0.48078 0.48714 0.51873 0.52874 0.53177 0.54003 0.55416 0.56870 0.57630 0.59193 0.59510 0.61011 0.61306 0.61689 0.62129 0.62657 0.62960 0.63889 0.65050 0.65485 0.66581 0.66822 0.68223 0.69982 0.70513 0.71079 0.72481 0.74753 0.75355 0.75691 0.78172 0.78876 0.79729 0.82475 0.83665 0.86993 0.88221 0.89325 0.90227 0.90404 0.91372 0.91761 0.93028 0.94999 0.95818 0.96283 0.97500 0.97828 0.98530 0.98617 1.00601 1.01061 1.01538 1.02585 1.04130 1.05393 1.08291 1.09088 1.09683 1.10376 1.10556 1.11863 1.14420 1.15309 1.15983 1.17441 1.17962 1.18244 1.18729 1.21874 1.23136 1.24254 1.25203 1.25693 1.26351 1.27057 1.29219 1.30880 1.32529 1.34028 1.34580 1.44177 1.44851 1.47026 1.54941 1.69784 1.72620 1.78106 4.69912 4.71550 4.75175 6.25462 22.26190 22.29144 22.29270 22.51069 22.54515 22.54729 22.54882 22.59133 22.59283 22.61969 22.63349 22.63685 22.64646 22.65012 22.65769 22.67529 22.68069 22.68842 22.69138 22.75935 22.79051 22.79552 41.47424 41.51548 41.52647 41.55705 166.61378 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 47 48 49 50 P O O O O 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 H H H H H 1.329746 -0.560182 -0.529092 -0.542703 -0.573717 0.070604 0.064701 0.359132 0.352770 0.376629 0.355597 -0.416064 -0.413366 -0.410622 -0.408517 -0.224899 -0.225819 -0.799817 -0.809020 -0.811433 -0.807386 0.379057 -0.332559 -0.365736 -0.196817 -0.193635 -0.243893 0.236507 0.236926 0.236001 0.236132 0.226789 0.226722 0.238330 0.215230 0.273639 0.214729 0.278437 0.240963 0.241115 0.277889 0.220448 0.279516 0.217764 0.240972 0.284115 0.258619 0.232030 0.232429 0.231740 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 P O O O O C C C C C C C C C C C C C C C C C C C C C C 1.329746 -0.560182 -0.529092 -0.542703 -0.573717 0.070604 0.064701 0.359132 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A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -9.4998 8.1467 9.8440 21.3556 37.0737 47.2777 69.7557 89.9377 93.9353 104.5608 116.2424 127.1913 131.1160 143.9799 151.0760 158.1561 171.5639 189.3039 226.2469 228.0541 235.0708 245.6516 262.7211 281.5147 291.0538 318.0575 327.6311 329.7091 377.3236 408.5608 412.9003 465.2835 470.9733 475.3719 479.2987 482.7451 517.2455 517.6172 536.2771 537.2510 539.0956 542.3400 556.0900 584.7871 607.8654 614.7561 657.5431 689.3332 705.7109 722.8868 735.3036 736.6125 765.3629 780.0821 781.0837 821.7637 828.5382 833.7111 835.1543 895.4331 896.7615 914.8037 918.8488 919.4123 969.6667 975.8122 975.9558 986.7492 989.5589 991.1612 991.6193 1019.7227 1034.4267 1042.4795 1043.5376 1050.9871 1052.1344 1054.4172 1055.2545 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