Gaussian 09 GINC-KIMIK2072 CBGUSER 000255787 EM64L-G09RevD.01 13-Feb-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 270.07352199999985 0 1 AuxInfo=1/0/N:15,16,17,18,11,12,13,14,7,8,9,10,5,6,3,4,1,2/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/CRV:13.1,14.1,17.4,18.4/rA:46P4P4OOO1O1CCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s1;s2;;s7;s3s7;s4s8;s1;s1;s2;s2;s11;s12;s13;s14;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;s16;s16;s16;s17;s17;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-2943.inp" -scrdir="/scratch/" chk=000255787.chk nprocshared=4 mem=3GB #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 000255787 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 31 31 16 16 16 16 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 1 1 1 1 1 30.9737634 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1 1 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 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 1 1 1 1 2 2 2 2 3 4 7 7 7 7 8 8 8 9 9 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 3 5 11 12 4 6 13 14 9 10 8 9 19 20 10 21 22 23 24 25 26 15 27 28 16 29 30 17 31 32 18 33 34 35 36 37 38 39 40 41 42 43 44 45 46 1.6744 1.4849 1.8815 1.8815 1.6744 1.4849 1.8815 1.8815 1.4432 1.4432 1.5265 1.5328 1.1096 1.1096 1.5328 1.1096 1.1096 1.1059 1.1059 1.1059 1.1059 1.5178 1.1088 1.1025 1.5178 1.1025 1.1088 1.5178 1.1088 1.1025 1.5178 1.1025 1.1088 1.0995 1.1029 1.0987 1.1029 1.0995 1.0987 1.0995 1.1029 1.0987 1.1029 1.0995 1.0987 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 3 5 5 11 4 4 4 6 6 13 1 2 8 8 8 9 9 19 7 7 7 10 10 21 3 3 3 7 7 23 4 4 4 8 8 25 1 1 1 15 15 27 1 1 1 16 16 29 2 2 2 17 17 31 2 2 2 18 18 33 11 11 11 35 35 36 12 12 12 38 38 39 13 13 13 41 41 42 14 14 14 44 44 45 1 1 1 1 1 1 2 2 2 2 2 2 3 4 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 5 11 12 11 12 12 6 13 14 13 14 14 9 10 9 19 20 19 20 20 10 21 22 21 22 22 7 23 24 23 24 24 8 25 26 25 26 26 15 27 28 27 28 28 16 29 30 29 30 30 17 31 32 31 32 32 18 33 34 33 34 34 35 36 37 36 37 37 38 39 40 39 40 40 41 42 43 42 43 43 44 45 46 45 46 46 108.4368 106.0827 106.0757 116.3973 116.3969 102.544 108.4368 106.0819 106.0766 116.3969 116.3973 102.544 118.9528 118.9529 111.2061 111.3046 111.3077 108.9375 108.933 104.9287 111.206 111.3077 111.3048 108.9353 108.935 104.9288 102.5389 110.3237 110.296 111.508 111.5087 110.4266 102.5387 110.307 110.3132 111.5077 111.5086 110.4267 108.2803 109.0184 111.8179 110.3549 111.4261 105.9187 108.2844 111.8171 109.0149 111.4268 110.3532 105.9196 108.2804 109.0179 111.8181 110.355 111.4259 105.9188 108.2842 111.8169 109.0154 111.4269 110.353 105.9195 113.0704 112.4293 110.8039 106.9995 106.7883 106.3445 112.4279 113.0705 110.8033 107.0003 106.3445 106.7896 113.07 112.4293 110.8039 106.9999 106.7884 106.3446 112.428 113.0709 110.8033 107.0 106.3444 106.7895 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 5 11 12 3 3 3 5 5 5 12 12 12 3 3 3 5 5 5 11 11 11 6 13 14 4 4 4 6 6 6 14 14 14 4 4 4 6 6 6 13 13 13 1 1 1 2 2 2 9 9 9 19 19 19 20 20 20 8 8 8 19 19 19 20 20 20 7 7 7 21 21 21 22 22 22 1 1 1 27 27 27 28 28 28 1 1 1 29 29 29 30 30 30 2 2 2 31 31 31 32 32 32 2 2 2 33 33 33 34 34 34 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 4 4 4 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 3 3 3 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 4 4 4 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 9 9 9 10 10 10 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 9 9 9 15 27 28 15 27 28 15 27 28 16 29 30 16 29 30 16 29 30 10 10 10 17 31 32 17 31 32 17 31 32 18 33 34 18 33 34 18 33 34 7 23 24 8 25 26 10 21 22 10 21 22 10 21 22 3 23 24 3 23 24 3 23 24 4 25 26 4 25 26 4 25 26 35 36 37 35 36 37 35 36 37 38 39 40 38 39 40 38 39 40 41 42 43 41 42 43 41 42 43 44 45 46 44 45 46 44 45 46 179.9298 54.208 -54.3532 61.1686 -178.7431 -61.9684 -59.5322 60.5561 177.3307 172.2309 -67.6809 49.0938 -60.9966 62.1437 178.9168 59.6987 -177.161 -60.3879 -172.0641 -48.9239 67.8493 179.9562 54.2355 -54.3258 61.1428 -178.769 -61.9943 -59.5571 60.5311 177.3058 172.2058 -67.706 49.0687 -61.0221 62.1181 178.8913 59.6741 -177.1857 -60.4125 -172.089 -48.9488 67.8243 179.8612 60.9862 -61.2758 179.9658 -61.1673 61.0952 -179.928 -58.2637 58.4102 58.407 -179.9287 -63.2548 -58.2665 63.3978 -179.9284 179.9794 -61.9808 61.9716 -56.9863 61.0535 -174.9941 56.9443 174.9841 -61.0635 -179.9673 62.0126 -61.9397 56.996 -61.0241 175.0236 -56.9346 -174.9547 61.0931 -61.8721 59.4329 178.282 178.879 -59.816 59.0332 61.5017 -177.1932 -58.3441 -59.4823 61.8228 -178.3301 177.1415 -61.5534 58.2937 59.7638 -178.9311 -59.084 -61.866 59.4392 178.2884 178.8856 -59.8092 59.04 61.5082 -177.1866 -58.3374 -59.476 61.829 -178.3237 177.1481 -61.5469 58.3004 59.7705 -178.9245 -59.0772 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 252 276 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= 14878 NPrTT= 71336 LenC2= 12077 LenP2D= 35587. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 252 RedAO= T EigKep= 2.25D-03 NBF= 252 NBsUse= 252 1.00D-06 EigRej= -1.00D+00 NBFU= 252 Using GEDIIS/GDIIS optimizer. local minimum Step number 7 out of a maximum of 252 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00223 0.00230 0.00230 0.00230 0.00332 0.00336 0.00415 0.00453 0.00531 0.00531 0.00531 0.01119 0.01120 0.02428 0.02438 0.03617 0.03617 0.03680 0.03742 0.03742 0.03744 0.04847 0.04851 0.04899 0.04901 0.04901 0.04901 0.05144 0.05219 0.05407 0.05426 0.05639 0.05639 0.05639 0.05644 0.05714 0.05714 0.05714 0.05725 0.05837 0.05857 0.07056 0.07535 0.08004 0.08029 0.08030 0.08032 0.08216 0.08282 0.10015 0.10016 0.10898 0.11277 0.11648 0.11953 0.11953 0.11957 0.12105 0.12123 0.13040 0.13484 0.13492 0.15992 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16075 0.16680 0.17510 0.17516 0.20622 0.20622 0.20622 0.20637 0.20858 0.21424 0.21895 0.21904 0.21904 0.21908 0.21958 0.21985 0.23027 0.23973 0.25000 0.29163 0.29556 0.30506 0.30584 0.30584 0.30587 0.31630 0.31983 0.32642 0.32644 0.32645 0.32651 0.32731 0.32732 0.32732 0.32960 0.33038 0.33040 0.33041 0.33089 0.33368 0.33368 0.33369 0.33396 0.33404 0.33404 0.33404 0.33409 0.33738 0.33738 0.33739 0.33816 0.33828 0.33828 0.33828 0.34885 0.39144 0.39153 0.39966 0.49850 0.81893 RFO step: Lambda=-1.33654351D-07. 1 2 3 0.00294178 0.00000247 0.00000000 0.00000117 0.00000010 0.00000010 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 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 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 3.35352 3.02191 3.56936 3.56935 3.35352 3.02191 3.56935 3.56935 2.78537 2.78537 2.92245 2.89680 2.09156 2.09156 2.89680 2.09156 2.09156 2.10129 2.10128 2.10129 2.10128 2.91368 2.08989 2.08960 2.91368 2.08959 2.08989 2.91367 2.08989 2.08960 2.91368 2.08959 2.08989 2.08698 2.08589 2.08717 2.08589 2.08698 2.08717 2.08698 2.08589 2.08717 2.08589 2.08698 2.08717 1.91412 1.82389 1.82377 1.99272 1.99275 1.90145 1.91412 1.82386 1.82381 1.99271 1.99275 1.90145 2.11126 2.11126 1.95259 1.93176 1.93185 1.89046 1.89044 1.86382 1.95259 1.93185 1.93176 1.89046 1.89044 1.86382 1.86013 1.93187 1.93196 1.92495 1.92500 1.89026 1.86013 1.93197 1.93187 1.92501 1.92495 1.89026 1.93433 1.85574 1.89959 1.93729 1.95368 1.87964 1.93435 1.89950 1.85576 1.95368 1.93731 1.87966 1.93432 1.85574 1.89957 1.93729 1.95369 1.87965 1.93436 1.89951 1.85576 1.95367 1.93731 1.87966 1.94280 1.92924 1.92752 1.87747 1.89210 1.89309 1.92925 1.94279 1.92752 1.87747 1.89308 1.89210 1.94280 1.92923 1.92753 1.87747 1.89210 1.89309 1.92926 1.94279 1.92752 1.87748 1.89308 1.89210 3.14139 0.99817 -0.99862 1.13455 -3.04156 -1.02118 -0.95664 1.15044 -3.11236 3.07588 -1.10023 0.92015 -1.13408 1.02160 3.04197 0.95705 3.11273 -1.15009 -3.07548 -0.91980 1.10057 3.14143 0.99825 -0.99855 1.13440 -3.04171 -1.02132 -0.95676 1.15032 -3.11249 3.07575 -1.10036 0.92002 -1.13423 1.02145 3.04182 0.95692 3.11260 -1.15022 -3.07562 -0.91993 1.10044 3.14128 1.04781 -1.04833 3.14140 -1.04819 1.04794 -3.14146 -1.03133 1.03167 1.03165 -3.14140 -1.07841 -1.03135 1.07879 -3.14140 -3.14083 -1.04289 1.04429 -1.00696 1.09098 -3.10503 1.00839 3.10633 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0.00006 0.00003 0.00007 0.00009 0.00006 0.00010 0.00003 0.00000 0.00004 0.00006 0.00007 0.00003 0.00003 0.00004 0.00000 0.00009 0.00010 0.00006 -0.00020 -0.00022 -0.00024 -0.00009 -0.00011 -0.00012 -0.00012 -0.00014 -0.00015 0.00023 0.00021 0.00025 0.00015 0.00013 0.00016 0.00012 0.00010 0.00013 -0.00021 -0.00023 -0.00024 -0.00010 -0.00012 -0.00013 -0.00012 -0.00014 -0.00016 0.00023 0.00021 0.00024 0.00015 0.00013 0.00016 0.00012 0.00010 0.00013 0.00017 -0.00005 0.00010 0.00010 0.00017 -0.00005 0.00010 0.00010 0.00002 0.00002 0.00005 -0.00007 -0.00003 -0.00002 -0.00007 -0.00002 -0.00003 0.00002 0.00001 0.00001 0.00002 0.00006 -0.00001 -0.00002 0.00004 0.00000 -0.00001 0.00006 -0.00001 -0.00002 0.00004 0.00000 -0.00001 -0.00007 -0.00003 -0.00004 -0.00003 -0.00006 -0.00004 -0.00007 -0.00003 -0.00004 -0.00003 -0.00006 -0.00004 0.00020 -0.00013 -0.00006 -0.00004 -0.00006 0.00008 0.00020 -0.00012 -0.00006 -0.00004 -0.00005 0.00008 -0.00010 -0.00010 -0.00004 0.00005 -0.00010 0.00003 0.00006 0.00000 -0.00004 -0.00010 0.00005 0.00006 0.00003 0.00000 -0.00015 0.00016 -0.00009 0.00010 0.00001 -0.00002 -0.00015 -0.00010 0.00016 0.00001 0.00010 -0.00002 0.00008 -0.00006 -0.00011 0.00002 0.00001 0.00006 0.00004 0.00000 -0.00007 0.00001 -0.00001 0.00004 0.00008 -0.00006 -0.00011 0.00002 0.00001 0.00006 0.00005 -0.00001 -0.00008 0.00000 -0.00002 0.00004 0.00005 0.00002 -0.00012 0.00000 0.00006 0.00000 0.00000 0.00004 -0.00011 0.00000 0.00001 0.00007 0.00005 0.00002 -0.00012 0.00000 0.00006 0.00000 0.00000 0.00004 -0.00012 0.00000 0.00001 0.00007 -0.00023 -0.00021 -0.00022 -0.00029 -0.00026 -0.00028 -0.00043 -0.00039 -0.00041 -0.00038 -0.00035 -0.00037 0.00003 0.00007 0.00007 0.00021 0.00024 0.00025 0.00017 0.00020 0.00021 -0.00028 -0.00026 -0.00027 -0.00027 -0.00023 -0.00025 -0.00040 -0.00037 -0.00039 -0.00036 -0.00033 -0.00035 0.00006 0.00009 0.00010 0.00023 0.00026 0.00027 0.00019 0.00022 0.00023 0.00013 0.00001 -0.00001 0.00006 -0.00008 -0.00006 0.00000 -0.00002 -0.00005 -0.00005 -0.00007 -0.00010 -0.00002 -0.00004 -0.00007 -0.00139 -0.00123 -0.00119 -0.00133 -0.00117 -0.00113 -0.00128 -0.00112 -0.00108 -0.00140 -0.00119 -0.00123 -0.00128 -0.00108 -0.00112 -0.00133 -0.00113 -0.00117 0.00001 0.00005 -0.00002 0.00002 0.00006 -0.00001 -0.00007 -0.00003 -0.00010 0.00007 0.00010 0.00013 0.00004 0.00007 0.00011 0.00000 0.00002 0.00006 -0.00001 0.00003 -0.00003 0.00000 0.00004 -0.00002 -0.00009 -0.00005 -0.00011 0.00006 0.00008 0.00012 0.00003 0.00005 0.00009 -0.00002 0.00001 0.00004 0.00014 -0.00037 0.00008 0.00008 0.00014 -0.00037 0.00008 0.00008 0.00011 0.00011 -0.00006 -0.00002 -0.00001 0.00000 -0.00002 0.00000 -0.00001 0.00002 0.00001 0.00001 0.00002 0.00004 0.00001 -0.00002 0.00003 -0.00001 0.00001 0.00004 0.00001 -0.00002 0.00003 -0.00001 0.00001 -0.00003 0.00000 -0.00002 0.00000 -0.00003 -0.00002 -0.00003 0.00000 -0.00002 0.00000 -0.00003 -0.00002 0.00030 -0.00016 -0.00009 -0.00009 -0.00010 0.00014 0.00030 -0.00016 -0.00010 -0.00009 -0.00010 0.00014 -0.00006 -0.00006 -0.00002 0.00008 -0.00007 0.00001 0.00003 -0.00002 -0.00002 -0.00007 0.00008 0.00003 0.00001 -0.00002 -0.00003 0.00005 -0.00019 0.00015 0.00006 -0.00004 -0.00003 -0.00019 0.00006 0.00006 0.00015 -0.00004 0.00016 -0.00016 -0.00012 -0.00004 0.00006 0.00009 0.00012 -0.00001 -0.00017 0.00006 -0.00008 0.00007 0.00016 -0.00015 -0.00012 -0.00004 0.00006 0.00009 0.00012 -0.00001 -0.00018 0.00006 -0.00008 0.00007 0.00002 -0.00004 -0.00012 0.00003 0.00010 0.00002 -0.00007 0.00002 -0.00011 0.00003 0.00003 0.00011 0.00002 -0.00005 -0.00012 0.00003 0.00010 0.00003 -0.00007 0.00002 -0.00011 0.00003 0.00003 0.00011 -0.00020 -0.00016 -0.00021 -0.00076 -0.00082 -0.00086 -0.00098 -0.00103 -0.00107 -0.00089 -0.00094 -0.00098 0.00049 0.00063 0.00062 0.00074 0.00088 0.00087 0.00066 0.00080 0.00079 -0.00026 -0.00022 -0.00027 -0.00073 -0.00079 -0.00082 -0.00094 -0.00100 -0.00104 -0.00085 -0.00091 -0.00095 0.00052 0.00066 0.00065 0.00077 0.00092 0.00090 0.00069 0.00083 0.00082 0.00015 -0.00004 0.00010 0.00007 0.00001 -0.00012 0.00000 -0.00003 -0.00005 -0.00005 -0.00008 -0.00010 -0.00003 -0.00005 -0.00008 -0.00133 -0.00120 -0.00112 -0.00125 -0.00112 -0.00103 -0.00125 -0.00112 -0.00104 -0.00134 -0.00112 -0.00120 -0.00125 -0.00103 -0.00112 -0.00125 -0.00103 -0.00111 -0.00019 -0.00017 -0.00025 -0.00007 -0.00005 -0.00013 -0.00019 -0.00017 -0.00025 0.00030 0.00031 0.00038 0.00020 0.00020 0.00027 0.00012 0.00012 0.00019 -0.00021 -0.00019 -0.00027 -0.00009 -0.00008 -0.00015 -0.00021 -0.00019 -0.00027 0.00028 0.00029 0.00036 0.00017 0.00018 0.00025 0.00010 0.00010 0.00017 3.35366 3.02154 3.56944 3.56943 3.35366 3.02154 3.56943 3.56944 2.78548 2.78548 2.92239 2.89678 2.09155 2.09155 2.89678 2.09155 2.09155 2.10131 2.10129 2.10129 2.10130 2.91372 2.08990 2.08958 2.91371 2.08958 2.08990 2.91371 2.08990 2.08958 2.91371 2.08958 2.08990 2.08695 2.08589 2.08715 2.08589 2.08695 2.08714 2.08695 2.08589 2.08714 2.08589 2.08695 2.08715 1.91442 1.82373 1.82368 1.99263 1.99264 1.90159 1.91442 1.82370 1.82371 1.99262 1.99265 1.90159 2.11120 2.11120 1.95257 1.93183 1.93178 1.89047 1.89047 1.86380 1.95257 1.93177 1.93184 1.89049 1.89045 1.86380 1.86011 1.93193 1.93177 1.92510 1.92506 1.89022 1.86011 1.93178 1.93192 1.92507 1.92510 1.89022 1.93449 1.85558 1.89947 1.93724 1.95374 1.87973 1.93447 1.89949 1.85559 1.95374 1.93724 1.87973 1.93448 1.85559 1.89946 1.93725 1.95375 1.87973 1.93448 1.89950 1.85558 1.95373 1.93723 1.87973 1.94282 1.92919 1.92740 1.87750 1.89220 1.89311 1.92918 1.94281 1.92741 1.87751 1.89312 1.89221 1.94282 1.92918 1.92741 1.87750 1.89220 1.89312 1.92919 1.94281 1.92740 1.87751 1.89311 1.89221 3.14119 0.99802 -0.99883 1.13379 -3.04238 -1.02204 -0.95761 1.14940 -3.11344 3.07499 -1.10118 0.91917 -1.13359 1.02223 3.04259 0.95779 3.11361 -1.14922 -3.07483 -0.91900 1.10135 3.14118 0.99803 -0.99882 1.13367 -3.04249 -1.02215 -0.95771 1.14932 -3.11353 3.07490 -1.10127 0.91907 -1.13371 1.02211 3.04247 0.95769 3.11351 -1.14931 -3.07493 -0.91910 1.10125 3.14143 1.04777 -1.04823 3.14147 -1.04818 1.04782 -3.14146 -1.03136 1.03162 1.03160 -3.14148 -1.07851 -1.03138 1.07873 -3.14148 3.14102 -1.04409 1.04316 -1.00821 1.08986 -3.10607 1.00714 3.10521 -1.09072 3.14110 1.04324 -1.04402 1.00721 -1.09066 3.10527 -1.00814 -3.10600 1.08992 -1.09361 0.99184 3.08682 3.13167 -1.06606 1.02892 1.03069 3.11614 -1.07206 -0.99193 1.09351 -3.08692 -3.11625 -1.03080 1.07196 1.06596 -3.13178 -1.02902 -1.09359 0.99185 3.08683 3.13169 -1.06606 1.02893 1.03069 3.11613 -1.07207 -0.99192 1.09353 -3.08690 -3.11625 -1.03080 1.07195 1.06597 -3.13176 -1.02901 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000148 0.000017 0.009425 0.002942 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -2.021019e-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 1 1 1 1 2 2 2 2 3 4 7 7 7 7 8 8 8 9 9 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 3 5 11 12 4 6 13 14 9 10 8 9 19 20 10 21 22 23 24 25 26 15 27 28 16 29 30 17 31 32 18 33 34 35 36 37 38 39 40 41 42 43 44 45 46 1.7746 1.5991 1.8888 1.8888 1.7746 1.5991 1.8888 1.8888 1.474 1.474 1.5465 1.5329 1.1068 1.1068 1.5329 1.1068 1.1068 1.112 1.1119 1.112 1.112 1.5419 1.1059 1.1058 1.5419 1.1058 1.1059 1.5419 1.1059 1.1058 1.5419 1.1058 1.1059 1.1044 1.1038 1.1045 1.1038 1.1044 1.1045 1.1044 1.1038 1.1045 1.1038 1.1044 1.1045 -DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 3 3 5 5 11 4 4 4 6 6 13 1 2 8 8 8 9 9 19 7 7 7 10 10 21 3 3 3 7 7 23 4 4 4 8 8 25 1 1 1 15 15 27 1 1 1 16 16 29 2 2 2 17 17 31 2 2 2 18 18 33 11 11 11 35 35 36 12 12 12 38 38 39 13 13 13 41 41 42 14 14 14 44 44 45 1 1 1 1 1 1 2 2 2 2 2 2 3 4 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 5 11 12 11 12 12 6 13 14 13 14 14 9 10 9 19 20 19 20 20 10 21 22 21 22 22 7 23 24 23 24 24 8 25 26 25 26 26 15 27 28 27 28 28 16 29 30 29 30 30 17 31 32 31 32 32 18 33 34 33 34 34 35 36 37 36 37 37 38 39 40 39 40 40 41 42 43 42 43 43 44 45 46 45 46 46 109.6711 104.5013 104.4946 114.1743 114.1759 108.9449 109.6711 104.4995 104.4965 114.1741 114.1762 108.9448 120.9665 120.9664 111.875 110.6815 110.6868 108.3155 108.3142 106.7889 111.8749 110.6867 110.6817 108.3153 108.3144 106.7889 106.5779 110.6882 110.6933 110.2918 110.2945 108.304 106.5779 110.6937 110.6878 110.2949 110.2914 108.304 110.8288 106.326 108.8383 110.9983 111.9378 107.6957 110.8301 108.8333 106.3274 111.9375 110.9999 107.6965 110.8284 106.3262 108.8375 110.9986 111.9383 107.6958 110.8306 108.8341 106.3272 111.9371 110.9995 107.6963 111.3145 110.537 110.4389 107.5712 108.4092 108.4661 110.538 111.3137 110.4387 107.5714 108.4655 108.4096 111.3143 110.5367 110.4391 107.5711 108.4095 108.4662 110.5383 111.3139 110.4385 107.5715 108.4654 108.4093 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 11 12 3 3 3 5 5 5 12 12 12 3 3 3 5 5 5 11 11 11 6 13 14 4 4 4 6 6 6 14 14 14 4 4 4 6 6 6 13 13 13 1 1 1 2 2 2 9 9 9 19 19 19 20 20 20 8 8 8 19 19 19 20 20 20 7 7 7 21 21 21 22 22 22 1 1 1 27 27 27 28 28 28 1 1 1 29 29 29 30 30 30 2 2 2 31 31 31 32 32 32 2 2 2 33 33 33 34 34 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 4 4 4 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 3 3 3 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 4 4 4 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 9 9 9 10 10 10 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 9 9 9 15 27 28 15 27 28 15 27 28 16 29 30 16 29 30 16 29 30 10 10 10 17 31 32 17 31 32 17 31 32 18 33 34 18 33 34 18 33 34 7 23 24 8 25 26 10 21 22 10 21 22 10 21 22 3 23 24 3 23 24 3 23 24 4 25 26 4 25 26 4 25 26 35 36 37 35 36 37 35 36 37 38 39 40 38 39 40 38 39 40 41 42 43 41 42 43 41 42 43 44 45 46 44 45 46 44 45 179.9881 57.191 -57.2168 65.005 -174.2685 -58.5091 -54.8112 65.9153 -178.3253 176.2349 -63.0386 52.7207 -64.9778 58.5335 174.2922 54.8348 178.3461 -65.8952 -176.2121 -52.7008 63.0579 179.9909 57.1952 -57.2126 64.9964 -174.2769 -58.5176 -54.8185 65.9083 -178.3324 176.2275 -63.0458 52.7135 -64.9868 58.5248 174.2835 54.8273 178.3388 -65.9025 -176.2199 -52.7084 63.0503 179.982 60.0348 -60.0647 179.9891 -60.0569 60.0426 -179.9925 -59.0907 59.1103 59.109 -179.9891 -61.7881 -59.092 61.8099 -179.9891 180.0439 -59.7531 59.8333 -57.6947 62.5083 -177.9053 57.7766 177.9796 -62.434 180.0485 59.8372 -59.7493 57.7806 -62.4307 177.9829 -57.6906 -177.902 62.5116 -62.6483 56.8382 176.8762 179.4358 -61.0777 58.9603 59.0652 178.5517 -61.4103 -56.8511 62.6357 -176.889 -178.559 -59.0722 61.4031 61.0683 -179.4449 -58.9695 -62.6461 56.8399 176.878 179.4378 -61.0762 58.9619 59.0664 178.5524 -61.4095 -56.8493 62.638 -176.8871 -178.5582 -59.0709 61.404 61.07 -179.4428 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 270.07352199999985 AuxInfo=1/0/N:15,16,17,18,11,12,13,14,7,8,9,10,5,6,3,4,1,2/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/CRV:13.1,14.1,17.4,18.4/rA:46P4P4OOO1O1CCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s1;s2;;s7;s3s7;s4s8;s1;s1;s2;s2;s11;s12;s13;s14;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;s16;s16;s16;s17;s17;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 9.083568 0.000000 1.674423 7.513463 0.000000 7.513461 1.674423 6.000034 0.000000 1.484928 10.044568 2.565423 8.559295 0.000000 10.044565 1.484928 8.559295 2.565423 11.121396 0.000000 3.931988 5.192324 2.322308 3.711097 4.859339 6.276521 0.000000 5.192329 3.931983 3.711104 2.322301 6.276527 4.859332 1.526541 0.000000 2.688188 6.448751 1.443245 4.845036 3.901063 7.360812 1.532836 2.524427 0.000000 6.448749 2.688190 4.845036 1.443246 7.360813 3.901065 2.524421 1.532830 3.887706 0.000000 1.881484 9.433761 2.844144 7.821950 2.868669 10.241375 4.611197 5.583684 3.251099 6.946774 0.000000 1.881487 9.431900 2.844015 7.820825 2.868666 10.240435 4.609367 5.582910 3.252369 6.945102 2.935587 0.000000 9.433243 1.881485 7.821332 2.844129 10.240903 2.868663 5.583434 4.610429 6.945952 3.251353 9.693003 10.124997 0.000000 9.432428 1.881485 7.821457 2.844032 10.240923 2.868671 5.583159 4.610134 6.945935 3.252120 10.125971 9.688203 2.935587 0.000000 2.763149 9.357914 3.223281 7.845061 3.317971 10.235672 4.724044 5.726224 3.707787 6.909461 1.517756 4.283313 9.321826 10.144863 0.000000 2.763220 9.350519 3.221318 7.839064 3.319499 10.229875 4.717513 5.721118 3.706891 6.902667 4.283105 1.517754 10.137159 9.311249 5.464768 0.000000 9.356343 2.763153 7.843313 3.222983 10.234171 3.318183 5.725207 4.722158 6.907358 3.707747 9.320791 10.142925 1.517756 4.283277 8.832622 10.379426 0.000000 9.352090 2.763217 7.840816 3.221615 10.231381 3.319289 5.722126 4.719392 6.904773 3.706931 10.139089 9.312274 4.283141 1.517755 10.382254 8.819379 5.464769 0.000000 4.125471 5.393654 2.518470 4.064228 4.849427 6.571602 1.109575 2.189131 2.164412 2.780987 5.193184 4.666228 5.858787 5.399565 5.405731 4.418339 6.260257 5.434667 0.000000 4.126619 5.393330 2.518046 4.063990 4.849335 6.571403 1.109587 2.189179 2.164364 2.779931 4.671925 5.192598 5.399510 5.858016 4.429252 5.399174 5.437836 6.256834 1.759739 0.000000 5.393464 4.126439 4.063696 2.518513 6.571179 4.849632 2.189173 1.109578 2.779912 2.164382 5.399937 5.858774 4.669912 5.193102 5.438352 6.256855 4.425899 5.401374 3.117172 2.573472 0.000000 5.393536 4.125633 4.064539 2.517983 6.571842 4.849106 2.189140 1.109583 2.781024 2.164382 5.858036 5.399147 5.192677 4.668232 6.260249 5.434170 5.403525 4.421676 2.572453 3.117189 1.759739 0.000000 2.950728 6.641302 2.101097 5.014863 4.253944 7.437044 2.194429 2.812599 1.105875 4.230658 3.635835 2.812019 7.410582 7.041667 4.439787 3.130569 7.460663 6.760303 2.529302 3.097384 3.164907 2.613173 0.000000 2.952590 6.640908 2.100772 5.014539 4.254044 7.436716 2.194457 2.812547 1.105901 4.229860 2.812855 3.642139 7.041158 7.410207 3.130400 4.443133 6.762320 7.458054 3.097449 2.529329 2.611928 3.166591 1.816491 0.000000 6.641336 2.951904 5.014649 2.100902 7.436923 4.253882 2.812850 2.194433 4.230057 1.105891 7.042961 7.409853 2.812311 3.640226 6.765483 7.456088 3.130649 4.441812 3.167030 2.612306 2.529078 3.097391 4.808695 4.451255 0.000000 6.640860 2.951428 5.014743 2.100974 7.436830 4.254121 2.812274 2.194438 4.230450 1.105885 7.410915 7.039842 3.637767 2.812573 7.462616 6.757127 4.441122 3.130318 2.612764 3.164442 3.097427 2.529535 4.453176 4.808343 1.816492 0.000000 2.475667 10.505735 3.792818 8.879750 3.150322 11.276253 5.681200 6.642899 4.275721 8.031742 1.108756 3.168548 10.793630 11.192113 2.168780 4.594690 10.396766 11.151077 6.205638 5.767204 6.448268 6.844579 4.513065 3.866569 8.149621 8.476351 0.000000 2.509477 8.931312 3.111101 7.288598 3.774613 9.612379 4.428543 5.134100 3.007122 6.581430 1.102529 3.041076 9.319813 9.738743 2.177549 4.436966 8.892130 9.689589 5.134687 4.645550 4.826255 5.300320 3.237263 2.354202 6.772865 7.129119 1.765071 0.000000 2.509471 8.931727 3.112368 7.289636 3.774554 9.613554 4.428859 5.135415 3.010118 6.582045 3.039680 1.102531 9.740587 9.317007 4.437025 2.177558 9.696293 8.885152 4.641683 5.136778 5.303307 4.827065 2.353611 3.246141 7.130468 6.772048 3.363525 2.734829 0.000000 2.475626 10.504770 3.792723 8.879604 3.149133 11.276394 5.680082 6.643050 4.277475 8.030814 3.170153 1.108763 11.192429 10.788914 4.595306 2.168763 11.156847 10.387895 5.761641 6.206122 6.846807 6.448106 3.865682 4.520585 8.476236 8.146726 3.002955 3.367912 1.765088 0.000000 10.505373 2.475662 8.879325 3.792808 11.275969 3.150139 6.642807 5.680623 8.031099 4.276034 10.793657 11.191326 1.108757 3.168787 10.397769 11.149418 2.168782 4.594786 6.845616 6.447829 5.765287 6.205466 8.476314 8.147871 3.865895 4.515205 11.895621 10.428284 10.814067 12.266188 0.000000 8.931142 2.509482 7.288307 3.111299 9.612230 3.774605 5.134165 4.428116 6.580963 3.007639 9.320242 9.738078 1.102530 3.040875 8.893602 9.687919 2.177548 4.436986 5.301693 4.825770 4.643635 5.134839 7.129296 6.771305 2.353399 3.239811 10.428717 9.064329 9.467036 10.812451 1.765073 0.000000 8.931917 2.509467 7.289949 3.112176 9.613729 3.774563 5.135358 4.429294 6.582531 3.009611 9.741261 9.316589 3.039879 1.102531 9.697979 8.883700 4.437004 2.177560 4.827549 5.301933 5.136630 4.643601 6.773639 7.130319 3.243612 2.354429 10.814579 9.467373 9.062854 10.425019 3.364171 2.734827 0.000000 10.505147 2.475631 8.880047 3.792735 11.276701 3.149312 6.643145 5.680660 8.031471 4.277169 11.193220 10.788890 3.169914 1.108762 11.158520 10.386906 4.595213 2.168760 6.448539 6.845768 6.206292 5.763551 8.148500 8.476298 4.518467 3.866368 12.266823 10.812956 10.425444 11.890888 3.002956 3.367267 1.765086 0.000000 2.992707 8.384033 2.834515 6.924065 3.633542 9.306876 3.910603 4.884271 3.162413 5.960712 2.195520 4.582444 8.263233 9.189712 1.099490 5.596164 7.783739 9.520673 4.665446 3.474647 4.590840 5.547669 4.078026 2.573970 5.735637 6.550228 3.107302 2.571922 4.657470 5.119260 9.330602 7.818776 8.730506 10.178928 0.000000 2.961906 10.055976 3.577040 8.592350 2.983328 11.025738 5.297932 6.459698 4.390172 7.543457 2.190250 4.655323 9.912450 10.729457 1.102861 5.712754 9.483117 11.012228 5.833601 4.890952 6.281501 7.041058 5.147195 4.007441 7.326692 8.007331 2.540900 3.108749 5.038263 4.869789 10.963462 9.385357 10.189457 11.724432 1.770370 0.000000 3.762348 9.805000 4.235468 8.311319 4.340720 10.583904 5.501010 6.319018 4.504280 7.502099 2.166842 5.094666 9.715332 10.752439 1.098683 6.386117 9.066203 11.030081 6.291468 5.182590 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10.225701 12.256379 10.720181 12.122487 1.781593 0.000000 10.253064 3.819954 8.675223 4.356569 11.149671 4.386384 6.589454 5.733517 7.775452 4.722425 10.086211 11.159864 2.187820 5.256205 9.563110 11.544461 1.104480 6.565605 7.128271 6.133069 5.398378 6.506872 8.399229 7.560780 3.997141 5.419213 11.149768 9.604758 10.672888 12.113496 2.536825 2.566303 5.316890 5.374270 8.515473 10.225707 9.749286 12.124435 10.718011 12.253934 1.791636 1.791808 0.000000 10.522550 2.992203 8.972865 3.701872 11.607386 2.959534 6.743106 5.552419 7.849245 4.599508 11.159870 10.339852 4.730699 2.188580 11.546218 10.048522 5.785721 1.103808 6.565682 7.299560 6.070339 5.164669 7.615976 8.266521 5.341797 4.268507 12.109951 10.525601 9.698216 11.372235 4.878090 5.140503 3.118683 2.551375 10.722264 12.256969 12.125036 10.835687 9.066560 10.217428 5.987433 5.721134 6.761407 0.000000 8.844514 3.056697 7.310548 2.943383 9.891253 3.680337 5.184352 4.160862 6.258616 3.389289 9.611579 8.648560 4.732091 2.198824 10.059404 8.302672 5.780852 1.104381 4.897171 5.842539 4.885330 3.703169 5.994514 6.800053 4.300983 2.864068 10.550974 9.045528 8.070381 9.697616 5.193985 4.821470 2.564818 3.118107 9.274610 10.720848 10.718684 9.066539 7.303460 8.507751 5.711124 5.987237 6.755777 1.781596 0.000000 10.249113 3.819983 8.671763 4.356390 11.144689 4.386585 6.587652 5.732952 7.773698 4.722405 11.158009 10.081163 5.256204 2.187816 11.543963 9.555641 6.565590 1.104481 6.130290 7.126514 6.507078 5.397640 7.558923 8.398873 5.419560 3.997117 12.111105 10.671775 9.600967 11.144686 5.374261 5.316919 2.566245 2.536871 10.718296 12.123087 12.254532 10.217420 8.507808 9.741080 6.755821 6.761284 7.429513 1.791800 1.791633 0.000000 0.6273600 0.0895197 0.0825639 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= 240 240 240 240 240 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 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= 14878 NPrTT= 71336 LenC2= 11791 LenP2D= 34617. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 252 RedAO= T EigKep= 2.73D-03 NBF= 252 NBsUse= 252 1.00D-06 EigRej= -1.00D+00 NBFU= 252 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= 238 238 238 238 238 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -1455.36161607719 -1455.08564259195 0.275973485240 -1455.85237477157 -0.766732179623 -1455.93184207677 -0.079467305200 -1456.18321123666 -0.251369159890 -1456.22385232307 -0.040641086403 -1456.22760994133 -0.003757618260 -1456.22772988913 -0.000119947804 -1456.22773297057 -0.000003081441 -1456.22775487667 -0.000021906099 -1456.22775554252 -0.000000665851 -1456.22775519008 0.000000352440 -1456.22775575332 -0.000000563242 -1456.22775576306 -0.000000009733 -1456.22775576320 -0.000000000149 -1456.22775576329 -0.000000000089 -1456.22775576330 -0.000000000004 -1456.22775576 17 1.451656068755e+03 -6.792064238394e+03 2.202162618820e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 212178 IEndB= 212178 NGot= 402653184 MDV= 402521403 LenX= 402521403 LenY= 402457458 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. -3.11663065e-06 -4.07309205e-03 2.17273787e-07 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 15 15 8 8 8 8 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 1 1 1 1 1 -0.017690821 -0.000137431 -0.113029637 0.017690159 -0.000187063 0.113029229 -0.016926488 0.000004259 0.009652520 0.016926242 0.000038321 -0.009651497 0.071308985 0.000111599 0.097759162 -0.071308408 0.000101965 -0.097758832 0.000986300 0.000012078 -0.002847079 -0.000984013 -0.000008674 0.002845979 -0.016819268 0.000011284 0.010946111 0.016817793 0.000029858 -0.010945366 0.003160238 0.002719319 0.000028689 0.003169421 -0.002721710 0.000037590 -0.003165676 0.002718103 -0.000026960 -0.003163646 -0.002723269 -0.000039239 0.000315948 0.018201150 0.003441627 0.000264040 -0.018193169 0.003474997 -0.000322129 0.018203438 -0.003428985 -0.000257423 -0.018190633 -0.003486850 0.001230493 -0.000455490 -0.003314946 0.001232931 0.000469948 -0.003328027 -0.001231182 0.000462007 0.003322043 -0.001231377 -0.000463505 0.003320333 -0.002173282 -0.000592655 -0.003673557 -0.002195626 0.000576431 -0.003669440 0.002186152 0.000580242 0.003670485 0.002181205 -0.000588849 0.003672540 -0.000834115 -0.003807734 0.003535360 -0.002990812 -0.003603995 0.000496610 -0.002983663 0.003610911 0.000487306 -0.000841779 0.003816838 0.003524221 0.000838912 -0.003805288 -0.003537342 0.002990183 -0.003601666 -0.000497764 0.002984040 0.003613292 -0.000486567 0.000836943 0.003819330 -0.003522122 -0.003593769 -0.002062984 0.001155130 0.000862436 -0.003012345 0.001136654 0.000414681 0.004010134 -0.003112827 0.000869578 0.003006078 0.001140085 -0.003582643 0.002067492 0.001141334 0.000413307 -0.004017822 -0.003103870 0.003593320 -0.002062109 -0.001155611 -0.000861177 -0.003011456 -0.001140596 -0.000418384 0.004008155 0.003114993 -0.000871264 0.003006997 -0.001136712 0.003583252 0.002068342 -0.001140950 -0.000409614 -0.004019726 0.003101775 0.113029637 0.020682720 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1456.27313878174 -1456.27315091444 -0.000012132704 -1456.27314481658 0.000006097863 -1456.27315318331 -0.000008366727 -1456.27315341546 -0.000000232155 -1456.27315342146 -0.000000005992 -1456.27315342187 -0.000000000412 -1456.27315342192 -0.000000000051 -1456.27315342 8 1.450205330801e+03 -6.689505703150e+03 2.152030510910e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 212178 IEndB= 212178 NGot= 402653184 MDV= 402521403 LenX= 402521403 LenY= 402457458 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 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 -76.450179 -76.450179 -18.773229 -18.773227 -18.717189 -18.717189 -9.961755 -9.961744 -9.925707 -9.925706 -9.925703 -9.925702 -9.909372 -9.909288 -9.900034 -9.900033 -9.900027 -9.900027 -6.423660 -6.423659 -4.641262 -4.641260 -4.639214 -4.639213 -4.637876 -4.637876 -0.929134 -0.928717 -0.855643 -0.855440 -0.735796 -0.721283 -0.718142 -0.705761 -0.705761 -0.662881 -0.609367 -0.605071 -0.578264 -0.568333 -0.568332 -0.540183 -0.506518 -0.505775 -0.454147 -0.443493 -0.436165 -0.432154 -0.421260 -0.419654 -0.417481 -0.415135 -0.413364 -0.401092 -0.386816 -0.374950 -0.373707 -0.355569 -0.350306 -0.347809 -0.343773 -0.343136 -0.342699 -0.331763 -0.329445 -0.321661 -0.320552 -0.320467 -0.315945 -0.313544 -0.306947 -0.301355 -0.300939 -0.273731 -0.272194 -0.235915 -0.234424 -0.220004 -0.216125 -0.205925 -0.205924 -0.018362 -0.009681 0.023449 0.023968 0.042490 0.043063 0.052466 0.052767 0.054651 0.055648 0.062082 0.075542 0.092374 0.102045 0.106714 0.109006 0.112704 0.115871 0.117206 0.125542 0.129539 0.135523 0.138316 0.145421 0.145986 0.151721 0.154239 0.154971 0.160874 0.160981 0.170553 0.174319 0.175504 0.178433 0.179447 0.180322 0.186197 0.198227 0.199232 0.202386 0.204823 0.208586 0.215699 0.227253 0.228147 0.230309 0.233477 0.254861 0.255218 0.257049 0.267656 0.271513 0.272139 0.274502 0.275759 0.276703 0.284385 0.290758 0.291158 0.293730 0.313046 0.339735 0.342431 0.344294 0.344705 0.348656 0.372904 0.374050 0.376516 0.378761 0.416194 0.418885 0.423975 0.457640 0.470619 0.475348 0.482561 0.484917 0.501969 0.504946 0.522337 0.523113 0.544867 0.548065 0.563973 0.661372 0.670351 0.671138 0.683771 0.712520 0.729505 0.757088 0.758582 0.759601 0.770279 0.785918 0.832909 0.852062 0.855740 0.864042 0.868180 0.912189 0.912617 0.923874 0.923875 0.924584 0.932993 0.947654 0.956235 0.973310 0.980672 0.986185 1.006866 1.006929 1.022084 1.037456 1.044845 1.048626 1.076233 1.077036 1.079637 1.083906 1.085405 1.088473 1.088570 1.089911 1.098955 1.110475 1.131628 1.147571 1.153218 1.159159 1.166107 1.184573 1.205951 1.246113 1.249331 1.269127 1.318051 1.323484 1.404625 1.540637 1.548937 1.669801 1.675370 4.721715 4.729975 4.781081 4.786421 4.822799 4.825522 6.324374 6.331685 22.454355 22.509705 22.510777 22.546981 22.547034 22.549269 22.617234 22.622518 22.623992 22.626969 22.632167 22.656185 41.487289 41.492684 41.542908 41.545165 166.701978 166.706574 106.132280 106.132288 29.118245 29.118420 29.119606 29.119610 15.959089 15.960310 15.955917 15.955975 15.956312 15.956271 15.957901 15.956726 15.957254 15.957248 15.957937 15.957953 15.603122 15.603132 14.668313 14.668421 14.667363 14.667383 14.672376 14.672402 2.509209 2.519065 2.724232 2.732525 1.501611 1.525581 1.502473 1.364515 1.364476 1.693305 1.597482 1.512085 1.641388 1.375637 1.375685 1.249662 1.914242 1.721279 0.897731 1.418961 1.327853 1.034536 1.095542 1.013653 1.411441 1.147579 0.927831 1.039233 1.226610 1.154399 1.154790 1.604246 1.201682 1.383902 1.416745 1.202128 1.193129 1.235273 1.177818 1.178774 1.054297 1.063394 1.406785 1.397986 2.086265 2.157132 1.100966 2.156237 2.112593 2.143901 2.115419 2.187131 2.202016 2.098998 2.099381 2.811550 2.780299 2.125192 2.149370 1.567336 1.417942 1.308032 1.572243 1.643195 1.664248 1.205583 1.490635 1.397440 1.083159 1.638131 1.292808 1.207356 1.123605 1.145876 1.314959 1.300141 1.322425 1.102181 1.206851 1.172382 1.092890 1.147020 1.104068 1.025149 1.001757 1.065728 1.121864 1.392820 1.081583 1.330261 1.319857 1.097159 1.321522 1.374510 1.305685 1.554161 1.407809 1.459033 1.572117 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6PZ 17 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 18 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 19 H 1S 2S 20 H 1S 2S 21 H 1S 2S 22 H 1S 2S 23 H 1S 2S 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 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 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 1 P 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2 P 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|3 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|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 0.74227 1.22726 0.95475 1.02645 1.01281 0.40451 1.82692 1.83212 1.83156 0.16627 0.16467 0.16458 0.52145 0.59860 0.58686 0.21624 0.34216 0.18374 0.74227 1.22726 0.95475 1.02645 1.01281 0.40451 1.82692 1.83212 1.83156 0.16627 0.16467 0.16458 0.52145 0.59860 0.58686 0.21624 0.34216 0.18374 1.13246 0.85936 0.93537 0.97564 0.95912 1.31611 1.11417 0.28131 0.51643 0.42433 1.13246 0.85936 0.93537 0.97564 0.95912 1.31611 1.11417 0.28131 0.51643 0.42433 1.13272 0.85907 0.96277 1.02022 1.06524 1.22105 1.02493 0.44119 0.52236 0.39824 1.13272 0.85907 0.96277 1.02022 1.06524 1.22105 1.02493 0.44119 0.52236 0.39824 1.17428 0.81423 0.72477 0.61511 0.84425 0.93653 0.88481 0.04600 0.20793 0.12790 1.17428 0.81423 0.72477 0.61511 0.84425 0.93653 0.88481 0.04600 0.20793 0.12790 1.17444 0.81417 0.74438 0.61984 0.78165 0.95413 0.83722 0.03507 0.18791 0.11896 1.17444 0.81417 0.74438 0.61984 0.78165 0.95413 0.83722 0.03507 0.18791 0.11896 1.17425 0.81427 0.70977 0.75537 0.93079 0.85832 0.89515 0.24323 0.11765 0.17161 1.17425 0.81427 0.70978 0.75536 0.93079 0.85837 0.89510 0.24324 0.11759 0.17165 1.17425 0.81427 0.70977 0.75536 0.93078 0.85835 0.89512 0.24327 0.11758 0.17163 1.17425 0.81427 0.70977 0.75536 0.93079 0.85834 0.89512 0.24320 0.11765 0.17163 1.17423 0.81440 0.72304 0.68937 0.93735 0.85807 0.91328 0.21726 0.12978 0.18315 1.17423 0.81440 0.72304 0.68937 0.93734 0.85795 0.91341 0.21725 0.12964 0.18331 1.17423 0.81440 0.72304 0.68937 0.93737 0.85799 0.91334 0.21728 0.12969 0.18322 1.17423 0.81440 0.72304 0.68937 0.93732 0.85803 0.91334 0.21723 0.12973 0.18323 0.51103 0.27566 0.51104 0.27567 0.51104 0.27567 0.51103 0.27566 0.51599 0.28883 0.51599 0.28880 0.51599 0.28881 0.51599 0.28883 0.50531 0.23118 0.50751 0.26212 0.50751 0.26214 0.50531 0.23116 0.50531 0.23117 0.50751 0.26213 0.50751 0.26214 0.50531 0.23117 0.50875 0.25811 0.50589 0.23648 0.50930 0.26908 0.50589 0.23649 0.50875 0.25810 0.50930 0.26908 0.50875 0.25810 0.50589 0.23648 0.50930 0.26908 0.50589 0.23649 0.50875 0.25810 0.50930 0.26908 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 P P O O O O 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 H H H H H 1.196778 1.196778 -0.514303 -0.514303 -0.647794 -0.647794 -0.375804 -0.375804 -0.267772 -0.267771 -0.670398 -0.670391 -0.670398 -0.670391 -0.639929 -0.639927 -0.639930 -0.639926 0.213311 0.213293 0.213292 0.213312 0.195180 0.195213 0.195209 0.195184 0.263517 0.230369 0.230348 0.263530 0.263522 0.230363 0.230354 0.263525 0.233143 0.257627 0.221621 0.257612 0.233154 0.221623 0.233145 0.257625 0.221621 0.257615 0.233152 0.221623 0.00000 2.27198175e-07 2.51184293e-03 5.19966911e-07 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.0000 0.0064 0.0000 0.0064 -160.8657 -116.0034 -138.1021 -0.0050 -54.1078 -0.0233 -22.5420 22.3203 0.2216 -0.0050 -54.1078 -0.0233 -0.0056 3.7738 0.0064 -0.0010 1.9713 0.0012 0.0001 1.5141 0.0024 0.6625 -15742.5279 -1955.2767 -617.0502 -4.3904 -1478.6015 -3.1303 -0.2196 -15.4224 -0.2451 -2415.3012 -2750.0381 -424.1416 -0.7516 16.0771 -1.3468 0 -1456.2731534 9.12E-9 3.155E-5 -16.759399,16.5946296,0.1647694,-0.0037188,-40.2278067,-0.0173326 C01 [X(C12H28O4P2)] 0.0000002 0.0025118 0.0000005 @ 0.000118039 -0.000003707 0.000138886 -0.000118048 -0.000003492 -0.000138906 -0.000019426 0.000011488 -0.000002777 0.000019402 0.000010579 0.000002775 -0.000065508 0.000000847 -0.000134425 0.000065518 0.000001569 0.000134421 0.000013708 0.000005390 0.000014674 -0.000013733 0.000004977 -0.000014656 -0.000052199 -0.000015035 -0.000009011 0.000052214 -0.000014062 0.000009015 -0.000011927 0.000039576 -0.000009738 -0.000011668 -0.000034265 -0.000006298 0.000011619 0.000039328 0.000010207 0.000011994 -0.000034500 0.000005858 -0.000018211 0.000036139 0.000010560 -0.000016282 -0.000035390 0.000009660 0.000017991 0.000036283 -0.000010480 0.000016494 -0.000035277 -0.000009731 -0.000001790 0.000004886 -0.000004824 -0.000007855 -0.000004903 0.000000627 0.000007765 -0.000004860 -0.000000545 0.000001871 0.000004924 0.000004742 0.000011042 -0.000001360 -0.000009147 0.000014951 0.000000780 -0.000004027 -0.000014935 0.000000873 0.000003543 -0.000011015 -0.000001276 0.000009626 0.000009188 -0.000004709 0.000013111 -0.000002575 -0.000014005 0.000011188 -0.000002168 0.000007081 0.000005221 0.000008001 0.000003743 0.000013445 -0.000009019 -0.000004589 -0.000012775 0.000002637 -0.000013971 -0.000011157 0.000002089 0.000007066 -0.000005269 -0.000008162 0.000003868 -0.000013793 0.000011451 -0.000006420 -0.000001656 -0.000000479 -0.000005146 -0.000002083 0.000005883 -0.000016036 -0.000004919 -0.000000596 0.000007488 -0.000002554 0.000010904 0.000006772 -0.000001733 0.000006140 0.000016254 -0.000004828 -0.000011295 -0.000006277 0.000001707 0.000000644 -0.000005208 0.000001984 -0.000005844 -0.000016015 0.000004875 0.000000419 0.000007417 0.000002659 -0.000011050 0.000006904 0.000001685 -0.000006181 0.000016270 0.000004862 270.07352199999985 AuxInfo=1/0/N:15,16,17,18,11,12,13,14,7,8,9,10,5,6,3,4,1,2/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/CRV:13.1,14.1,17.4,18.4/rA:46P4P4OOO1O1CCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s1;s2;;s7;s3s7;s4s8;s1;s1;s2;s2;s11;s12;s13;s14;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;s16;s16;s16;s17;s17;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2072 CBGUSER 000255787 EM64L-G09RevD.01 13-Feb-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 132 C1[X(C12H28O4P2)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 270.07352199999985 0 1 AuxInfo=1/0/N:15,16,17,18,11,12,13,14,7,8,9,10,5,6,3,4,1,2/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/CRV:13.1,14.1,17.4,18.4/rA:46P4P4OOO1O1CCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s1;s2;;s7;s3s7;s4s8;s1;s1;s2;s2;s11;s12;s13;s14;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;s16;s16;s16;s17;s17;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-3580.inp" -scrdir="/scratch/" chk=000255787-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 000255787 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 31 31 16 16 16 16 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 1 1 1 1 1 30.9737634 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1 1 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 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| 0.000150 0.000034 0.007169 0.002054 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.480297e-07 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1630.9967452895 252 568 252 81 81 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 0 270.07352199999985 AuxInfo=1/0/N:15,16,17,18,11,12,13,14,7,8,9,10,5,6,3,4,1,2/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/CRV:13.1,14.1,17.4,18.4/rA:46P4P4OOO1O1CCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s1;s2;;s7;s3s7;s4s8;s1;s1;s2;s2;s11;s12;s13;s14;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;s16;s16;s16;s17;s17;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 9.443918 0.000000 1.774607 7.782659 0.000000 7.782660 1.774606 6.184695 0.000000 1.599129 10.509724 2.759888 8.940133 0.000000 10.509724 1.599128 8.940132 2.759887 11.697668 0.000000 4.113718 5.372797 2.410748 3.809113 5.144373 6.568788 0.000000 5.372797 4.113718 3.809112 2.410750 6.568788 5.144373 1.546495 0.000000 2.830813 6.651492 1.473954 4.961324 4.135702 7.679567 1.532920 2.551082 0.000000 6.651491 2.830813 4.961322 1.473954 7.679566 4.135701 2.551082 1.532920 3.914598 0.000000 1.888823 9.760541 2.897505 8.060256 2.932356 10.680212 4.747910 5.734520 3.387129 7.100731 0.000000 1.888817 9.758823 2.897370 8.058717 2.932379 10.678082 4.747550 5.733717 3.387212 7.099882 3.074380 0.000000 9.760476 1.888821 8.060190 2.897468 10.680153 2.932349 5.734484 4.747821 7.100645 3.387123 9.951239 10.413895 0.000000 9.758887 1.888820 8.058780 2.897408 10.678139 2.932385 5.733753 4.747641 7.099969 3.387218 10.414016 9.948376 3.074379 0.000000 2.831261 9.798939 3.352440 8.204909 3.367797 10.794810 4.964172 5.997923 3.933075 7.184301 1.541850 4.439649 9.693681 10.548514 0.000000 2.831280 9.795269 3.351988 8.201607 3.368068 10.790398 4.963105 5.996020 3.932814 7.182263 4.439651 1.541853 10.546837 9.688816 5.637946 0.000000 9.798641 2.831252 8.204612 3.352286 10.794522 3.367845 5.997691 4.963860 7.183973 3.932926 9.693447 10.548175 1.541851 4.439640 9.332089 10.899779 0.000000 9.795576 2.831290 8.201910 3.352147 10.790693 3.368017 5.996260 4.963426 7.182600 3.932969 10.547185 9.689058 4.439660 1.541854 10.900328 9.325323 5.637947 0.000000 4.315046 5.551848 2.609413 4.143349 5.145515 6.840090 1.106807 2.196747 2.154346 2.806432 5.329666 4.789504 6.011636 5.537679 5.629190 4.654016 6.526953 5.706222 0.000000 4.315768 5.552402 2.610081 4.143867 5.146370 6.840850 1.106804 2.196813 2.154328 2.806378 4.790420 5.329960 5.539029 6.011097 4.655655 5.628894 5.708596 6.525730 1.776999 0.000000 5.552397 4.315775 4.143833 2.610133 6.840816 5.146416 2.196811 1.106804 2.806366 2.154342 5.539058 6.011132 4.790245 5.330048 5.708772 6.525570 4.655237 5.629245 3.116098 2.559902 0.000000 5.551855 4.315040 4.143381 2.609363 6.840126 5.145470 2.196750 1.106807 2.806444 2.154332 6.011602 5.537650 5.329580 4.789682 6.527106 5.706039 5.628846 4.654445 2.559611 3.116101 1.776997 0.000000 3.089355 6.817586 2.137057 5.098072 4.493632 7.723428 2.183701 2.804138 1.111952 4.226328 3.787600 2.967512 7.540148 7.162850 4.663933 3.404399 7.697551 7.005510 2.513249 3.085196 3.158145 2.602439 0.000000 3.089665 6.818638 2.137118 5.099183 4.493718 7.724878 2.183734 2.804824 1.111950 4.226722 2.967744 3.788364 7.163958 7.540481 3.404605 4.664261 7.007304 7.697629 3.085215 2.512767 2.603119 3.159366 1.802636 0.000000 6.818679 3.089612 5.099203 2.137126 7.724899 4.493707 2.804861 2.183741 4.226750 1.111953 7.164135 7.540437 2.967681 3.788226 7.007732 7.697310 3.404476 4.664280 3.159402 2.603173 2.512768 3.085210 4.782893 4.430228 0.000000 6.817543 3.089407 5.098049 2.137050 7.723405 4.493641 2.804099 2.183694 4.226300 1.111950 7.540189 7.162670 3.787739 2.967576 7.697861 7.005071 4.663920 3.404534 2.602384 3.158109 3.085201 2.513248 4.430093 4.782841 1.802637 0.000000 2.442353 10.802970 3.833784 9.082890 3.184271 11.677303 5.795588 6.758118 4.378196 8.158312 1.105920 3.242099 11.036472 11.448130 2.196001 4.675092 10.754328 11.516349 6.322583 5.883391 6.553236 6.950324 4.618069 3.985668 8.257010 8.579612 0.000000 2.477736 9.158061 3.066912 7.425023 3.832772 9.957342 4.448977 5.177639 3.042865 6.618760 1.105767 3.193173 9.457900 9.920022 2.207702 4.618355 9.138332 9.996425 5.159375 4.629944 4.862206 5.368921 3.314154 2.392948 6.771874 7.149326 1.785833 0.000000 2.477661 9.156530 3.066885 7.423629 3.832741 9.955365 4.448791 5.176974 3.043075 6.618100 3.192929 1.105764 9.919713 9.455685 4.618267 2.207698 9.996868 9.134937 4.629466 5.159637 5.368325 4.861124 2.392709 3.315111 7.149418 6.771001 3.464867 2.918591 0.000000 2.442369 10.801558 3.833712 9.081675 3.184165 11.675532 5.795373 6.757572 4.378373 8.157681 3.242295 1.105920 11.448368 11.033747 4.675134 2.196023 11.517836 10.750016 5.882505 6.323051 6.950208 6.552071 3.985431 4.619031 8.580055 8.255669 3.021352 3.465444 1.785841 0.000000 10.802955 2.442354 9.082879 3.833764 11.677304 3.184213 6.758134 5.795543 8.158274 4.378232 11.036495 11.448061 1.105920 3.242166 10.754577 11.516070 2.196005 4.675113 6.950433 6.553239 5.883234 6.322556 8.579630 8.256857 3.985624 4.618284 12.125345 10.558265 10.966619 12.494805 0.000000 9.158079 2.477723 7.425033 3.066928 9.957358 3.832760 5.177677 4.448964 6.618757 3.042918 9.458005 9.919972 1.105767 3.193100 9.138675 9.996134 2.207707 4.618344 5.369037 4.862228 4.629839 5.159381 7.149373 6.771781 2.392919 3.314352 10.558357 9.071948 9.529049 10.967121 1.785836 0.000000 9.156505 2.477674 7.423610 3.066866 9.955339 3.832751 5.176930 4.448800 6.618098 3.043018 9.919756 9.455572 3.193001 1.105765 9.997144 9.134578 4.618279 2.207694 4.861095 5.368203 5.159627 4.629567 6.771090 7.149367 3.314910 2.392735 10.966616 9.529014 9.070188 10.556010 3.465065 2.918591 0.000000 10.801571 2.442367 9.081680 3.833732 11.675526 3.184224 6.757554 5.795419 8.157719 4.378335 11.448435 11.033723 3.242223 1.105920 11.518103 10.749757 4.675109 2.196019 6.552064 6.950095 6.323079 5.882665 8.255824 8.580038 4.618813 3.985474 12.494829 10.967123 10.556109 12.122699 3.021347 3.465243 1.785839 0.000000 3.056763 8.848356 2.943823 7.314038 3.680177 9.895878 4.161858 5.186399 3.389536 6.260671 2.198829 4.732228 8.653519 9.613429 1.104382 5.780956 8.309729 10.060051 4.885552 3.704524 4.900117 5.844338 4.300885 2.864048 5.997019 6.800560 3.118099 2.564802 4.821592 5.194138 9.702489 8.074393 9.046681 10.553246 0.000000 2.992044 10.525742 3.702068 8.975651 2.959147 11.611284 5.553072 6.744593 4.599547 7.850826 2.188560 4.730507 10.344699 11.160765 1.103808 5.785583 10.055755 11.545498 6.070058 5.166007 6.568151 7.300576 5.341440 4.268497 7.618434 8.266397 2.551383 3.118676 5.140268 4.877881 11.377006 9.702247 10.525912 12.111320 1.781594 0.000000 3.819960 10.253414 4.356713 8.675567 4.386343 11.150013 5.733853 6.589709 4.722569 7.775829 2.187818 5.256207 10.086505 11.160244 1.104480 6.565599 9.563183 11.545037 6.507227 5.398860 6.133280 7.128413 5.419197 3.997277 7.561284 8.399579 2.536808 2.566300 5.316854 5.374303 11.150063 9.605168 10.673209 12.113808 1.791632 1.791807 0.000000 2.992203 10.522201 3.701693 8.972531 2.959599 11.607055 5.552078 6.742843 4.599342 7.848874 4.730735 2.188576 11.159484 10.339541 5.785734 1.103808 11.545645 10.048451 5.164231 6.069943 7.299366 6.565491 4.268378 5.341759 8.266158 7.615504 4.878158 5.140553 3.118684 2.551365 12.109634 10.525265 9.697790 11.371896 5.987446 5.721137 6.761427 0.000000 3.056661 8.844121 2.943167 7.310147 3.680399 9.890870 4.160427 5.184011 3.389044 6.258177 4.732015 2.198821 9.611142 8.648262 5.780814 1.104381 10.058755 8.302632 3.702643 4.884848 5.842260 4.896923 2.863904 4.300842 6.799614 5.993998 5.193905 4.821373 2.564829 3.118108 10.550618 9.045146 8.069973 9.697305 5.711118 5.987221 6.755724 1.781594 0.000000 3.819977 10.248752 4.356240 8.671411 4.386629 11.144340 5.732606 6.587388 4.722254 7.773311 5.256203 2.187818 11.157618 10.080857 6.565595 1.104480 11.543386 9.555566 5.397147 6.506714 7.126364 6.130070 3.996973 5.419570 8.398513 7.558407 5.374236 5.316955 2.566247 2.536889 12.110780 10.671438 9.600539 11.144379 6.755868 6.761268 7.429513 1.791801 1.791636 0.000000 8.847976 3.056730 7.313647 2.943615 9.895504 3.680237 5.186069 4.161436 6.260245 3.389300 8.653231 9.613003 2.198826 4.732156 8.309690 10.059406 1.104382 5.780924 5.844070 4.899880 3.704010 4.885080 6.800134 5.996516 2.863893 4.300753 9.702190 8.074002 9.046316 10.552905 3.118100 2.564812 4.821499 5.194057 7.310846 9.074085 8.515529 10.721601 9.273852 10.717627 0.000000 10.525404 2.992044 8.975324 3.701894 11.610961 2.959209 6.744338 5.552740 7.850466 4.599387 10.344401 11.160390 2.188556 4.730541 10.055687 11.544927 1.103807 5.785595 7.300390 6.567967 5.165580 6.069670 8.266045 7.617976 4.268374 5.341407 11.376681 9.701840 10.525592 12.111019 2.551373 3.118677 5.140317 4.877942 9.074065 10.843307 10.225700 12.256379 10.720181 12.122487 1.781592 0.000000 10.253064 3.819955 8.675223 4.356569 11.149671 4.386384 6.589454 5.733517 7.775452 4.722425 10.086210 11.159864 2.187820 5.256205 9.563110 11.544461 1.104481 6.565606 7.128271 6.133069 5.398378 6.506872 8.399229 7.560780 3.997141 5.419213 11.149768 9.604758 10.672888 12.113496 2.536825 2.566303 5.316890 5.374270 8.515474 10.225706 9.749286 12.124435 10.718011 12.253934 1.791636 1.791808 0.000000 10.522550 2.992202 8.972864 3.701871 11.607386 2.959534 6.743106 5.552419 7.849245 4.599507 11.159869 10.339851 4.730699 2.188579 11.546217 10.048523 5.785721 1.103808 6.565682 7.299559 6.070339 5.164670 7.615976 8.266521 5.341797 4.268507 12.109950 10.525601 9.698216 11.372235 4.878090 5.140502 3.118683 2.551374 10.722264 12.256969 12.125035 10.835687 9.066560 10.217428 5.987432 5.721134 6.761407 0.000000 8.844514 3.056696 7.310549 2.943383 9.891253 3.680337 5.184353 4.160861 6.258616 3.389289 9.611579 8.648560 4.732091 2.198824 10.059404 8.302673 5.780852 1.104381 4.897171 5.842539 4.885330 3.703170 5.994515 6.800053 4.300983 2.864068 10.550974 9.045529 8.070382 9.697616 5.193985 4.821470 2.564818 3.118107 9.274611 10.720849 10.718684 9.066539 7.303461 8.507752 5.711124 5.987237 6.755777 1.781596 0.000000 10.249112 3.819983 8.671763 4.356390 11.144689 4.386586 6.587652 5.732952 7.773698 4.722405 11.158008 10.081162 5.256204 2.187816 11.543962 9.555641 6.565590 1.104481 6.130289 7.126513 6.507078 5.397640 7.558923 8.398873 5.419560 3.997116 12.111105 10.671775 9.600966 11.144685 5.374262 5.316919 2.566245 2.536871 10.718296 12.123087 12.254531 10.217419 8.507808 9.741080 6.755821 6.761285 7.429513 1.791800 1.791632 0.000000 C12H28O4P2 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 0 270.07352199999985 AuxInfo=1/0/N:15,16,17,18,11,12,13,14,7,8,9,10,5,6,3,4,1,2/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/CRV:13.1,14.1,17.4,18.4/rA:46P4P4OOO1O1CCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s1;s2;;s7;s3s7;s4s8;s1;s1;s2;s2;s11;s12;s13;s14;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;s16;s16;s16;s17;s17;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.6273600 0.0895198 0.0825639 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= 14878 NPrTT= 71336 LenC2= 11791 LenP2D= 34617. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 252 RedAO= T EigKep= 2.73D-03 NBF= 252 NBsUse= 252 1.00D-06 EigRej= -1.00D+00 NBFU= 252 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= 238 238 238 238 238 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -1455.39763697516 -1454.72624835818 0.671388616971 -1455.72606682974 -0.999818471556 -1455.93788552365 -0.211818693908 -1456.21360246103 -0.275716937377 -1456.26604952874 -0.052447067717 -1456.27295738932 -0.006907860575 -1456.27304289834 -0.000085509025 -1456.27304642552 -0.000003527180 -1456.27315438956 -0.000107964033 -1456.27314888277 0.000005506784 -1456.27315564888 -0.000006766111 -1456.27315565955 -0.000000010665 -1456.27315567792 -0.000000018373 -1456.27315567901 -0.000000001088 -1456.27315567903 -0.000000000019 -1456.27315567909 -0.000000000057 -1456.27315568 17 1.450205336911e+03 -6.689505820720e+03 2.152030582841e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 212602 IEndB= 212602 NGot= 402653184 MDV= 402520979 LenX= 402520979 LenY= 402457034 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= 402652468 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= 1.39D-14 1.00D-09 XBig12= 2.36D+02 6.81D+00. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 1.39D-14 1.00D-09 XBig12= 6.06D+01 1.47D+00. 138 vectors produced by pass 2 Test12= 1.39D-14 1.00D-09 XBig12= 1.14D-01 5.01D-02. 138 vectors produced by pass 3 Test12= 1.39D-14 1.00D-09 XBig12= 3.16D-05 5.65D-04. 64 vectors produced by pass 4 Test12= 1.39D-14 1.00D-09 XBig12= 2.14D-09 4.89D-06. 6 vectors produced by pass 5 Test12= 1.39D-14 1.00D-09 XBig12= 1.13D-13 4.56D-08. 1 vectors produced by pass 6 Test12= 1.39D-14 1.00D-09 XBig12= 1.22D-16 1.04D-09. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 623 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 196.59 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 231.016 0.002 198.073 -5.167 0.001 160.691 343.063 0.000 293.168 -38.141 0.003 319.737 (Enter /mnt/data/applications/G09/g09/l716.exe) PT3911S 2018-02-13T00:33:13.000+01:00 -76.45018 -76.45018 -18.77323 -18.77323 -18.71719 -18.71719 -9.96175 -9.96174 -9.92571 -9.92571 -9.92570 -9.92570 -9.90937 -9.90929 -9.90003 -9.90003 -9.90003 -9.90003 -6.42366 -6.42366 -4.64126 -4.64126 -4.63921 -4.63921 -4.63788 -4.63787 -0.92913 -0.92872 -0.85564 -0.85544 -0.73580 -0.72128 -0.71814 -0.70576 -0.70576 -0.66288 -0.60937 -0.60507 -0.57826 -0.56833 -0.56833 -0.54018 -0.50652 -0.50577 -0.45415 -0.44349 -0.43616 -0.43215 -0.42126 -0.41965 -0.41748 -0.41514 -0.41336 -0.40109 -0.38682 -0.37495 -0.37371 -0.35557 -0.35031 -0.34781 -0.34377 -0.34314 -0.34270 -0.33176 -0.32945 -0.32166 -0.32055 -0.32047 -0.31594 -0.31354 -0.30695 -0.30135 -0.30094 -0.27373 -0.27219 -0.23592 -0.23442 -0.22000 -0.21612 -0.20592 -0.20592 -0.01836 -0.00968 0.02345 0.02397 0.04249 0.04306 0.05246 0.05277 0.05465 0.05565 0.06208 0.07554 0.09237 0.10204 0.10671 0.10901 0.11270 0.11587 0.11721 0.12554 0.12954 0.13552 0.13832 0.14542 0.14598 0.15172 0.15424 0.15497 0.16087 0.16098 0.17055 0.17432 0.17550 0.17843 0.17945 0.18032 0.18620 0.19823 0.19923 0.20239 0.20482 0.20859 0.21570 0.22725 0.22815 0.23031 0.23348 0.25486 0.25522 0.25705 0.26766 0.27151 0.27214 0.27450 0.27576 0.27670 0.28438 0.29076 0.29116 0.29373 0.31305 0.33973 0.34243 0.34429 0.34470 0.34865 0.37290 0.37405 0.37652 0.37876 0.41619 0.41888 0.42398 0.45764 0.47062 0.47535 0.48256 0.48492 0.50197 0.50495 0.52234 0.52312 0.54487 0.54807 0.56398 0.66138 0.67036 0.67114 0.68377 0.71252 0.72951 0.75709 0.75858 0.75960 0.77028 0.78592 0.83291 0.85206 0.85574 0.86404 0.86818 0.91219 0.91262 0.92387 0.92387 0.92458 0.93299 0.94766 0.95623 0.97331 0.98067 0.98619 1.00687 1.00693 1.02208 1.03746 1.04484 1.04863 1.07623 1.07704 1.07964 1.08391 1.08540 1.08847 1.08857 1.08991 1.09896 1.11048 1.13163 1.14757 1.15322 1.15916 1.16611 1.18457 1.20595 1.24611 1.24933 1.26913 1.31805 1.32348 1.40463 1.54064 1.54894 1.66980 1.67537 4.72172 4.72998 4.78108 4.78642 4.82280 4.82552 6.32438 6.33169 22.45436 22.50970 22.51078 22.54698 22.54703 22.54927 22.61723 22.62252 22.62399 22.62697 22.63217 22.65619 41.48729 41.49268 41.54291 41.54517 166.70198 166.70658 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 P P O O O O 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 H H H H H 1.196808 1.196808 -0.514304 -0.514304 -0.647803 -0.647802 -0.375801 -0.375801 -0.267774 -0.267774 -0.670417 -0.670411 -0.670418 -0.670409 -0.639927 -0.639925 -0.639927 -0.639924 0.213310 0.213292 0.213291 0.213311 0.195180 0.195211 0.195208 0.195183 0.263520 0.230372 0.230353 0.263533 0.263525 0.230367 0.230358 0.263528 0.233143 0.257626 0.221621 0.257613 0.233155 0.221624 0.233146 0.257625 0.221621 0.257615 0.233152 0.221623 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 P P O O O O C C C C C C C C C C C C 1.196808 1.196808 -0.514304 -0.514304 -0.647803 -0.647802 0.050801 0.050801 0.122617 0.122617 -0.176524 -0.176526 -0.176527 -0.176523 0.072464 0.072467 0.072465 0.072466 0.00000 -2.00886442e-06 -2.50655344e-03 -4.01919062e-06 2.31016175e+02 1.72653516e-03 1.98072813e+02 -5.16700467e+00 5.41409919e-04 1.60690582e+02 0.0003 0.0008 0.0012 3.1622 3.5742 11.5863 17.9779 24.0772 28.4639 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 11.5862 24.0772 27.9505 37.2175 49.0870 52.4827 53.2125 58.8197 80.9787 93.3063 103.5201 107.6643 107.7274 115.3943 149.2616 151.0344 173.3387 180.7910 182.3450 192.9344 196.4441 196.9535 207.2536 255.2468 255.3223 271.3999 284.5847 301.9477 302.6484 324.8144 346.0038 411.3221 430.7325 434.7003 434.9285 584.2409 600.3427 660.7435 661.2095 668.3167 682.5083 752.6378 754.0319 755.8840 777.1715 778.9898 811.7918 929.1948 950.1825 971.5263 976.1509 976.4882 983.1457 983.1684 1003.4471 1003.5709 1012.3773 1012.4064 1035.2988 1035.4778 1044.6783 1048.9269 1060.7604 1062.2222 1076.5204 1080.4195 1103.1454 1124.5222 1158.5683 1234.0570 1234.4144 1241.8688 1252.0858 1252.8704 1254.1973 1263.5157 1263.5775 1277.0481 1277.1359 1281.3823 1288.4293 1326.6770 1367.8287 1371.7100 1398.9284 1398.9605 1400.3490 1400.4561 1427.9366 1427.9373 1437.6282 1437.9301 1470.2382 1470.2470 1470.3243 1470.3610 1470.9932 1471.0081 1479.3222 1486.8596 1486.9923 1486.9951 1489.5799 1492.2445 2928.8058 2929.0078 2980.7189 2981.4392 2992.3085 2992.3698 2992.6294 2992.8073 2992.9358 3001.0088 3002.7923 3002.8036 3006.4857 3006.5510 3043.9285 3062.3831 3062.4128 3065.9816 3065.9891 3071.9967 3089.7484 3089.7534 3089.9875 3090.0424 3098.7535 3098.7926 3099.6495 3099.7058 3.6589 3.8210 3.3197 5.3890 2.9743 1.7568 3.1039 2.5690 2.9272 2.9672 2.2677 3.2591 2.4079 3.5279 2.2920 8.0352 1.7051 1.4757 1.4643 1.1830 3.7216 3.8440 1.9586 1.9026 1.9046 2.9780 3.8044 3.4675 2.9844 3.7707 4.0578 4.4046 3.8473 4.0694 4.0664 5.0582 4.2759 6.5171 6.5374 6.0471 5.9018 1.1223 1.1839 1.1257 1.2676 1.2759 1.1471 1.1968 9.5161 7.6336 2.0200 2.1406 1.4340 1.4357 1.1846 1.1849 2.3249 2.3145 2.7008 2.6940 3.5752 3.2908 2.0701 2.1999 2.3838 2.4452 2.9418 1.5186 1.1677 1.2371 1.2344 1.2643 1.2091 1.2001 1.2367 1.3746 1.3738 1.3321 1.3330 1.0554 1.1535 1.3029 1.3019 1.5056 1.1811 1.1813 1.1833 1.1831 1.0802 1.0801 1.0825 1.0834 1.0680 1.0370 1.0717 1.0366 1.0435 1.0366 1.0809 1.0614 1.0478 1.0478 1.0537 1.0794 1.0542 1.0536 1.1057 1.1058 1.0354 1.0353 1.0526 1.0353 1.0426 1.0586 1.0586 1.0587 1.0589 1.0589 1.1033 1.1026 1.1026 1.1023 1.1023 1.1051 1.1006 1.1006 1.1005 1.1005 1.1009 1.1009 1.1009 1.1009 0.0003 0.0013 0.0015 0.0044 0.0042 0.0029 0.0052 0.0052 0.0113 0.0152 0.0143 0.0223 0.0165 0.0277 0.0301 0.1080 0.0302 0.0284 0.0287 0.0259 0.0846 0.0879 0.0496 0.0730 0.0732 0.1292 0.1815 0.1863 0.1611 0.2344 0.2862 0.4391 0.4206 0.4531 0.4532 1.0173 0.9080 1.6764 1.6840 1.5913 1.6198 0.3746 0.3966 0.3790 0.4511 0.4562 0.4454 0.6088 5.0620 4.2451 1.1340 1.2026 0.8166 0.8176 0.7028 0.7031 1.4039 1.3977 1.7056 1.7019 2.2989 2.1333 1.3724 1.4625 1.6277 1.6817 2.1092 1.1315 0.9235 1.1100 1.1082 1.1488 1.1168 1.1099 1.1462 1.2929 1.2924 1.2800 1.2810 1.0210 1.1282 1.3511 1.4352 1.6691 1.3619 1.3621 1.3671 1.3671 1.2977 1.2976 1.3182 1.3199 1.3602 1.3208 1.3651 1.3204 1.3303 1.3216 1.3937 1.3825 1.3650 1.3650 1.3775 1.4162 5.3280 5.3256 5.7878 5.7915 5.4623 5.4622 5.5539 5.4635 5.5027 5.6173 5.6240 5.6242 5.6395 5.6396 6.0231 6.0923 6.0923 6.1052 6.1051 6.1446 6.1905 6.1906 6.1908 6.1910 6.2283 6.2285 6.2320 6.2322 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