Gaussian 09 GINC-KIMIK2070 CBGUSER 000197489 EM64L-G09RevD.01 30-Oct-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 294.0503219999999 0 1 AuxInfo=1/0/N:19,16,17,18,14,13,12,15,10,11,7,8,9,5,6,3,4,2,1/E:(2,3)(11,12)/CRV:4.3,8.3,13.1,15.1,18.4,19.4/rA:39P4P4OOOO1OOO1CCCCCC3CCC3CHHHHHHHHHHHHHHHHHHHH/rB:;s1;s1s2;s1;s1;s2;s2;s2;;s3s10;s10;s10;s12;s14;s11;s11;s13s15;s15;s10;s12;s12;s13;s13;s14;s14;s16;s16;s16;s17;s17;s17;s18;s19;s19;s19;s5;s7;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-7337.inp" -scrdir="/scratch/" chk=000197489.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 000197489 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 31 31 16 16 16 16 16 16 16 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 30.9737634 30.9737634 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 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 (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 1 1 1 1 2 2 2 2 3 5 7 8 10 10 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 16 17 17 17 18 19 19 19 3 4 5 6 4 7 8 9 11 37 38 39 11 12 13 20 16 17 14 21 22 18 23 24 15 25 26 18 19 27 28 29 30 31 32 33 34 35 36 1.6613 1.6528 1.6337 1.4514 1.682 1.6437 1.632 1.4595 1.4858 1.0007 1.0315 0.9965 1.5557 1.5374 1.5433 1.1224 1.5295 1.5202 1.5351 1.1066 1.1072 1.4976 1.1089 1.121 1.5051 1.1094 1.1103 1.3409 1.4964 1.1034 1.098 1.0969 1.1081 1.0989 1.0956 1.0876 1.0983 1.0977 1.0996 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 3 4 4 5 4 4 4 7 7 8 1 1 1 2 2 11 11 11 12 12 13 3 3 3 10 10 16 10 10 10 14 14 21 10 10 10 18 18 23 12 12 12 15 15 25 14 14 18 11 11 11 27 27 28 11 11 11 30 30 31 13 13 15 15 15 15 34 34 35 1 1 1 1 1 1 2 2 2 2 2 2 3 4 5 7 8 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 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 19 19 19 4 5 6 5 6 6 7 8 9 8 9 9 11 2 37 38 39 12 13 20 13 20 20 10 16 17 16 17 17 14 21 22 21 22 22 18 23 24 23 24 24 15 25 26 25 26 26 18 19 19 27 28 29 28 29 29 30 31 32 31 32 32 15 33 33 34 35 36 35 36 36 88.4005 100.9541 123.5128 101.6595 121.2134 115.8247 99.464 94.4635 121.588 100.0244 120.7815 115.4821 121.4613 117.8086 116.9082 116.621 116.9092 114.3712 111.3839 106.1325 109.9844 106.9707 107.6125 104.4185 108.76 107.049 110.435 114.0088 111.7328 110.8067 111.1781 110.9304 109.846 109.4288 104.4638 113.034 109.8049 110.1449 109.915 108.5431 105.0899 112.9594 109.1135 110.0234 110.3032 108.6674 105.5073 122.5201 115.3008 122.1749 113.1461 110.9134 112.8632 105.0729 107.6572 106.6875 111.5654 113.0523 111.7513 106.4735 106.995 106.6141 123.5989 114.634 121.7623 111.6416 112.7604 110.9072 107.013 107.25 106.9679 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 4 5 6 3 5 6 3 4 6 7 8 9 4 8 9 4 7 9 1 1 1 12 12 12 13 13 13 20 20 20 11 11 11 13 13 13 20 20 20 11 11 11 12 12 12 20 20 20 3 3 3 10 10 10 17 17 17 3 3 3 10 10 10 16 16 16 10 10 10 21 21 21 22 22 22 10 10 23 23 24 24 12 12 25 25 26 26 14 14 19 19 14 14 14 18 18 18 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 3 3 3 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 3 3 3 4 4 4 5 5 5 4 4 4 7 7 7 8 8 8 11 11 11 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 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 14 14 14 14 14 14 14 14 14 18 18 18 18 18 18 15 15 15 15 15 15 18 18 18 18 19 19 19 19 19 19 11 11 11 2 2 2 37 37 37 1 1 1 38 38 38 39 39 39 10 16 17 3 16 17 3 16 17 3 16 17 14 21 22 14 21 22 14 21 22 18 23 24 18 23 24 18 23 24 27 28 29 27 28 29 27 28 29 30 31 32 30 31 32 30 31 32 15 25 26 15 25 26 15 25 26 15 33 15 33 15 33 18 19 18 19 18 19 13 33 13 33 34 35 36 34 35 36 -140.4276 118.0049 -13.3208 -2.1182 98.7376 -131.0877 47.2056 -43.4195 -176.8693 -61.2705 -162.2245 74.0925 105.0688 -158.6397 -30.7723 31.9145 -68.5301 160.1739 -163.8297 -45.9219 74.9545 -77.0835 166.1627 39.3981 48.39 -68.3639 164.8716 165.2318 48.478 -78.2865 -174.1006 63.4395 -52.3435 59.6943 -62.7655 -178.5486 -56.8956 -179.3554 64.8615 -172.3206 64.5509 -50.7159 -44.445 -167.5734 77.1597 71.7422 -51.3862 -166.653 71.27 -170.9476 -51.2949 -174.7018 -56.9195 62.7332 -46.6812 71.1012 -169.2461 46.5407 -73.4307 166.2812 -68.4018 171.6268 51.3387 165.5118 45.5403 -74.7478 -45.2862 -168.3544 76.3393 77.9457 -45.1226 -160.4289 -167.9198 69.0119 -46.2943 16.1892 -164.603 139.2566 -41.5356 -106.3136 72.8942 16.5105 -164.2118 138.9158 -41.8064 -105.8767 73.4011 -1.678 179.1689 179.0934 -0.0597 -50.4754 -170.9943 69.0681 128.8051 8.2862 -111.6514 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 217 234 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 39 39 39 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= 13203 NPrTT= 64718 LenC2= 11920 LenP2D= 37109. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 246 RedAO= T EigKep= 1.59D-03 NBF= 246 NBsUse= 246 1.00D-06 EigRej= -1.00D+00 NBFU= 246 Using GEDIIS/GDIIS optimizer. local minimum Step number 38 out of a maximum of 217 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00132 0.00230 0.00355 0.00467 0.00483 0.00498 0.00719 0.00991 0.01171 0.01216 0.01372 0.01734 0.02258 0.02876 0.03095 0.03253 0.03620 0.04251 0.04497 0.04692 0.04977 0.05266 0.05333 0.05582 0.05690 0.05727 0.05744 0.05814 0.06760 0.07050 0.07357 0.07668 0.08310 0.08484 0.08669 0.09381 0.09668 0.10254 0.10787 0.11098 0.11914 0.12139 0.12396 0.13751 0.15132 0.15667 0.15799 0.15908 0.15956 0.15988 0.15996 0.16011 0.16030 0.16056 0.16103 0.16196 0.16597 0.16663 0.17337 0.17813 0.18953 0.19212 0.19764 0.20446 0.21864 0.22629 0.23165 0.24944 0.25139 0.27374 0.27716 0.28120 0.28259 0.29689 0.30618 0.31061 0.31151 0.31423 0.31777 0.32343 0.32469 0.32582 0.32666 0.32749 0.32846 0.33028 0.33120 0.33385 0.33688 0.33751 0.33872 0.33928 0.33953 0.34142 0.34158 0.34412 0.35090 0.35707 0.37563 0.39088 0.40584 0.42334 0.45012 0.45946 0.48170 0.48733 0.54839 0.61428 0.69931 0.93173 1.36094 RFO step: Lambda=-2.85466598D-07. 1 2 3 0.00138237 0.00000106 0.00000000 0.00000105 0.00000084 0.00000084 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 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 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 3.22569 3.33152 3.24625 2.97220 3.29445 3.26832 3.21790 2.97947 2.88208 1.91063 1.93012 1.87682 2.96641 2.93871 2.96423 2.09812 2.91289 2.91029 2.91795 2.08702 2.08892 2.87308 2.09648 2.09005 2.87096 2.09119 2.10095 2.58501 2.85876 2.08839 2.08806 2.08323 2.08007 2.08544 2.09001 2.08252 2.09335 2.08598 2.09275 1.64246 1.86529 2.11581 1.76912 2.01494 1.99778 1.72507 1.69519 2.13465 1.83745 2.00800 2.01158 2.25126 2.16672 1.92220 2.01773 1.98462 1.93069 1.94304 1.84072 1.98012 1.87951 1.88253 1.79827 1.94021 1.83421 1.98207 1.97238 1.92715 1.98508 1.91599 1.90769 1.88651 1.89753 1.86730 2.03002 1.90260 1.92187 1.88346 1.88777 1.82700 1.95926 1.90641 1.92961 1.92007 1.89243 1.85309 2.08205 2.05438 2.14660 1.92910 1.90501 1.97075 1.87997 1.88925 1.88717 1.93796 1.92427 1.92460 1.88587 1.89809 1.89192 2.17181 2.02291 2.08042 1.92886 1.95974 1.93398 1.88783 1.85781 1.89202 3.12420 1.32318 -1.00906 -0.72915 1.15815 -2.95572 1.06425 -0.64426 -2.82515 -0.68075 -2.54389 1.54019 2.18202 -2.35686 -0.12259 0.09963 -1.66710 2.38396 -2.29463 -0.16563 1.91941 -1.04683 3.13583 0.92315 1.17174 -0.92879 -3.14147 -3.07427 1.10839 -1.10429 2.91065 0.79467 -1.24842 0.71271 -1.40327 2.83683 -1.36935 2.79786 0.75477 -2.33407 1.81581 -0.17923 -0.14271 -2.27602 2.01213 1.93761 -0.19569 -2.19073 1.07469 3.13929 -1.04446 3.09299 -1.12561 0.97383 -0.95400 1.11059 -3.07316 0.84742 -1.24213 2.95252 -1.10054 3.09309 1.00455 2.94116 0.85160 -1.23693 -0.92041 -3.05497 1.19523 1.21194 -0.92262 -2.95560 -3.05016 1.09847 -0.93451 -0.25799 3.02113 1.88534 -1.11873 -2.43040 0.84872 0.53927 -2.62041 2.66606 -0.49361 -1.59758 1.52593 0.05066 3.05051 -3.07185 -0.07200 -0.97707 -3.08664 1.07800 2.14572 0.03615 -2.08240 0.00001 -0.00001 0.00005 0.00002 0.00011 0.00011 0.00002 0.00002 -0.00004 -0.00013 -0.00003 -0.00002 -0.00004 -0.00002 -0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00001 0.00003 0.00000 0.00002 0.00004 0.00000 0.00000 0.00003 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00001 0.00002 0.00001 0.00001 0.00000 0.00000 -0.00008 0.00004 -0.00001 0.00003 0.00002 -0.00001 0.00001 -0.00001 -0.00002 0.00001 0.00003 -0.00001 0.00014 0.00003 0.00004 -0.00008 0.00001 -0.00003 -0.00001 0.00001 0.00003 0.00001 0.00000 -0.00008 0.00005 0.00001 0.00003 0.00003 -0.00004 -0.00001 0.00000 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00002 0.00001 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00002 0.00002 0.00000 -0.00001 -0.00002 0.00001 0.00001 0.00000 0.00001 0.00000 -0.00002 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00003 0.00002 0.00000 -0.00005 -0.00002 0.00000 -0.00004 0.00003 -0.00002 -0.00001 -0.00002 0.00003 -0.00001 -0.00002 -0.00001 0.00003 0.00002 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 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-0.00002 -0.00006 -0.00007 0.00007 -0.00007 0.00004 0.00009 0.00001 -0.00011 0.00003 0.00002 0.00003 0.00001 0.00002 -0.00001 0.00000 -0.00002 -0.00003 0.00000 0.00000 -0.00001 0.00005 0.00045 0.00049 0.00074 -0.00005 0.00013 0.00004 -0.00002 -0.00019 -0.00033 -0.00002 -0.00032 0.00020 -0.00095 -0.00091 -0.00104 0.00403 0.00415 0.00387 0.00026 0.00027 0.00027 -0.00031 -0.00027 -0.00047 -0.00032 -0.00028 -0.00048 -0.00027 -0.00024 -0.00043 0.00005 -0.00002 -0.00004 0.00009 0.00002 0.00000 -0.00008 -0.00015 -0.00017 -0.00001 0.00009 0.00001 -0.00015 -0.00005 -0.00013 0.00003 0.00013 0.00005 -0.00059 -0.00076 -0.00065 -0.00074 -0.00091 -0.00080 -0.00052 -0.00069 -0.00057 0.00032 0.00036 0.00040 0.00054 0.00058 0.00061 0.00032 0.00036 0.00039 -0.00001 -0.00005 -0.00007 0.00003 -0.00001 -0.00003 0.00014 0.00010 0.00007 0.00013 0.00009 0.00006 0.00002 0.00003 -0.00001 0.00001 0.00009 0.00009 0.00017 0.00007 0.00015 -0.00006 -0.00002 -0.00014 -0.00010 -0.00068 -0.00065 -0.00070 -0.00060 -0.00058 -0.00062 0.00044 -0.00048 0.00018 0.00007 0.00057 0.00036 -0.00008 -0.00002 -0.00026 -0.00016 0.00017 -0.00006 -0.00005 -0.00005 0.00007 -0.00003 0.00003 -0.00001 0.00006 0.00003 0.00001 0.00010 0.00000 0.00006 0.00011 -0.00003 0.00000 0.00005 -0.00006 0.00002 0.00002 -0.00003 -0.00001 0.00003 0.00004 0.00003 0.00003 0.00001 0.00001 -0.00012 -0.00012 0.00000 0.00030 -0.00006 0.00003 0.00032 -0.00016 -0.00027 -0.00011 0.00029 -0.00008 -0.00002 0.00029 0.00004 -0.00073 0.00019 -0.00017 0.00006 -0.00008 0.00008 0.00005 0.00005 -0.00038 0.00026 -0.00003 0.00020 -0.00003 -0.00004 -0.00020 0.00004 -0.00012 0.00015 0.00004 0.00012 -0.00006 -0.00015 0.00021 -0.00002 0.00000 0.00003 -0.00012 0.00019 -0.00024 0.00008 0.00004 0.00006 -0.00023 0.00022 0.00003 -0.00010 -0.00009 0.00011 0.00000 0.00001 0.00008 0.00002 -0.00011 0.00003 0.00000 0.00005 0.00002 -0.00007 0.00002 0.00004 0.00001 -0.00003 -0.00006 0.00005 0.00001 0.00004 0.00122 0.00096 0.00105 -0.00148 -0.00159 -0.00138 -0.00017 -0.00012 -0.00027 0.00129 0.00138 0.00179 -0.00300 -0.00309 -0.00308 0.00161 0.00135 0.00112 -0.00025 -0.00011 -0.00004 -0.00020 -0.00037 -0.00047 -0.00019 -0.00036 -0.00045 -0.00014 -0.00031 -0.00040 -0.00037 -0.00045 -0.00054 -0.00037 -0.00045 -0.00054 -0.00052 -0.00060 -0.00070 0.00138 0.00157 0.00151 0.00126 0.00144 0.00138 0.00141 0.00160 0.00154 -0.00002 -0.00014 -0.00004 -0.00021 -0.00033 -0.00022 -0.00012 -0.00024 -0.00013 0.00054 0.00060 0.00063 0.00102 0.00108 0.00111 0.00081 0.00087 0.00090 -0.00079 -0.00094 -0.00099 -0.00077 -0.00092 -0.00097 -0.00053 -0.00068 -0.00074 -0.00125 -0.00119 -0.00150 -0.00144 -0.00147 -0.00141 0.00096 0.00149 0.00118 0.00171 0.00132 0.00185 0.00007 0.00000 -0.00049 -0.00056 -0.00071 -0.00075 -0.00073 -0.00016 -0.00020 -0.00019 3.22613 3.33104 3.24643 2.97226 3.29502 3.26868 3.21782 2.97946 2.88182 1.91047 1.93028 1.87676 2.96635 2.93866 2.96430 2.09810 2.91291 2.91027 2.91801 2.08706 2.08893 2.87318 2.09647 2.09011 2.87107 2.09116 2.10095 2.58507 2.85871 2.08841 2.08809 2.08319 2.08006 2.08547 2.09005 2.08255 2.09338 2.08598 2.09277 1.64234 1.86517 2.11581 1.76942 2.01488 1.99780 1.72538 1.69503 2.13438 1.83734 2.00828 2.01150 2.25124 2.16701 1.92225 2.01701 1.98480 1.93052 1.94310 1.84064 1.98020 1.87957 1.88259 1.79789 1.94047 1.83418 1.98227 1.97235 1.92710 1.98488 1.91603 1.90758 1.88665 1.89757 1.86741 2.02996 1.90246 1.92207 1.88344 1.88777 1.82703 1.95914 1.90661 1.92937 1.92015 1.89247 1.85315 2.08182 2.05460 2.14663 1.92900 1.90493 1.97086 1.87997 1.88927 1.88725 1.93798 1.92416 1.92462 1.88587 1.89814 1.89193 2.17174 2.02294 2.08046 1.92886 1.95971 1.93392 1.88788 1.85782 1.89205 3.12542 1.32414 -1.00800 -0.73063 1.15656 -2.95709 1.06407 -0.64438 -2.82541 -0.67946 -2.54251 1.54198 2.17902 -2.35995 -0.12566 0.10124 -1.66576 2.38508 -2.29489 -0.16574 1.91937 -1.04703 3.13546 0.92269 1.17155 -0.92915 3.14127 -3.07441 1.10808 -1.10469 2.91028 0.79422 -1.24897 0.71234 -1.40371 2.83628 -1.36987 2.79726 0.75408 -2.33269 1.81737 -0.17773 -0.14145 -2.27457 2.01351 1.93902 -0.19410 -2.18920 1.07467 3.13914 -1.04450 3.09278 -1.12594 0.97361 -0.95412 1.11035 -3.07329 0.84796 -1.24153 2.95315 -1.09952 3.09417 1.00566 2.94197 0.85247 -1.23604 -0.92120 -3.05591 1.19424 1.21117 -0.92354 -2.95657 -3.05069 1.09778 -0.93525 -0.25924 3.01994 1.88384 -1.12016 -2.43188 0.84730 0.54023 -2.61892 2.66724 -0.49191 -1.59626 1.52777 0.05072 3.05051 -3.07234 -0.07256 -0.97778 -3.08738 1.07727 2.14556 0.03595 -2.08258 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000141 0.000026 0.007666 0.001382 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -5.421702e-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 1 1 1 1 2 2 2 2 3 5 7 8 10 10 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 16 17 17 17 18 19 19 19 3 4 5 6 4 7 8 9 11 37 38 39 11 12 13 20 16 17 14 21 22 18 23 24 15 25 26 18 19 27 28 29 30 31 32 33 34 35 36 1.707 1.763 1.7178 1.5728 1.7433 1.7295 1.7028 1.5767 1.5251 1.0111 1.0214 0.9932 1.5698 1.5551 1.5686 1.1103 1.5414 1.5401 1.5441 1.1044 1.1054 1.5204 1.1094 1.106 1.5192 1.1066 1.1118 1.3679 1.5128 1.1051 1.105 1.1024 1.1007 1.1036 1.106 1.102 1.1078 1.1039 1.1074 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 3 3 4 4 5 4 4 4 7 7 8 1 1 1 2 2 11 11 11 12 12 13 3 3 3 10 10 16 10 10 10 14 14 21 10 10 10 18 18 23 12 12 12 15 15 25 14 14 18 11 11 11 27 27 28 11 11 11 30 30 31 13 13 15 15 15 15 34 34 35 1 1 1 1 1 1 2 2 2 2 2 2 3 4 5 7 8 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 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 19 19 19 4 5 6 5 6 6 7 8 9 8 9 9 11 2 37 38 39 12 13 20 13 20 20 10 16 17 16 17 17 14 21 22 21 22 22 18 23 24 23 24 24 15 25 26 25 26 26 18 19 19 27 28 29 28 29 29 30 31 32 31 32 32 15 33 33 34 35 36 35 36 36 94.106 106.8734 121.2269 101.3632 115.4476 114.4642 98.839 97.127 122.3064 105.2783 115.0497 115.2548 128.9875 124.1438 110.1341 115.6076 113.7101 110.6202 111.3278 105.4655 113.4526 107.6882 107.8612 103.0335 111.1661 105.0927 113.5642 113.0091 110.4173 113.7365 109.7783 109.3029 108.0889 108.7207 106.9881 116.3115 109.0112 110.115 107.9141 108.1611 104.6795 112.2573 109.2295 110.5583 110.012 108.4282 106.174 119.2928 117.7072 122.9913 110.5294 109.1492 112.9159 107.7145 108.2463 108.1269 111.037 110.2527 110.2713 108.0523 108.7527 108.3988 124.4356 115.9044 119.1992 110.5153 112.2849 110.8092 108.1649 106.4448 108.4045 -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 = 0.0001|-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 = -0.0001|-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 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 4 5 6 3 5 6 3 4 6 7 8 9 4 8 9 4 7 9 1 1 1 12 12 12 13 13 13 20 20 20 11 11 11 13 13 13 20 20 20 11 11 11 12 12 12 20 20 20 3 3 3 10 10 10 17 17 17 3 3 3 10 10 10 16 16 16 10 10 10 21 21 21 22 22 22 10 10 23 23 24 24 12 12 25 25 26 26 14 14 19 19 14 14 14 18 18 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 3 3 3 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 3 3 3 4 4 4 5 5 5 4 4 4 7 7 7 8 8 8 11 11 11 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 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 14 14 14 14 14 14 14 14 14 18 18 18 18 18 18 15 15 15 15 15 15 18 18 18 18 19 19 19 19 19 11 11 11 2 2 2 37 37 37 1 1 1 38 38 38 39 39 39 10 16 17 3 16 17 3 16 17 3 16 17 14 21 22 14 21 22 14 21 22 18 23 24 18 23 24 18 23 24 27 28 29 27 28 29 27 28 29 30 31 32 30 31 32 30 31 32 15 25 26 15 25 26 15 25 26 15 33 15 33 15 33 18 19 18 19 18 19 13 33 13 33 34 35 36 34 35 179.0035 75.8126 -57.8146 -41.7773 66.3572 -169.3501 60.9768 -36.9134 -161.869 -39.0043 -145.7542 88.2463 125.0206 -135.0381 -7.0236 5.7083 -95.518 136.591 -131.4729 -9.4902 109.9739 -59.979 179.6699 52.8928 67.1355 -53.2156 180.0073 -176.1427 63.5061 -63.2709 166.7678 45.5312 -71.5294 40.8353 -80.4012 162.5382 -78.4577 160.3058 43.2452 -133.7325 104.0381 -10.2692 -8.1769 -130.4063 115.2864 111.017 -11.2124 -125.5197 61.5754 179.8678 -59.8433 177.215 -64.4926 55.7963 -54.6603 63.6321 -176.079 48.5538 -71.1689 169.1667 -63.0565 177.2208 57.5564 168.516 48.7933 -70.871 -52.7356 -175.037 68.4819 69.4391 -52.8623 -169.3434 -174.7612 62.9374 -53.5437 -14.7819 173.0978 108.0221 -64.0982 -139.2518 48.6279 30.8979 -150.1382 152.7542 -28.2819 -91.5347 87.4292 2.9024 174.7811 -176.0039 -4.1252 -55.9818 -176.8512 61.7649 122.9408 2.0715 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 294.0503219999999 AuxInfo=1/0/N:19,16,17,18,14,13,12,15,10,11,7,8,9,5,6,3,4,2,1/E:(2,3)(11,12)/CRV:4.3,8.3,13.1,15.1,18.4,19.4/rA:39P4P4OOOO1OOO1CCCCCC3CCC3CHHHHHHHHHHHHHHHHHHHH/rB:;s1;s1s2;s1;s1;s2;s2;s2;;s3s10;s10;s10;s12;s14;s11;s11;s13s15;s15;s10;s12;s12;s13;s13;s14;s14;s16;s16;s16;s17;s17;s17;s18;s19;s19;s19;s5;s7;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.855691 0.000000 1.661342 2.398099 0.000000 1.652828 1.682021 2.310543 0.000000 1.633738 3.627245 2.541785 2.548014 0.000000 1.451421 4.044243 2.743967 2.706449 2.615652 0.000000 3.147058 1.643675 2.393008 2.537726 3.214055 4.571778 0.000000 3.996492 1.632035 3.939862 2.433105 4.477734 5.124162 2.509800 0.000000 3.611026 1.459493 2.776955 2.744285 4.718647 4.522056 2.699475 2.615955 0.000000 3.986068 4.051977 2.403931 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0.11911 1.17423 0.81413 0.72050 0.66859 0.88420 0.91625 0.88645 0.14325 0.21179 0.13067 1.17442 0.81405 0.75695 0.33978 0.84672 0.81462 0.91259 -0.01843 0.05179 -0.16494 1.17417 0.81421 0.72076 0.72888 0.94387 0.88688 0.91387 0.24406 0.17201 0.19438 1.17416 0.81423 0.71915 0.74352 0.92618 0.95398 0.86832 0.22606 0.25822 0.12608 1.17434 0.81406 0.74145 0.53814 0.85206 0.83436 0.94040 0.16905 0.20939 0.15026 1.17417 0.81429 0.72485 0.73533 0.90189 0.90992 0.93521 0.18524 0.20192 0.25905 0.50884 0.27355 0.51339 0.24410 0.51498 0.24660 0.51261 0.25577 0.52303 0.30301 0.51082 0.26594 0.51073 0.27418 0.50635 0.21948 0.51064 0.25383 0.51281 0.24942 0.50082 0.19714 0.51039 0.24334 0.51211 0.26440 0.52079 0.25125 0.51194 0.26376 0.51362 0.25511 0.51038 0.25954 0.45550 0.12979 0.44355 0.16914 0.45923 0.12573 -4.8635 0.0989 -2.0504 5.2790 -130.7304 -137.2043 -130.8285 8.3454 -5.9523 -9.0752 2.1906 -4.2832 2.0926 8.3454 -5.9523 -9.0752 -55.2092 29.5187 -3.3431 -52.3982 62.9471 -4.7483 -28.1843 10.9733 5.2319 -25.1813 -4322.3262 -2123.8773 -1030.1143 468.3992 13.3633 413.2194 -116.4286 92.4501 -143.7915 -1115.5661 -902.0315 -532.4733 -111.5380 6.8920 130.6160 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 294.0503219999999 AuxInfo=1/0/N:19,16,17,18,14,13,12,15,10,11,7,8,9,5,6,3,4,2,1/E:(2,3)(11,12)/CRV:4.3,8.3,13.1,15.1,18.4,19.4/rA:39P4P4OOOO1OOO1CCCCCC3CCC3CHHHHHHHHHHHHHHHHHHHH/rB:;s1;s1s2;s1;s1;s2;s2;s2;;s3s10;s10;s10;s12;s14;s11;s11;s13s15;s15;s10;s12;s12;s13;s13;s14;s14;s16;s16;s16;s17;s17;s17;s18;s19;s19;s19;s5;s7;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.097968 0.000000 1.706960 3.085016 0.000000 1.762964 1.743350 2.540216 0.000000 1.717842 3.529182 2.750806 2.693032 0.000000 1.572818 4.450208 2.858524 2.822177 2.768130 0.000000 3.188371 1.729518 3.137229 2.637633 2.785230 4.727370 0.000000 4.210433 1.702840 4.654364 2.583712 4.397393 5.334443 2.728188 0.000000 4.070618 1.576669 3.427294 2.909159 4.781417 5.355559 2.790387 2.770644 0.000000 3.937949 4.576444 2.422806 4.729586 4.220041 5.040393 4.014070 6.239914 4.445072 0.000000 2.918137 4.478988 1.525132 4.057739 3.629100 3.693134 4.236055 6.105808 4.574421 1.569755 0.000000 4.509022 4.199606 2.867135 4.762568 5.042699 5.711517 4.024831 5.861007 3.557050 1.555098 2.569405 0.000000 4.009681 4.473777 2.971011 4.769319 3.631845 5.291828 3.351602 5.958188 4.712673 1.568604 2.591477 2.611610 0.000000 5.660016 4.718871 4.162658 5.694536 5.875460 7.011453 4.292113 6.211813 3.967047 2.595333 3.955955 1.544111 2.972559 0.000000 5.526045 4.372483 4.340727 5.493826 5.322078 7.014689 3.483225 5.679882 4.017502 3.019517 4.377223 2.543516 2.556339 1.519245 0.000000 3.165832 5.459937 2.529769 4.735575 3.479187 3.544257 4.954595 6.946612 5.870035 2.602845 1.541433 3.962358 3.042547 5.185054 5.368751 0.000000 3.784123 5.244952 2.433304 4.742412 4.907196 4.162739 5.413705 6.865724 5.015786 2.593416 1.540057 3.005563 3.975781 4.523328 5.343130 2.530630 0.000000 4.769918 4.211625 3.811039 5.027979 4.265619 6.238214 2.933968 5.522394 4.331083 2.624161 3.829650 2.869032 1.520369 2.492583 1.367929 4.509714 5.090934 0.000000 6.679313 4.945228 5.644419 6.352963 6.363775 8.222191 4.099254 5.920181 4.513964 4.529047 5.850082 3.877846 3.958261 2.594967 1.512791 6.844080 6.776457 2.532466 0.000000 4.863172 5.681618 3.377661 5.791509 5.108882 5.797389 5.080021 7.347940 5.463433 1.110278 2.150894 2.168006 2.182102 2.972993 3.578031 2.820103 2.807130 3.267921 5.054127 0.000000 3.910777 3.222792 2.385122 3.852506 4.621599 5.165365 3.390294 4.879978 2.504342 2.190970 2.694042 1.104405 3.028265 2.159391 2.847102 4.171768 3.109277 3.139047 4.015913 3.066663 0.000000 5.128704 4.989655 3.428105 5.425086 5.884749 6.136031 5.042105 6.648243 4.154633 2.185575 2.897076 1.105408 3.535442 2.168378 3.482404 4.306742 2.754223 3.921676 4.713245 2.386937 1.776237 0.000000 4.833443 5.555698 3.886653 5.772740 4.279089 5.972152 4.325351 6.992355 5.813677 2.196603 3.199536 3.401811 1.109407 3.596569 3.173035 3.242913 4.523648 2.140079 4.475513 2.279846 4.013930 4.175325 0.000000 3.208281 4.106950 2.604667 4.121545 2.575707 4.475908 2.903050 5.481973 4.698558 2.208402 2.564765 3.312639 1.106006 3.879481 3.337087 2.703189 4.092416 2.140796 4.623139 2.951677 3.428784 4.241641 1.753827 0.000000 6.209218 4.805544 4.737882 5.965340 6.567155 7.558853 4.680246 6.180846 3.749491 3.536364 4.725510 2.175871 3.999370 1.106610 2.164110 6.077477 5.081591 3.361677 2.681247 3.946416 2.436917 2.513015 4.688421 4.817232 0.000000 6.476921 5.803196 4.925132 6.691969 6.630917 7.757641 5.265920 7.307209 5.067128 2.929020 4.403807 2.196815 3.339000 1.111773 2.147562 5.489708 4.879289 3.009109 3.066830 2.885936 3.085515 2.474963 3.643985 4.386007 1.773708 0.000000 2.994708 5.716895 2.800243 4.676744 3.571256 2.866194 5.429881 7.096559 6.224478 3.556973 2.189086 4.755737 4.046739 6.089311 6.305864 1.105126 2.740178 5.456924 7.759895 3.825538 4.791987 5.011355 4.312890 3.549079 6.902196 6.465308 0.000000 4.266344 6.434364 3.479422 5.807104 4.512403 4.550435 5.868331 7.971045 6.703881 2.876550 2.171256 4.287403 3.429452 5.428751 5.737862 1.104956 2.791715 4.941232 7.236568 2.646006 4.732298 4.463208 3.325647 3.355150 6.369948 5.513663 1.784752 0.000000 3.122254 5.353527 2.821370 4.694221 2.865221 3.683774 4.547644 6.728317 5.982835 2.865239 2.216894 4.309710 2.690241 5.317826 5.187284 1.102397 3.511141 4.113731 6.590235 3.192896 4.492520 4.876225 2.781684 2.083444 6.272722 5.651875 1.788709 1.787222 0.000000 4.036950 4.874348 2.580836 4.586803 5.297620 4.554317 5.311343 6.482345 4.362599 2.879954 2.190985 2.686482 4.319423 4.187680 5.162612 3.488050 1.100726 5.163375 6.486107 3.242131 2.587283 2.264819 5.024164 4.527436 4.523853 4.654459 3.706881 3.834695 4.362240 0.000000 3.677394 5.591560 2.763092 4.757956 4.973469 3.626893 5.894966 7.098652 5.525055 3.546468 2.183179 4.037335 4.770868 5.572417 6.308625 2.690508 1.103566 5.950917 7.733121 3.786596 3.974067 3.813580 5.301070 4.674681 6.099521 5.974032 2.433608 3.027544 3.718568 1.783902 0.000000 4.789261 6.215618 3.410243 5.813964 5.751619 5.123828 6.247546 7.871541 5.886960 2.826860 2.185232 3.306476 4.280734 4.687470 5.641160 2.870086 1.105987 5.447120 7.092037 2.590008 3.721976 2.827620 4.605479 4.583412 5.292797 4.790623 3.206497 2.686370 3.886724 1.793752 1.792075 0.000000 5.162265 4.533039 4.518179 5.369559 4.308815 6.636519 2.985276 5.588732 4.908007 3.605774 4.665986 3.958233 2.233812 3.498027 2.134604 5.121357 6.032227 1.102024 2.747630 4.215727 4.124834 5.021020 2.583155 2.493239 4.270798 3.957980 6.028284 5.588865 4.515605 6.161372 6.817262 6.422752 0.000000 7.622394 5.982437 6.462590 7.371367 7.339289 9.137614 5.182427 6.985081 5.405747 5.037023 6.476868 4.333718 4.584050 2.850018 2.165698 7.469630 7.298176 3.269254 1.107753 5.357076 4.664238 5.001321 4.924867 5.393745 2.837074 2.947808 8.440511 7.726030 7.269063 6.998200 8.317190 7.468316 3.521977 0.000000 6.869790 5.151194 6.057170 6.542433 6.291283 8.431649 4.049909 5.921204 5.020400 5.086170 6.345205 4.686625 4.197180 3.543123 2.184838 7.169854 7.435468 2.679487 1.103852 5.647064 4.767690 5.616358 4.622940 4.699988 3.753030 3.986019 8.077238 7.606822 6.751553 7.240463 8.338771 7.797969 2.427923 1.791096 0.000000 6.738265 4.569637 5.744917 6.138053 6.598005 8.278665 4.069303 5.403312 3.938699 4.980906 6.157321 4.065646 4.607151 2.896372 2.169169 7.295655 6.954704 3.252568 1.107438 5.619949 3.955768 4.832739 5.291713 5.172166 2.588594 3.570977 8.125280 7.781115 7.119397 6.507467 7.871663 7.367778 3.524762 1.774291 1.793549 0.000000 2.273530 2.982293 2.936860 2.662419 1.011063 3.594010 1.901679 3.809181 4.273181 4.142767 3.900441 4.780048 3.347319 5.387517 4.651717 4.022017 5.244659 3.631302 5.548260 5.105440 4.323443 5.732884 4.086164 2.380945 6.029033 6.198113 4.316603 5.010515 3.378591 5.495385 5.485182 6.078032 3.559924 6.563337 5.402264 5.758638 0.000000 3.710922 2.358263 3.200564 3.403651 3.325189 5.283017 1.021373 3.542658 2.886931 3.417622 4.000153 3.350808 2.678162 3.390167 2.470417 4.822023 5.203960 1.986694 3.171044 4.424971 2.910658 4.425824 3.648958 2.542987 3.852776 4.323908 5.478436 5.604033 4.443534 5.092902 5.853941 5.907948 2.178395 4.228097 3.208091 3.283521 2.481841 0.000000 4.063981 2.290447 4.851589 2.462586 4.257314 4.966385 3.231915 0.993168 3.527639 6.691435 6.351851 6.473305 6.404873 6.971988 6.448589 7.036605 7.101022 6.140190 6.790378 7.799464 5.490922 7.239347 7.408726 5.785396 7.016571 8.055017 7.047215 8.106548 6.797251 6.800470 7.189299 8.151242 6.167514 7.871128 6.747052 6.339732 3.830943 4.167778 0.000000 0.3704054 0.3124565 0.2150742 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= 239 239 239 239 239 MxSgAt= 39 MxSgA2= 39. 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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= 13203 NPrTT= 64718 LenC2= 11942 LenP2D= 36911. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 246 RedAO= T EigKep= 1.60D-03 NBF= 246 NBsUse= 246 1.00D-06 EigRej= -1.00D+00 NBFU= 246 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= 237 238 240 240 240 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 0 1 -1599.86436041092 -1599.67783816044 0.186522250480 -1600.29924968520 -0.621411524759 -1598.67071836272 1.628531322484 -1600.66352337344 -1.992805010726 -1600.76197201742 -0.098448643983 -1600.76580825374 -0.003836236315 -1600.76606655505 -0.000258301315 -1600.76616055938 -0.000094004324 -1600.76616987879 -0.000009319408 -1600.76621208682 -0.000042208039 -1600.76621367601 -0.000001589186 -1600.76621312652 0.000000549495 -1600.76621399426 -0.000000867750 -1600.76621402144 -0.000000027174 -1600.76621402330 -0.000000001862 -1600.76621402362 -0.000000000322 -1600.76621402360 0.000000000028 -1600.76621402363 -0.000000000031 -1600.76621402 19 1.596408788099e+03 -8.000118275506e+03 2.689129020472e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 203128 IEndB= 203128 NGot= 402653184 MDV= 402527459 LenX= 402527459 LenY= 402466502 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. -1.91344923e+00 3.88953134e-02 -8.06696151e-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 15 15 8 8 8 8 8 8 8 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 -0.029866264 0.086167194 -0.034993490 0.046239136 0.024852651 -0.076559675 -0.034361574 -0.022232529 0.012302840 0.044874514 0.002328826 0.007142535 0.000056456 0.007631097 -0.047804221 0.051967402 -0.127078210 0.037612874 -0.047226256 0.019275677 -0.034702791 0.030884563 0.032540179 -0.003229103 -0.051888907 -0.010136703 0.122424848 -0.003626629 -0.004169731 0.003710501 -0.013878335 -0.006952980 0.002993948 0.002179132 0.002398978 0.007127196 0.001900629 -0.006897908 -0.001597671 0.002923601 -0.000963279 0.007316643 -0.011399423 0.008044811 0.008210354 0.000283071 -0.013581282 -0.003699788 0.004617703 0.004016221 0.016875541 0.007129816 -0.006801984 -0.010577936 -0.006208681 0.004557838 -0.005277211 0.005538187 0.004177212 -0.001977466 -0.002157980 -0.000840983 -0.000474799 -0.000751198 0.000124481 -0.002096058 0.001763390 0.002453781 -0.000811483 -0.005405897 -0.007912479 -0.003572019 -0.001125041 -0.000061393 -0.001090287 -0.000979349 -0.000230735 0.000500399 0.001979636 0.002850654 0.000743057 -0.005189219 0.000180759 0.003310378 -0.000336402 0.002587615 -0.004604278 -0.002286396 -0.001788936 -0.003554811 0.002663298 -0.003547126 -0.004507770 -0.006358892 -0.003389753 0.001257235 -0.005228431 0.004648894 -0.005163250 -0.003816817 -0.001101844 0.004946532 -0.000477765 -0.000435966 -0.004766599 0.000781764 0.004893873 0.003343856 0.003090939 -0.008109168 0.002993099 0.028544319 0.011617341 0.000314316 -0.004848101 0.000884908 0.007934554 0.127078210 0.024719943 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1600.85133130707 -1600.85135925487 -0.000027947804 -1600.85135344139 0.000005813482 -1600.85136061342 -0.000007172032 -1600.85136078293 -0.000000169510 -1600.85136082081 -0.000000037881 -1600.85136082509 -0.000000004279 -1600.85136082547 -0.000000000381 -1600.85136082542 0.000000000055 -1600.85136082544 -0.000000000020 -1600.85136083 10 1.594321224699e+03 -7.896732046614e+03 2.639077054848e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 203128 IEndB= 203128 NGot= 402653184 MDV= 402527459 LenX= 402527459 LenY= 402466502 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 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -76.555193 -76.544066 -18.824446 -18.821355 -18.819166 -18.807958 -18.805053 -18.777875 -18.772098 -9.994753 -9.935344 -9.926301 -9.916817 -9.915965 -9.910276 -9.905965 -9.905760 -9.899045 -9.898664 -6.522697 -6.511734 -4.739280 -4.738997 -4.738561 -4.728617 -4.727820 -4.727496 -1.021499 -0.990313 -0.960956 -0.945623 -0.937526 -0.910762 -0.905538 -0.782588 -0.748849 -0.697733 -0.689398 -0.644556 -0.636518 -0.630638 -0.594238 -0.576589 -0.558313 -0.530671 -0.519896 -0.514988 -0.479216 -0.455055 -0.446778 -0.433028 -0.425849 -0.419284 -0.408467 -0.403513 -0.397143 -0.392596 -0.382767 -0.378628 -0.375609 -0.365630 -0.361650 -0.359719 -0.355915 -0.346855 -0.345411 -0.336727 -0.331880 -0.328143 -0.321741 -0.319822 -0.310300 -0.307892 -0.302148 -0.292989 -0.287692 -0.281842 -0.276057 -0.273452 -0.268191 -0.266465 -0.254168 -0.230619 -0.104880 -0.062715 -0.043720 -0.029760 -0.006642 0.011305 0.032853 0.047057 0.060389 0.066002 0.070230 0.077607 0.078257 0.088583 0.092504 0.102467 0.103815 0.107737 0.114351 0.123008 0.129829 0.132303 0.137911 0.142072 0.144865 0.150317 0.152089 0.163843 0.167685 0.177822 0.180013 0.182476 0.196625 0.198305 0.205893 0.216520 0.220840 0.244779 0.248791 0.249823 0.260028 0.275560 0.282277 0.290828 0.296782 0.318070 0.325200 0.332719 0.338362 0.344146 0.350249 0.361190 0.365021 0.373981 0.376859 0.389726 0.395895 0.412764 0.416827 0.429211 0.439621 0.443083 0.455658 0.457861 0.477811 0.487128 0.497437 0.506228 0.510641 0.512455 0.529162 0.543343 0.557499 0.569625 0.582079 0.586553 0.609050 0.622302 0.630914 0.636995 0.653690 0.669491 0.693050 0.706058 0.711360 0.725518 0.736080 0.747075 0.759568 0.768512 0.795145 0.803909 0.814008 0.845998 0.858780 0.862205 0.866431 0.889482 0.898060 0.925551 0.946284 0.954252 0.974019 0.984868 0.994671 1.002318 1.018837 1.019157 1.043835 1.055542 1.063502 1.071344 1.088854 1.116773 1.121266 1.132782 1.139878 1.156734 1.167276 1.183706 1.237314 1.239968 1.253831 1.262721 1.285604 1.318718 1.347047 1.380103 1.386827 1.455283 1.487516 1.546613 1.561935 1.587520 1.670028 1.846503 4.550718 4.602274 4.634033 4.642088 4.669412 4.716983 6.090268 6.173745 22.399636 22.489399 22.599074 22.612588 22.626594 22.633228 22.637044 22.669013 22.686397 22.726780 41.364944 41.387234 41.425706 41.455514 41.469653 41.502989 41.581667 166.416552 166.519914 106.134000 106.133868 29.117360 29.117540 29.117386 29.117130 29.116950 29.118413 29.118209 15.962472 15.956690 15.958667 15.954657 15.956774 15.956516 15.954827 15.955879 15.955238 15.956695 15.611767 15.611507 14.678657 14.679333 14.676013 14.677263 14.679884 14.675565 2.446826 2.570608 2.740537 2.722074 2.802900 2.885537 2.870050 1.419699 1.553146 1.432444 1.411884 1.437133 1.702720 2.077019 2.091500 1.531873 1.548152 1.779939 2.011919 1.992964 1.290208 1.211802 1.365267 1.738719 1.606876 1.379311 1.594569 1.316031 1.721059 1.837346 1.207300 1.443553 1.391551 2.168865 1.272202 2.028203 1.168810 1.588541 1.535629 1.395115 1.284145 1.337269 2.209248 2.138162 2.284499 2.199881 1.725739 1.991701 1.663978 1.543325 2.234393 2.237488 2.262570 2.227840 2.322607 1.258626 3.451299 3.339524 1.895303 2.557821 2.580960 2.678666 2.716013 2.405167 1.509897 1.404704 1.776078 2.043935 1.469684 1.585264 1.229370 1.870036 1.289799 1.556746 1.423092 1.239030 1.406540 1.256612 1.373349 1.376976 1.213928 1.217948 1.265953 1.199129 1.194838 1.238616 1.419982 1.315927 1.365743 1.227402 1.421199 1.362256 1.401086 1.312343 1.461758 1.665568 1.601469 1.504309 1.711602 1.619235 1.458318 1.773850 1.506736 1.757376 1.707986 2.194899 2.214990 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5PY 5PZ 6PX 6PY 6PZ 8 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 9 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 10 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 11 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 12 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 13 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 14 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 15 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 16 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 17 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 18 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 19 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 20 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 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 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 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 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 0.74227 1.22729 0.95416 1.02747 1.04872 0.21545 1.83045 1.82918 1.82788 0.16499 0.16523 0.16611 0.56648 0.55099 0.53179 0.22823 0.21651 0.27144 0.74226 1.22732 0.95378 1.02807 1.05411 0.19262 1.82933 1.82760 1.83080 0.16543 0.16618 0.16490 0.55087 0.52778 0.57094 0.23285 0.27977 0.19175 1.13241 0.85938 0.93043 0.97197 1.04397 1.15347 1.20726 0.37544 0.45188 0.48172 1.13248 0.85935 0.93144 0.98913 1.14152 0.98562 1.26454 0.51203 0.40191 0.55730 1.13240 0.85941 0.93972 0.96915 1.23060 1.14071 1.05520 0.50832 0.42208 0.40877 1.13277 0.85895 0.97515 1.00645 1.04876 1.04052 1.21248 0.39822 0.40382 0.48858 1.13233 0.85955 0.92720 0.96742 1.04949 1.27819 1.11529 0.33517 0.58782 0.49041 1.13238 0.85947 0.94178 0.95322 1.04650 1.12429 1.26619 0.32950 0.47964 0.52286 1.13276 0.85899 0.97270 1.00715 1.13209 1.17914 0.99303 0.45377 0.48100 0.36177 1.17437 0.81405 0.72227 0.59693 0.86078 0.88414 0.85633 0.04340 0.08491 0.00088 1.17467 0.81381 0.75721 0.47771 0.75367 0.77509 0.90966 0.01411 -0.00787 -0.01102 1.17425 0.81417 0.71733 0.67012 0.90972 0.87683 0.88532 0.16940 0.11429 0.17157 1.17425 0.81414 0.72052 0.66564 0.92599 0.86931 0.87991 0.21559 0.10178 0.13014 1.17425 0.81415 0.72012 0.68029 0.89568 0.90489 0.87917 0.16911 0.16293 0.14433 1.17451 0.81399 0.76046 0.38409 0.73921 0.88336 0.90902 0.12805 -0.10516 -0.15903 1.17419 0.81424 0.72100 0.73044 0.93517 0.88963 0.90636 0.22380 0.17779 0.17862 1.17422 0.81426 0.72512 0.71221 0.92745 0.92700 0.86733 0.21851 0.22829 0.13474 1.17438 0.81397 0.73490 0.62296 0.81548 0.87189 0.92114 0.24970 0.16625 0.17199 1.17420 0.81432 0.72380 0.74511 0.91792 0.88011 0.93474 0.21971 0.16013 0.25501 0.51608 0.26834 0.50832 0.20740 0.51693 0.26228 0.51128 0.25108 0.51351 0.26195 0.51113 0.26143 0.50835 0.27809 0.50622 0.24043 0.50772 0.26469 0.51051 0.23538 0.51028 0.22754 0.50894 0.25774 0.50801 0.28526 0.51274 0.21746 0.50636 0.26258 0.51013 0.25796 0.50573 0.25049 0.44819 0.12332 0.43626 0.14289 0.46223 0.12050 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 P P O O O O O O O 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 1.435359 1.463623 -0.607928 -0.775321 -0.666353 -0.565714 -0.742870 -0.655817 -0.572386 -0.038059 0.342963 -0.502979 -0.497287 -0.544915 0.471500 -0.751251 -0.729119 -0.542653 -0.825041 0.215589 0.284276 0.220788 0.237637 0.224535 0.227434 0.213560 0.253346 0.227586 0.254113 0.262180 0.233324 0.206731 0.269801 0.231060 0.231911 0.243776 0.428485 0.420847 0.417270 0.00000 -2.41580215e+00 -3.06478768e-01 -2.76172101e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -6.1404 -0.7790 -0.7020 6.2292 -129.3879 -132.4005 -133.4637 8.9475 -1.1567 -9.8591 2.3628 -0.6498 -1.7130 8.9475 -1.1567 -9.8591 -35.7847 -81.8469 27.3753 -38.0703 53.3216 10.4581 -14.1776 -15.7035 4.8452 -16.2752 -3284.3534 -2976.1226 -1042.3976 325.0177 118.6307 122.9003 29.5694 189.3210 22.9083 -996.4169 -715.9031 -673.2764 -33.0110 46.3314 56.8245 0 -1600.8513608 6.108E-9 3.679E-5 1.7566796,-0.4831251,-1.2735544,6.6522275,-0.8600143,-7.3300241 C01 [X(C10H20O7P2)] -2.4158021 -0.3064788 -0.2761721 @ 0.000052359 0.000017860 -0.000021836 -0.000069753 0.000089094 0.000043452 -0.000091414 0.000014285 -0.000008549 0.000026900 -0.000101037 0.000082272 -0.000051059 0.000141432 -0.000035892 0.000001933 -0.000030267 0.000000967 -0.000077339 -0.000004127 -0.000146905 0.000060359 -0.000010354 0.000033072 0.000017794 0.000007492 0.000032660 -0.000028111 0.000077653 -0.000012301 0.000021688 -0.000073409 0.000048156 0.000040858 0.000008310 0.000026458 0.000029977 -0.000040937 0.000007007 0.000019642 -0.000013395 0.000025830 -0.000030592 0.000047956 -0.000010207 -0.000019733 0.000010253 -0.000040315 -0.000009941 0.000023823 -0.000001781 -0.000002203 0.000003105 -0.000002801 0.000032524 0.000014313 -0.000009731 0.000019289 -0.000008227 -0.000002779 0.000015945 0.000000112 -0.000013024 -0.000015805 -0.000024872 -0.000005374 -0.000003711 0.000002479 0.000003712 0.000011415 0.000010173 -0.000020311 -0.000008329 -0.000000632 -0.000004739 0.000002447 -0.000007205 -0.000006629 0.000001784 -0.000004802 0.000004692 -0.000010105 -0.000004318 0.000015498 0.000002924 -0.000004413 0.000008164 -0.000010586 -0.000003224 -0.000004662 0.000010263 -0.000004582 -0.000012163 -0.000012466 -0.000018470 0.000000742 0.000006528 0.000009149 -0.000012148 -0.000009591 0.000000998 0.000001177 0.000010332 0.000002721 -0.000003363 0.000001115 0.000001740 0.000012550 0.000040928 -0.000122661 -0.000003431 0.000046481 -0.000013312 0.000041406 -0.000022746 0.000007294 -0.000008875 294.0503219999999 AuxInfo=1/0/N:19,16,17,18,14,13,12,15,10,11,7,8,9,5,6,3,4,2,1/E:(2,3)(11,12)/CRV:4.3,8.3,13.1,15.1,18.4,19.4/rA:39P4P4OOOO1OOO1CCCCCC3CCC3CHHHHHHHHHHHHHHHHHHHH/rB:;s1;s1s2;s1;s1;s2;s2;s2;;s3s10;s10;s10;s12;s14;s11;s11;s13s15;s15;s10;s12;s12;s13;s13;s14;s14;s16;s16;s16;s17;s17;s17;s18;s19;s19;s19;s5;s7;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2070 CBGUSER 000197489 EM64L-G09RevD.01 30-Oct-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 111 C1[X(C10H20O7P2)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 294.0503219999999 0 1 AuxInfo=1/0/N:19,16,17,18,14,13,12,15,10,11,7,8,9,5,6,3,4,2,1/E:(2,3)(11,12)/CRV:4.3,8.3,13.1,15.1,18.4,19.4/rA:39P4P4OOOO1OOO1CCCCCC3CCC3CHHHHHHHHHHHHHHHHHHHH/rB:;s1;s1s2;s1;s1;s2;s2;s2;;s3s10;s10;s10;s12;s14;s11;s11;s13s15;s15;s10;s12;s12;s13;s13;s14;s14;s16;s16;s16;s17;s17;s17;s18;s19;s19;s19;s5;s7;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-9065.inp" -scrdir="/scratch/" chk=000197489-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 000197489 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 31 31 16 16 16 16 16 16 16 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 30.9737634 30.9737634 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 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 (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| 0.000382 0.000105 0.107563 0.026888 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -3.324499e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2062.4823820725 246 560 246 83 83 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 39 39 39 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 0 294.0503219999999 AuxInfo=1/0/N:19,16,17,18,14,13,12,15,10,11,7,8,9,5,6,3,4,2,1/E:(2,3)(11,12)/CRV:4.3,8.3,13.1,15.1,18.4,19.4/rA:39P4P4OOOO1OOO1CCCCCC3CCC3CHHHHHHHHHHHHHHHHHHHH/rB:;s1;s1s2;s1;s1;s2;s2;s2;;s3s10;s10;s10;s12;s14;s11;s11;s13s15;s15;s10;s12;s12;s13;s13;s14;s14;s16;s16;s16;s17;s17;s17;s18;s19;s19;s19;s5;s7;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.097968 0.000000 1.706961 3.085016 0.000000 1.762965 1.743349 2.540216 0.000000 1.717842 3.529182 2.750806 2.693033 0.000000 1.572818 4.450208 2.858525 2.822178 2.768131 0.000000 3.188371 1.729517 3.137229 2.637632 2.785230 4.727370 0.000000 4.210433 1.702839 4.654364 2.583711 4.397393 5.334443 2.728187 0.000000 4.070619 1.576669 3.427294 2.909159 4.781417 5.355560 2.790386 2.770644 0.000000 3.937949 4.576443 2.422806 4.729586 4.220041 5.040393 4.014070 6.239913 4.445071 0.000000 2.918138 4.478989 1.525133 4.057740 3.629101 3.693135 4.236055 6.105808 4.574421 1.569754 0.000000 4.509023 4.199606 2.867135 4.762569 5.042700 5.711518 4.024831 5.861007 3.557050 1.555097 2.569405 0.000000 4.009681 4.473777 2.971011 4.769320 3.631845 5.291829 3.351602 5.958188 4.712673 1.568604 2.591478 2.611610 0.000000 5.660016 4.718871 4.162657 5.694536 5.875460 7.011453 4.292112 6.211813 3.967046 2.595332 3.955955 1.544111 2.972559 0.000000 5.526045 4.372482 4.340726 5.493826 5.322077 7.014689 3.483224 5.679882 4.017501 3.019518 4.377224 2.543517 2.556340 1.519246 0.000000 3.165832 5.459937 2.529769 4.735575 3.479186 3.544257 4.954594 6.946611 5.870034 2.602845 1.541433 3.962358 3.042547 5.185053 5.368751 0.000000 3.784123 5.244953 2.433304 4.742413 4.907196 4.162739 5.413704 6.865724 5.015787 2.593416 1.540057 3.005563 3.975781 4.523327 5.343131 2.530629 0.000000 4.769918 4.211625 3.811039 5.027979 4.265619 6.238215 2.933968 5.522394 4.331082 2.624162 3.829650 2.869033 1.520369 2.492583 1.367929 4.509714 5.090934 0.000000 6.679314 4.945228 5.644419 6.352963 6.363775 8.222191 4.099254 5.920180 4.513963 4.529047 5.850082 3.877846 3.958261 2.594966 1.512791 6.844080 6.776457 2.532466 0.000000 4.863172 5.681618 3.377661 5.791509 5.108882 5.797389 5.080020 7.347939 5.463433 1.110278 2.150894 2.168006 2.182102 2.972992 3.578032 2.820102 2.807130 3.267921 5.054127 0.000000 3.910778 3.222792 2.385122 3.852506 4.621599 5.165366 3.390293 4.879978 2.504342 2.190970 2.694042 1.104405 3.028266 2.159391 2.847102 4.171768 3.109278 3.139048 4.015913 3.066664 0.000000 5.128705 4.989655 3.428105 5.425086 5.884749 6.136031 5.042105 6.648243 4.154633 2.185574 2.897076 1.105408 3.535442 2.168378 3.482404 4.306742 2.754223 3.921677 4.713245 2.386937 1.776238 0.000000 4.833444 5.555698 3.886653 5.772740 4.279088 5.972152 4.325351 6.992355 5.813677 2.196604 3.199536 3.401812 1.109407 3.596569 3.173036 3.242913 4.523647 2.140080 4.475513 2.279845 4.013930 4.175326 0.000000 3.208281 4.106951 2.604668 4.121546 2.575707 4.475909 2.903051 5.481973 4.698559 2.208402 2.564766 3.312640 1.106006 3.879480 3.337087 2.703188 4.092416 2.140796 4.623139 2.951677 3.428785 4.241641 1.753827 0.000000 6.209218 4.805544 4.737882 5.965340 6.567155 7.558853 4.680245 6.180846 3.749491 3.536363 4.725510 2.175871 3.999371 1.106611 2.164110 6.077477 5.081591 3.361677 2.681247 3.946416 2.436916 2.513015 4.688421 4.817233 0.000000 6.476922 5.803196 4.925132 6.691970 6.630917 7.757642 5.265920 7.307209 5.067127 2.929021 4.403807 2.196815 3.339001 1.111773 2.147563 5.489709 4.879290 3.009109 3.066830 2.885937 3.085516 2.474963 3.643986 4.386008 1.773708 0.000000 2.994708 5.716895 2.800243 4.676744 3.571255 2.866193 5.429881 7.096559 6.224478 3.556973 2.189086 4.755737 4.046739 6.089310 6.305864 1.105126 2.740178 5.456924 7.759895 3.825538 4.791987 5.011355 4.312890 3.549079 6.902196 6.465309 0.000000 4.266344 6.434364 3.479423 5.807105 4.512404 4.550435 5.868331 7.971045 6.703881 2.876550 2.171256 4.287403 3.429452 5.428750 5.737862 1.104956 2.791715 4.941232 7.236568 2.646005 4.732299 4.463207 3.325646 3.355150 6.369948 5.513663 1.784753 0.000000 3.122255 5.353527 2.821371 4.694221 2.865221 3.683774 4.547644 6.728317 5.982835 2.865240 2.216895 4.309711 2.690242 5.317826 5.187285 1.102397 3.511141 4.113732 6.590236 3.192896 4.492521 4.876226 2.781684 2.083444 6.272723 5.651876 1.788709 1.787222 0.000000 4.036951 4.874348 2.580836 4.586803 5.297620 4.554317 5.311342 6.482345 4.362599 2.879954 2.190985 2.686482 4.319424 4.187680 5.162612 3.488050 1.100726 5.163375 6.486107 3.242132 2.587283 2.264819 5.024165 4.527437 4.523852 4.654460 3.706882 3.834696 4.362241 0.000000 3.677394 5.591560 2.763092 4.757957 4.973469 3.626893 5.894966 7.098653 5.525056 3.546468 2.183179 4.037336 4.770869 5.572417 6.308626 2.690508 1.103566 5.950917 7.733121 3.786596 3.974068 3.813580 5.301070 4.674681 6.099521 5.974033 2.433609 3.027545 3.718569 1.783902 0.000000 4.789262 6.215619 3.410243 5.813964 5.751619 5.123828 6.247546 7.871541 5.886960 2.826860 2.185232 3.306476 4.280735 4.687470 5.641160 2.870086 1.105987 5.447121 7.092037 2.590008 3.721977 2.827619 4.605479 4.583412 5.292796 4.790623 3.206498 2.686370 3.886725 1.793753 1.792076 0.000000 5.162266 4.533039 4.518179 5.369559 4.308815 6.636519 2.985276 5.588732 4.908007 3.605774 4.665986 3.958233 2.233812 3.498026 2.134604 5.121356 6.032227 1.102023 2.747630 4.215727 4.124834 5.021020 2.583155 2.493239 4.270798 3.957980 6.028284 5.588865 4.515605 6.161372 6.817262 6.422752 0.000000 7.622394 5.982437 6.462590 7.371368 7.339289 9.137614 5.182428 6.985081 5.405746 5.037022 6.476868 4.333718 4.584050 2.850018 2.165698 7.469630 7.298177 3.269254 1.107754 5.357076 4.664238 5.001322 4.924868 5.393745 2.837075 2.947808 8.440511 7.726029 7.269064 6.998201 8.317191 7.468316 3.521977 0.000000 6.869790 5.151193 6.057169 6.542432 6.291282 8.431649 4.049909 5.921203 5.020399 5.086170 6.345204 4.686625 4.197179 3.543122 2.184837 7.169853 7.435467 2.679487 1.103852 5.647064 4.767689 5.616358 4.622940 4.699987 3.753030 3.986018 8.077237 7.606821 6.751553 7.240462 8.338771 7.797968 2.427922 1.791097 0.000000 6.738265 4.569637 5.744917 6.138053 6.598005 8.278665 4.069303 5.403312 3.938698 4.980906 6.157321 4.065646 4.607151 2.896373 2.169169 7.295655 6.954705 3.252568 1.107438 5.619949 3.955768 4.832740 5.291713 5.172167 2.588595 3.570977 8.125281 7.781115 7.119398 6.507467 7.871664 7.367779 3.524762 1.774292 1.793549 0.000000 2.273530 2.982292 2.936860 2.662419 1.011063 3.594010 1.901679 3.809180 4.273181 4.142767 3.900442 4.780048 3.347319 5.387516 4.651716 4.022017 5.244659 3.631302 5.548260 5.105440 4.323443 5.732884 4.086164 2.380946 6.029033 6.198114 4.316603 5.010516 3.378591 5.495385 5.485183 6.078032 3.559924 6.563337 5.402263 5.758638 0.000000 3.710922 2.358262 3.200563 3.403650 3.325189 5.283017 1.021373 3.542657 2.886930 3.417622 4.000154 3.350808 2.678162 3.390167 2.470416 4.822022 5.203960 1.986694 3.171044 4.424971 2.910658 4.425824 3.648958 2.542987 3.852776 4.323909 5.478436 5.604033 4.443534 5.092901 5.853941 5.907948 2.178396 4.228098 3.208091 3.283521 2.481841 0.000000 4.063981 2.290447 4.851590 2.462585 4.257314 4.966386 3.231915 0.993169 3.527639 6.691435 6.351852 6.473305 6.404873 6.971988 6.448589 7.036605 7.101023 6.140190 6.790379 7.799464 5.490922 7.239348 7.408727 5.785397 7.016571 8.055017 7.047215 8.106548 6.797251 6.800470 7.189299 8.151243 6.167514 7.871129 6.747052 6.339733 3.830943 4.167777 0.000000 C10H20O7P2 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 0 294.0503219999999 AuxInfo=1/0/N:19,16,17,18,14,13,12,15,10,11,7,8,9,5,6,3,4,2,1/E:(2,3)(11,12)/CRV:4.3,8.3,13.1,15.1,18.4,19.4/rA:39P4P4OOOO1OOO1CCCCCC3CCC3CHHHHHHHHHHHHHHHHHHHH/rB:;s1;s1s2;s1;s1;s2;s2;s2;;s3s10;s10;s10;s12;s14;s11;s11;s13s15;s15;s10;s12;s12;s13;s13;s14;s14;s16;s16;s16;s17;s17;s17;s18;s19;s19;s19;s5;s7;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3704054 0.3124565 0.2150742 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= 13203 NPrTT= 64718 LenC2= 11942 LenP2D= 36911. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 246 RedAO= T EigKep= 1.60D-03 NBF= 246 NBsUse= 246 1.00D-06 EigRej= -1.00D+00 NBFU= 246 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= 237 237 237 238 238 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 0 1 -1599.92400318483 -1599.22941170252 0.694591482318 -1599.98003606173 -0.750624359213 -1598.90781646251 1.072219599217 -1600.83494151112 -1.927125048606 -1600.84341698228 -0.008475471158 -1600.85067892222 -0.007261939946 -1600.85119088586 -0.000511963641 -1600.85124893464 -0.000058048772 -1600.85127709668 -0.000028162047 -1600.85130453902 -0.000027442335 -1600.85129856694 0.000005972073 -1600.85130615755 -0.000007590602 -1600.85130595586 0.000000201687 -1600.85130623251 -0.000000276653 -1600.85130623795 -0.000000005434 -1600.85130623861 -0.000000000659 -1600.85130623865 -0.000000000041 -1600.85130623869 -0.000000000041 -1600.85130624 19 1.594321556156e+03 -7.896732557661e+03 2.639077313194e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 203536 IEndB= 203536 NGot= 402653184 MDV= 402527051 LenX= 402527051 LenY= 402466094 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= 39. Will process 40 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111 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= 402652544 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= 830000000 NMat= 120 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= 120 NMatS0= 120 NMatT0= 0 NMatD0= 120 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 120 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 117 vectors produced by pass 0 Test12= 1.35D-14 1.00D-09 XBig12= 2.83D+02 5.79D+00. AX will form 117 AO Fock derivatives at one time. 117 vectors produced by pass 1 Test12= 1.35D-14 1.00D-09 XBig12= 1.19D+02 2.24D+00. 117 vectors produced by pass 2 Test12= 1.35D-14 1.00D-09 XBig12= 2.71D-01 9.23D-02. 117 vectors produced by pass 3 Test12= 1.35D-14 1.00D-09 XBig12= 1.12D-04 9.20D-04. 70 vectors produced by pass 4 Test12= 1.35D-14 1.00D-09 XBig12= 1.39D-08 7.04D-06. 9 vectors produced by pass 5 Test12= 1.35D-14 1.00D-09 XBig12= 1.35D-12 1.25D-07. 3 vectors produced by pass 6 Test12= 1.35D-14 1.00D-09 XBig12= 7.18D-16 2.05D-09. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 550 with 120 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 175.90 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 198.693 9.801 181.464 -10.333 0.306 147.532 356.110 19.562 297.138 -46.155 -5.076 301.041 (Enter /mnt/data/applications/G09/g09/l716.exe) PT5309.800S 2017-10-30T14:59:56.000+01:00 -76.55519 -76.54407 -18.82444 -18.82135 -18.81917 -18.80795 -18.80506 -18.77787 -18.77211 -9.99474 -9.93533 -9.92629 -9.91680 -9.91595 -9.91027 -9.90597 -9.90576 -9.89904 -9.89866 -6.52269 -6.51174 -4.73927 -4.73899 -4.73856 -4.72862 -4.72782 -4.72750 -1.02150 -0.99031 -0.96096 -0.94562 -0.93753 -0.91076 -0.90554 -0.78258 -0.74884 -0.69773 -0.68939 -0.64456 -0.63651 -0.63064 -0.59424 -0.57659 -0.55831 -0.53067 -0.51990 -0.51499 -0.47921 -0.45505 -0.44677 -0.43302 -0.42585 -0.41928 -0.40847 -0.40351 -0.39714 -0.39260 -0.38277 -0.37863 -0.37561 -0.36563 -0.36165 -0.35972 -0.35591 -0.34685 -0.34541 -0.33672 -0.33188 -0.32814 -0.32174 -0.31982 -0.31030 -0.30789 -0.30214 -0.29299 -0.28769 -0.28184 -0.27606 -0.27345 -0.26820 -0.26646 -0.25417 -0.23061 -0.10488 -0.06271 -0.04371 -0.02974 -0.00665 0.01131 0.03286 0.04706 0.06040 0.06602 0.07024 0.07761 0.07827 0.08858 0.09251 0.10247 0.10382 0.10775 0.11436 0.12301 0.12983 0.13231 0.13792 0.14208 0.14487 0.15032 0.15209 0.16384 0.16769 0.17782 0.18001 0.18248 0.19663 0.19831 0.20590 0.21652 0.22085 0.24478 0.24881 0.24983 0.26003 0.27557 0.28230 0.29088 0.29680 0.31809 0.32521 0.33272 0.33839 0.34416 0.35025 0.36121 0.36503 0.37400 0.37688 0.38975 0.39590 0.41277 0.41684 0.42922 0.43963 0.44309 0.45567 0.45790 0.47785 0.48715 0.49743 0.50623 0.51066 0.51245 0.52916 0.54335 0.55751 0.56962 0.58208 0.58655 0.60906 0.62231 0.63091 0.63699 0.65369 0.66949 0.69303 0.70607 0.71136 0.72551 0.73608 0.74707 0.75957 0.76851 0.79513 0.80391 0.81401 0.84602 0.85880 0.86220 0.86644 0.88949 0.89805 0.92557 0.94630 0.95426 0.97403 0.98487 0.99469 1.00232 1.01885 1.01914 1.04385 1.05554 1.06351 1.07135 1.08886 1.11677 1.12127 1.13279 1.13989 1.15673 1.16727 1.18371 1.23734 1.23998 1.25383 1.26272 1.28561 1.31873 1.34706 1.38010 1.38682 1.45530 1.48753 1.54662 1.56195 1.58753 1.67004 1.84651 4.55071 4.60228 4.63404 4.64210 4.66942 4.71698 6.09028 6.17375 22.39965 22.48941 22.59908 22.61259 22.62660 22.63323 22.63705 22.66903 22.68640 22.72679 41.36494 41.38724 41.42570 41.45551 41.46965 41.50299 41.58167 166.41656 166.51992 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 P P O O O O O O O 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 1.435432 1.463702 -0.608012 -0.775294 -0.666363 -0.565747 -0.742872 -0.655813 -0.572462 -0.037712 0.343065 -0.503163 -0.497368 -0.544810 0.471375 -0.751275 -0.729200 -0.542527 -0.824995 0.215507 0.284303 0.220795 0.237629 0.224557 0.227419 0.213507 0.253352 0.227596 0.254116 0.262169 0.233307 0.206697 0.269781 0.231050 0.231904 0.243777 0.428473 0.420816 0.417283 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 P P O O O O O O O C C C C C C C C C C 1.435432 1.463702 -0.608012 -0.775294 -0.237891 -0.565747 -0.322056 -0.238530 -0.572462 0.177795 0.343065 0.001935 -0.035182 -0.103884 0.471375 -0.016211 -0.027028 -0.272746 -0.118264 0.00000 2.07599421e+00 -1.11434768e+00 6.73936627e-01 1.98693414e+02 9.80101060e+00 1.81463967e+02 -1.03327211e+01 3.06081996e-01 1.47532305e+02 -9.1512 -2.9817 0.0021 0.0021 0.0023 7.2821 38.4172 51.9643 61.9878 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 38.4135 51.9359 61.9521 69.0847 95.1299 102.4610 123.6274 144.5202 155.3429 170.0369 173.6060 184.9563 190.3753 195.1405 204.7734 223.5312 238.3040 246.9103 252.9400 266.2592 280.3622 304.7508 319.0694 328.6889 335.2877 349.5862 354.1917 382.5753 391.2693 422.4474 425.4852 453.0390 490.0778 504.5394 535.9846 561.7478 596.3137 619.4403 665.5220 674.0528 722.0977 728.5959 731.9583 744.1365 789.8095 791.0093 818.2046 847.9927 881.5975 911.9606 930.1923 934.8562 949.2289 957.5970 992.4898 997.3950 1014.4275 1030.0210 1051.4846 1057.3954 1074.0407 1097.9620 1128.9204 1149.6014 1164.3374 1166.7356 1183.6637 1201.5770 1209.3247 1223.2581 1233.4255 1245.5371 1285.9670 1311.0877 1312.7312 1339.8213 1358.0977 1377.9622 1384.0011 1396.2129 1404.9025 1451.4052 1453.0806 1460.3845 1465.5157 1469.5727 1476.1720 1478.0888 1485.8285 1497.2622 1673.6598 2952.7745 2959.8122 2966.1609 2977.2068 2988.7850 2993.3735 3003.5508 3007.2637 3025.0903 3029.6346 3042.0591 3069.5023 3073.2550 3079.7324 3083.2180 3088.1759 3099.3044 3116.0845 3250.3318 3569.4422 6.2839 3.7822 6.0943 4.8234 7.1207 4.3203 6.2937 3.5643 4.6554 2.0928 1.8703 4.5435 1.3349 2.4865 1.5460 3.0807 1.4652 5.0304 2.0613 1.9912 4.5835 3.2045 3.6937 5.2600 5.4257 3.7813 4.2782 5.9647 4.8764 3.4670 2.7551 3.4746 3.2526 3.0098 6.2557 4.7607 4.5373 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