Gaussian 09 GINC-KIMIK2077 CBGUSER 000278433 EM64L-G09RevD.01 25-Mar-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInputnosymm 244.15809999999988 0 1 AuxInfo=1/0/N:15,14,18,19,10,13,8,16,17,9,7,6,11,12,5,3,4,1,2/E:(3,4)(8,9)(13,14)(16,17)(18,19)/CRV:13.3,14.3,16.1,17.1/rA:47OOO1O1CCCCCCC3C3CCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s6;s7;s6;s1s3s5;s2s4s5;s9;s8;s13;s1;s2;s16;s17;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s17;s17;s18;s18;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-7932.inp" -scrdir="/scratch/" chk=000278433.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 000278433 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 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 2 2 3 4 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 11 16 12 17 11 12 6 7 11 12 8 10 20 9 21 22 14 23 24 13 25 26 27 28 29 15 30 31 32 33 34 35 36 37 18 38 39 19 40 41 42 43 44 45 46 47 1.3759 1.4645 1.3716 1.4662 1.2075 1.2078 1.5684 1.5515 1.5305 1.5322 1.5431 1.5293 1.1214 1.5328 1.1138 1.1089 1.5254 1.1083 1.112 1.5347 1.1112 1.1084 1.0981 1.0956 1.099 1.527 1.1075 1.1079 1.0966 1.0965 1.096 1.0965 1.0962 1.0954 1.514 1.1047 1.1051 1.5134 1.1049 1.1039 1.0971 1.1014 1.0964 1.0996 1.1011 1.0951 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 11 12 6 6 6 7 7 11 5 5 5 8 8 10 5 5 5 9 9 21 6 6 6 14 14 23 7 7 7 13 13 25 6 6 6 27 27 28 1 1 3 2 2 4 9 9 9 15 15 30 8 8 8 32 32 33 13 13 13 35 35 36 1 1 1 18 18 38 2 2 2 19 19 40 16 16 16 42 42 43 17 17 17 45 45 46 1 2 5 5 5 5 5 5 6 6 6 6 6 6 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 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 19 19 19 19 19 19 16 17 7 11 12 11 12 12 8 10 20 10 20 20 9 21 22 21 22 22 14 23 24 23 24 24 13 25 26 25 26 26 27 28 29 28 29 29 3 5 5 4 5 5 15 30 31 30 31 31 32 33 34 33 34 34 35 36 37 36 37 37 18 38 39 38 39 39 19 40 41 40 41 41 42 43 44 43 44 44 45 46 47 46 47 47 117.7255 117.9777 109.8197 111.7669 108.9655 106.2189 109.6458 110.3857 110.7757 111.4624 106.2463 111.0899 109.0302 108.0524 114.0794 108.2993 108.5568 109.1622 110.3046 106.1181 111.9876 110.0886 110.1461 109.8628 109.3547 105.1773 111.0957 109.6153 110.9758 109.7182 109.8471 105.4329 111.2362 111.0854 112.3207 107.3238 107.2467 107.379 121.6892 109.69 128.4408 122.0237 110.1844 127.7293 111.4364 110.0459 109.8951 109.6713 109.6252 106.0216 111.725 110.9678 111.8149 107.3019 107.4106 107.3824 111.536 111.6346 111.2404 107.2502 107.441 107.5098 109.8845 108.5501 100.6732 112.6173 113.379 110.997 109.1433 100.6377 108.6711 113.3587 113.0543 111.1544 111.7811 111.0232 111.4633 107.1644 107.8093 107.3762 111.4765 111.0201 111.8183 106.6019 107.776 107.9148 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 D112 16 16 11 11 11 17 17 12 12 12 7 7 7 11 11 11 12 12 12 6 6 6 11 11 11 12 12 12 6 6 7 7 12 12 6 6 7 7 11 11 5 5 5 10 10 10 20 20 20 5 5 5 8 8 8 20 20 20 5 5 5 21 21 21 22 22 22 6 6 6 23 23 23 24 24 24 7 7 7 25 25 25 26 26 26 9 9 9 30 30 30 31 31 31 1 1 1 38 38 38 39 39 39 2 2 2 40 40 40 41 41 41 1 1 1 1 1 2 2 2 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 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 11 11 16 16 16 12 12 17 17 17 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 12 12 12 12 12 12 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 14 13 13 13 13 13 13 13 13 13 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 3 5 18 38 39 4 5 19 40 41 8 10 20 8 10 20 8 10 20 9 21 22 9 21 22 9 21 22 1 3 1 3 1 3 2 4 2 4 2 4 14 23 24 14 23 24 14 23 24 27 28 29 27 28 29 27 28 29 13 25 26 13 25 26 13 25 26 32 33 34 32 33 34 32 33 34 15 30 31 15 30 31 15 30 31 35 36 37 35 36 37 35 36 37 42 43 44 42 43 44 42 43 44 45 46 47 45 46 47 45 46 47 -2.4383 -177.9493 -77.964 45.591 162.197 8.7903 -173.8818 77.9489 -162.5636 -45.7519 65.7976 -169.9606 -52.4837 -176.5827 -52.3409 65.136 -54.3178 69.924 -172.5992 -176.3081 -54.5408 60.2596 62.6706 -175.5622 -60.7617 -56.6069 65.1603 179.9608 -33.8645 151.0131 85.8959 -89.2264 -155.3121 29.5655 -76.8329 100.3026 162.9443 -19.9202 46.2617 -136.6028 -157.4629 80.0013 -35.5363 78.0831 -44.4527 -159.9903 -40.8873 -163.4231 81.0393 67.1999 -173.3132 -53.0247 -168.7354 -49.2485 71.0399 -49.1797 70.3073 -169.4043 -172.0711 66.5029 -49.549 66.6386 -54.7874 -170.8393 -49.5899 -171.0158 72.9323 -59.1924 -178.8981 61.2339 63.4717 -56.234 -176.102 178.4288 58.7232 -61.1448 -179.0567 59.0578 -57.3333 -57.691 -179.5765 64.0325 57.7706 -64.1149 179.494 60.2253 -59.7405 -179.8347 -177.6726 62.3615 -57.7326 -61.6545 178.3796 58.2855 -53.6111 65.9953 -174.3424 -174.7538 -55.1475 64.5149 58.1615 177.7679 -62.5697 -74.9451 43.7476 164.3312 173.7847 -67.5227 53.0609 46.1208 164.8135 -74.6029 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 254 282 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 47 47 47 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= 14535 NPrTT= 72114 LenC2= 13300 LenP2D= 41641. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 246 RedAO= T EigKep= 1.51D-03 NBF= 246 NBsUse= 246 1.00D-06 EigRej= -1.00D+00 NBFU= 246 Using GEDIIS/GDIIS optimizer. local minimum Step number 15 out of a maximum of 254 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00056 0.00215 0.00295 0.00308 0.00319 0.00389 0.00401 0.00413 0.00542 0.00575 0.00756 0.00821 0.00918 0.01025 0.02039 0.02079 0.03347 0.03508 0.03521 0.03575 0.03602 0.04455 0.04648 0.04777 0.04815 0.04829 0.04853 0.04999 0.05045 0.05100 0.05151 0.05445 0.05465 0.05486 0.05567 0.05570 0.05592 0.05614 0.05633 0.05686 0.05735 0.05832 0.05845 0.06129 0.06474 0.07685 0.08213 0.08339 0.08493 0.08842 0.11578 0.11665 0.11963 0.12183 0.12203 0.12629 0.13737 0.13789 0.14924 0.15883 0.15930 0.15984 0.15995 0.16000 0.16000 0.16000 0.16001 0.16002 0.16005 0.16024 0.16039 0.16058 0.16135 0.16903 0.18375 0.18950 0.19958 0.21660 0.21913 0.22034 0.22168 0.22286 0.22835 0.24959 0.25108 0.25333 0.25852 0.26084 0.27391 0.27890 0.28369 0.28997 0.29168 0.29357 0.29598 0.29829 0.30082 0.30212 0.30971 0.31207 0.31557 0.32309 0.32441 0.32695 0.32740 0.32794 0.32818 0.32850 0.32889 0.33056 0.33122 0.33165 0.33232 0.33303 0.33542 0.33571 0.33729 0.34012 0.34054 0.34067 0.34072 0.34096 0.34100 0.34117 0.34178 0.34207 0.34241 0.34513 0.35677 0.36327 0.37803 0.48832 0.50900 0.82921 1.00711 RFO step: Lambda=-1.39207950D-07. 1 2 3 0.00207305 0.00000336 0.00000000 0.00000280 0.00000006 0.00000006 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 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 D112 2.64403 2.82776 2.62503 2.82981 2.36289 2.36854 3.01016 2.96903 2.91022 2.91875 2.93980 2.92353 2.09573 2.92163 2.08774 2.09139 2.91996 2.09584 2.08968 2.92133 2.09025 2.09590 2.08527 2.08731 2.08336 2.91734 2.09734 2.09525 2.08710 2.08897 2.09124 2.09026 2.09118 2.08922 2.89379 2.08696 2.08215 2.89299 2.08222 2.08699 2.08608 2.08387 2.08998 2.08320 2.08399 2.09012 2.03040 2.03638 1.91788 1.94654 1.92822 1.85928 1.90023 1.90997 1.94444 1.98804 1.82002 1.93998 1.88580 1.87763 2.02100 1.88069 1.87742 1.88465 1.90921 1.88693 1.97959 1.90676 1.91978 1.90741 1.89020 1.85600 1.95068 1.91385 1.92720 1.90460 1.89942 1.86600 1.94442 1.92092 1.94164 1.87235 1.88665 1.89576 2.14277 1.92313 2.21343 2.14478 1.95389 2.18334 1.96565 1.91063 1.90301 1.91202 1.91191 1.85747 1.95585 1.93120 1.93694 1.87534 1.88159 1.87989 1.93471 1.93763 1.94694 1.87726 1.88258 1.88200 1.93716 1.89281 1.80533 1.94070 1.95714 1.92543 1.92514 1.80416 1.89655 1.95804 1.94828 1.92568 1.93730 1.93303 1.91298 1.90365 1.88767 1.88796 1.93315 1.93152 1.91410 1.89510 1.89154 1.89757 -0.02068 -3.07388 -1.47841 0.65833 2.70271 0.12386 -3.06738 1.44340 -2.74331 -0.69757 1.19304 -2.87865 -0.83689 -3.03240 -0.82090 1.22085 -0.90405 1.30745 -2.93398 2.93504 -1.23657 0.79406 0.82393 2.93551 -1.31705 -1.23416 0.87742 2.90804 -0.84216 2.39228 1.25051 -1.79824 -2.98102 0.25343 -1.16592 1.92471 3.00962 -0.18293 0.98383 -2.20872 -2.87716 1.27364 -0.75743 1.16849 -0.96389 -2.99496 -0.88786 -3.02025 1.23186 0.95868 3.03329 -1.14778 -3.11067 -1.03606 1.06605 -1.04938 1.02523 3.12735 3.04514 0.93073 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0.00008 -0.00022 0.00006 0.00002 0.00002 0.00005 -0.00011 -0.00017 0.00015 0.00002 0.00009 0.00003 -0.00006 -0.00004 0.00019 0.00001 -0.00009 0.00000 0.00017 -0.00024 0.00006 0.00004 -0.00001 -0.00003 0.00008 -0.00006 -0.00002 0.00007 -0.00011 0.00004 0.00005 0.00000 0.00007 -0.00003 -0.00004 -0.00006 0.00004 0.00006 -0.00005 0.00002 -0.00006 -0.00001 0.00008 0.00002 -0.00005 0.00000 -0.00002 -0.00003 -0.00006 0.00000 -0.00001 -0.00003 0.00005 0.00006 -0.00006 -0.00001 0.00005 0.00001 0.00000 0.00001 0.00005 -0.00006 0.00008 -0.00003 0.00005 -0.00008 -0.00007 -0.00007 0.00021 -0.00008 -0.00001 0.00002 0.00016 0.00023 -0.00043 -0.00050 -0.00045 0.00005 0.00018 0.00040 0.00037 0.00040 -0.00022 -0.00019 -0.00022 -0.00016 -0.00013 -0.00015 -0.00028 -0.00025 -0.00028 0.00033 0.00024 0.00021 0.00041 0.00032 0.00029 0.00026 0.00017 0.00014 0.00016 0.00023 0.00011 0.00017 0.00034 0.00041 0.00004 0.00018 0.00010 0.00024 -0.00014 -0.00001 -0.00033 -0.00016 -0.00018 -0.00049 -0.00031 -0.00034 -0.00044 -0.00027 -0.00029 0.00007 0.00007 -0.00008 0.00014 0.00015 0.00000 0.00014 0.00015 0.00000 0.00048 0.00054 0.00045 0.00070 0.00076 0.00067 0.00062 0.00068 0.00060 -0.00013 -0.00021 -0.00021 -0.00041 -0.00050 -0.00049 -0.00031 -0.00040 -0.00040 0.00034 0.00034 0.00037 0.00025 0.00026 0.00029 0.00021 0.00021 0.00024 0.00056 0.00050 0.00056 0.00057 0.00051 0.00057 0.00046 0.00040 0.00047 -0.00014 -0.00019 -0.00028 -0.00008 -0.00013 -0.00022 -0.00017 -0.00022 -0.00031 -0.00054 -0.00073 -0.00061 -0.00049 -0.00069 -0.00057 -0.00051 -0.00071 -0.00059 -0.00009 0.00011 -0.00001 0.00008 0.00016 0.00009 0.00013 0.00021 0.00020 0.00022 0.00017 0.00000 -0.00009 0.00001 -0.00009 0.00002 0.00000 -0.00004 -0.00002 0.00001 -0.00002 0.00004 0.00005 0.00007 -0.00001 0.00002 0.00004 0.00004 0.00012 0.00005 0.00005 0.00002 0.00005 0.00005 0.00001 0.00001 -0.00003 0.00010 -0.00005 0.00000 0.00002 0.00006 0.00003 0.00007 0.00004 0.00001 0.00008 0.00003 -0.00001 -0.00017 -0.00009 0.00014 0.00010 0.00005 -0.00011 0.00022 -0.00019 -0.00023 0.00029 0.00004 0.00009 -0.00009 -0.00002 -0.00001 -0.00006 0.00010 -0.00006 -0.00023 0.00013 0.00013 0.00002 0.00002 0.00002 -0.00005 0.00009 0.00001 -0.00015 0.00009 0.00011 -0.00034 0.00008 0.00007 0.00010 -0.00002 0.00004 -0.00005 0.00000 0.00014 -0.00017 0.00002 0.00010 -0.00005 0.00013 -0.00003 -0.00009 -0.00005 0.00013 0.00011 -0.00013 -0.00003 -0.00007 -0.00001 0.00013 -0.00002 -0.00009 0.00003 -0.00001 -0.00004 -0.00008 0.00000 0.00004 -0.00008 0.00006 0.00008 -0.00018 0.00012 0.00003 0.00005 -0.00004 0.00003 0.00008 -0.00006 0.00010 -0.00006 0.00009 -0.00015 -0.00009 -0.00006 0.00030 -0.00017 -0.00001 0.00004 0.00022 0.00040 -0.00072 -0.00087 -0.00076 0.00004 -0.00009 0.00039 0.00043 0.00054 0.00059 0.00037 0.00041 0.00064 0.00042 0.00047 0.00053 0.00030 0.00035 0.00135 0.00132 0.00138 0.00148 0.00145 0.00151 0.00129 0.00127 0.00132 0.00029 0.00047 0.00026 0.00044 0.00048 0.00067 -0.00105 -0.00119 -0.00104 -0.00118 -0.00129 -0.00143 0.00240 0.00244 0.00248 0.00238 0.00242 0.00246 0.00229 0.00233 0.00236 0.00164 0.00158 0.00138 0.00148 0.00142 0.00122 0.00173 0.00166 0.00146 0.00210 0.00212 0.00198 0.00217 0.00219 0.00205 0.00209 0.00211 0.00197 0.00081 0.00068 0.00072 0.00057 0.00045 0.00048 0.00067 0.00055 0.00058 0.00034 0.00036 0.00038 0.00029 0.00030 0.00033 0.00031 0.00033 0.00035 0.00114 0.00103 0.00115 0.00112 0.00101 0.00113 0.00098 0.00087 0.00099 -0.00025 -0.00031 -0.00047 -0.00013 -0.00019 -0.00035 -0.00022 -0.00028 -0.00044 -0.00056 -0.00087 -0.00068 -0.00062 -0.00093 -0.00074 -0.00067 -0.00098 -0.00079 2.64394 2.82787 2.62502 2.82989 2.36305 2.36863 3.01029 2.96924 2.91041 2.91898 2.93997 2.92353 2.09564 2.92164 2.08765 2.09141 2.91995 2.09580 2.08966 2.92134 2.09024 2.09594 2.08532 2.08737 2.08336 2.91736 2.09737 2.09529 2.08721 2.08902 2.09129 2.09029 2.09123 2.08927 2.89380 2.08697 2.08212 2.89309 2.08217 2.08700 2.08611 2.08393 2.09000 2.08327 2.08403 2.09014 2.03048 2.03640 1.91787 1.94637 1.92813 1.85942 1.90034 1.91003 1.94434 1.98826 1.81983 1.93975 1.88608 1.87768 2.02109 1.88060 1.87740 1.88464 1.90915 1.88703 1.97953 1.90653 1.91991 1.90753 1.89021 1.85602 1.95069 1.91380 1.92730 1.90461 1.89927 1.86609 1.94453 1.92057 1.94172 1.87242 1.88675 1.89574 2.14281 1.92308 2.21343 2.14492 1.95372 2.18336 1.96575 1.91057 1.90314 1.91198 1.91182 1.85742 1.95598 1.93131 1.93681 1.87532 1.88151 1.87987 1.93483 1.93761 1.94686 1.87730 1.88256 1.88196 1.93708 1.89281 1.80537 1.94062 1.95720 1.92551 1.92496 1.80428 1.89658 1.95808 1.94825 1.92571 1.93738 1.93297 1.91308 1.90359 1.88776 1.88781 1.93305 1.93146 1.91440 1.89494 1.89153 1.89761 -0.02046 -3.07348 -1.47913 0.65746 2.70195 0.12391 -3.06747 1.44379 -2.74288 -0.69704 1.19363 -2.87828 -0.83648 -3.03176 -0.82048 1.22132 -0.90352 1.30776 -2.93363 2.93639 -1.23524 0.79544 0.82541 2.93697 -1.31553 -1.23287 0.87868 2.90937 -0.84187 2.39276 1.25077 -1.79779 -2.98054 0.25409 -1.16697 1.92353 3.00858 -0.18411 0.98254 -2.21015 -2.87475 1.27608 -0.75495 1.17088 -0.96147 -2.99251 -0.88558 -3.01792 1.23423 0.96033 3.03487 -1.14640 -3.10919 -1.03464 1.06727 -1.04765 1.02690 3.12881 3.04724 0.93285 -1.11904 0.93786 -1.17653 3.05477 -1.11186 3.05694 1.00506 -1.11195 3.07844 0.99253 1.01984 -1.07295 3.12432 3.03488 0.94209 -1.14382 3.11207 0.98049 -1.04502 -1.05141 3.10020 1.07468 0.97901 -1.15256 3.10510 1.03338 -1.05212 3.13166 -3.11902 1.07866 -1.02075 -1.08778 3.10990 1.01049 -0.97790 1.13938 -3.06219 -3.08649 -0.96921 1.11240 1.03166 -3.13424 -1.05263 -1.16368 0.93877 3.03240 3.11832 -1.06242 1.03122 0.94655 3.04900 -1.14054 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000122 0.000017 0.008191 0.002073 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -2.432272e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 2 2 3 4 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 11 16 12 17 11 12 6 7 11 12 8 10 20 9 21 22 14 23 24 13 25 26 27 28 29 15 30 31 32 33 34 35 36 37 18 38 39 19 40 41 42 43 44 45 46 47 1.3992 1.4964 1.3891 1.4975 1.2504 1.2534 1.5929 1.5711 1.54 1.5445 1.5557 1.5471 1.109 1.5461 1.1048 1.1067 1.5452 1.1091 1.1058 1.5459 1.1061 1.1091 1.1035 1.1046 1.1025 1.5438 1.1099 1.1088 1.1044 1.1054 1.1066 1.1061 1.1066 1.1056 1.5313 1.1044 1.1018 1.5309 1.1019 1.1044 1.1039 1.1027 1.106 1.1024 1.1028 1.106 -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 = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 11 12 6 6 6 7 7 11 5 5 5 8 8 10 5 5 5 9 9 21 6 6 6 14 14 23 7 7 7 13 13 25 6 6 6 27 27 28 1 1 3 2 2 4 9 9 9 15 15 30 8 8 8 32 32 33 13 13 13 35 35 36 1 1 1 18 18 38 2 2 2 19 19 40 16 16 16 42 42 43 17 17 17 45 45 46 1 2 5 5 5 5 5 5 6 6 6 6 6 6 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 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 19 19 19 19 19 19 16 17 7 11 12 11 12 12 8 10 20 10 20 20 9 21 22 21 22 22 14 23 24 23 24 24 13 25 26 25 26 26 27 28 29 28 29 29 3 5 5 4 5 5 15 30 31 30 31 31 32 33 34 33 34 34 35 36 37 36 37 37 18 38 39 38 39 39 19 40 41 40 41 41 42 43 44 43 44 44 45 46 47 46 47 47 116.3331 116.6758 109.8865 111.5284 110.4789 106.5291 108.8754 109.4334 111.4085 113.9066 104.2792 111.1524 108.0482 107.5805 115.7949 107.7559 107.5682 107.9824 109.3894 108.1129 113.4221 109.2491 109.9955 109.2864 108.3002 106.3408 111.7656 109.6553 110.4205 109.1257 108.8288 106.9137 111.4068 110.0603 111.2478 107.2776 108.0969 108.6188 122.7718 110.1873 126.8201 122.887 111.9494 125.0964 112.6236 109.4708 109.0344 109.5505 109.5441 106.4252 112.0617 110.6497 110.9787 107.4492 107.8069 107.7096 110.8505 111.0178 111.5516 107.5593 107.8637 107.8307 110.9912 108.4503 103.4379 111.1937 112.1358 110.319 110.3023 103.3707 108.6643 112.1872 111.6284 110.3336 110.9993 110.7547 109.6058 109.0711 108.1557 108.1722 110.7612 110.6681 109.6699 108.5815 108.3772 108.7228 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D111 16 16 11 11 11 17 17 12 12 12 7 7 7 11 11 11 12 12 12 6 6 6 11 11 11 12 12 12 6 6 7 7 12 12 6 6 7 7 11 11 5 5 5 10 10 10 20 20 20 5 5 5 8 8 8 20 20 20 5 5 5 21 21 21 22 22 22 6 6 6 23 23 23 24 24 24 7 7 7 25 25 25 26 26 26 9 9 9 30 30 30 31 31 31 1 1 1 38 38 38 39 39 39 2 2 2 40 40 40 41 41 1 1 1 1 1 2 2 2 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 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 11 11 16 16 16 12 12 17 17 17 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 12 12 12 12 12 12 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 14 13 13 13 13 13 13 13 13 13 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 3 5 18 38 39 4 5 19 40 41 8 10 20 8 10 20 8 10 20 9 21 22 9 21 22 9 21 22 1 3 1 3 1 3 2 4 2 4 2 4 14 23 24 14 23 24 14 23 24 27 28 29 27 28 29 27 28 29 13 25 26 13 25 26 13 25 26 32 33 34 32 33 34 32 33 34 15 30 31 15 30 31 15 30 31 35 36 37 35 36 37 35 36 37 42 43 44 42 43 44 42 43 44 45 46 47 45 46 47 45 46 -1.1847 -176.1204 -84.7069 37.7194 154.854 7.0968 -175.7479 82.7008 -157.1798 -39.968 68.356 -164.9343 -47.9504 -173.744 -47.0343 69.9496 -51.7981 74.9115 -168.1045 168.1655 -70.85 45.4963 47.2079 168.1924 -75.4613 -70.7122 50.2723 166.6186 -48.2522 137.0678 71.6487 -103.0313 -170.7998 14.5202 -66.8022 110.278 172.4387 -10.4811 56.3692 -126.5506 -164.849 72.974 -43.3977 66.9498 -55.2271 -171.5988 -50.8707 -173.0476 70.5806 54.9285 173.7949 -65.7628 -178.2284 -59.362 61.0802 -60.1248 58.7416 179.1839 174.4735 53.3268 -64.2298 53.6109 -67.5358 174.9077 -63.8244 175.029 57.4724 -63.7568 176.3424 56.8269 58.3995 -61.5014 178.9831 173.847 53.9462 -65.5693 178.2891 56.1578 -59.8972 -60.2576 177.6111 61.556 56.0754 -66.056 177.889 59.1428 -60.3414 179.3647 -178.7708 61.7449 -58.549 -62.3816 178.1342 57.8403 -56.0153 65.2993 -175.424 -176.8353 -55.5208 63.756 59.1225 -179.5629 -60.2862 -66.642 53.8373 173.7827 178.7023 -60.8185 59.1269 54.2721 174.7514 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 244.15809999999988 AuxInfo=1/0/N:15,14,18,19,10,13,8,16,17,9,7,6,11,12,5,3,4,1,2/E:(3,4)(8,9)(13,14)(16,17)(18,19)/CRV:13.3,14.3,16.1,17.1/rA:47OOO1O1CCCCCCC3C3CCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s6;s7;s6;s1s3s5;s2s4s5;s9;s8;s13;s1;s2;s16;s17;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s17;s17;s18;s18;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.865357 0.000000 2.257560 2.902296 0.000000 4.756960 2.257647 3.876823 0.000000 2.377933 2.383088 2.469444 2.463956 0.000000 2.701931 3.051829 3.690767 3.369482 1.568441 0.000000 3.084424 3.711479 3.231761 2.867594 1.551488 2.552896 0.000000 4.209683 3.661563 4.962490 3.272897 2.560852 1.543055 3.076446 0.000000 3.886915 4.147747 3.216431 3.067678 2.587867 3.948861 1.532778 4.453990 0.000000 2.969217 2.920445 3.916448 4.113678 2.560057 1.529269 3.910356 2.533360 5.142102 0.000000 1.375919 2.757900 1.207458 3.581440 1.530484 2.565684 2.464943 3.923765 3.002038 2.973198 0.000000 3.675818 1.371613 2.918532 1.207784 1.532170 2.523801 2.520530 2.928123 3.010737 3.099178 2.514678 0.000000 4.933808 5.666975 4.548249 4.354431 3.932218 5.078806 2.529408 5.418006 1.534663 6.412528 4.319915 4.470996 0.000000 5.022537 5.055333 6.216468 4.774822 3.887698 2.543668 4.241589 1.525363 5.711254 3.209706 5.085344 4.439049 6.469619 0.000000 6.036896 6.477433 5.206407 5.145418 5.114208 6.422431 3.888820 6.784257 2.529777 7.660531 5.299025 5.392310 1.526989 7.921594 0.000000 1.464470 4.880896 2.705379 6.008070 3.756384 4.125727 4.363950 5.651680 4.874599 4.110864 2.431609 4.909703 5.795479 6.381095 6.699794 0.000000 5.277812 1.466218 3.980752 2.719195 3.761130 4.417820 4.918802 4.743096 5.093663 4.175630 4.114486 2.432700 6.579574 6.120578 7.172277 6.175376 0.000000 2.438300 4.862165 3.150973 6.474021 4.435932 4.651567 5.408574 6.181403 5.937351 4.120800 3.106353 5.295624 7.043893 6.902509 7.888793 1.514045 5.991835 0.000000 5.711937 2.428064 3.894321 3.206699 4.358904 5.392645 5.264860 5.852635 4.993831 5.324960 4.420074 3.095039 6.410084 7.316391 6.688996 6.415656 1.513395 6.289261 0.000000 2.435398 4.048622 4.016398 4.285681 2.168349 1.121419 2.678640 2.183360 4.148741 2.158500 2.809576 3.466677 5.045058 2.647029 6.471601 3.786813 5.464744 4.533793 6.339583 0.000000 4.005850 4.098439 4.241176 2.774512 2.175467 2.721114 1.113750 2.635861 2.170382 4.194924 3.434978 2.785127 2.822821 3.725352 4.213886 5.362523 5.182581 6.358458 5.669688 2.922582 0.000000 2.793770 4.527137 3.562547 3.952355 2.175242 2.770969 1.108855 3.466954 2.181410 4.124311 2.681993 3.474900 2.702149 4.320774 4.150460 3.970437 5.840724 5.205076 6.207108 2.424305 1.776432 0.000000 4.812609 3.277454 5.210581 2.986697 2.975643 2.187231 3.735220 1.108251 4.924653 2.668259 4.321115 2.777373 6.022917 2.168802 7.270417 6.219051 4.097873 6.545924 5.346972 3.092491 3.301757 4.332998 0.000000 4.552430 3.991039 5.088132 2.942945 2.628889 2.190793 2.592313 1.112017 3.851169 3.472364 4.120157 2.929998 4.636555 2.165092 5.990202 6.015328 4.998380 6.734539 5.918123 2.668508 1.820678 3.093447 1.763549 0.000000 4.612338 3.862189 3.570546 2.401046 2.892303 4.282582 2.174346 4.559392 1.111215 5.388470 3.507436 2.715280 2.177322 5.936748 2.759421 5.645394 4.535583 6.531305 4.336657 4.727427 2.468147 3.094250 4.798638 3.903160 0.000000 3.522481 4.095462 2.467722 3.557884 2.782467 4.264043 2.189626 5.069809 1.108449 5.231585 2.599342 3.245292 2.176908 6.351155 2.760960 4.246973 5.038231 5.267660 4.746904 4.438288 3.097688 2.622431 5.502593 4.653637 1.766072 0.000000 2.372790 3.298927 3.555939 4.767384 2.876598 2.181970 4.216347 3.488882 5.339284 1.098095 2.699747 3.627506 6.600473 4.090313 7.795177 3.241793 4.590595 3.087150 5.560194 2.435396 4.734199 4.260448 3.738012 4.336012 5.719788 5.219910 0.000000 3.822262 3.852409 4.996511 4.915074 3.517949 2.178172 4.722916 2.709244 6.063180 1.095570 4.021711 4.023959 7.247947 2.859499 8.566177 4.885086 4.967826 4.822672 6.237483 2.569881 4.840221 4.842410 2.810936 3.789058 6.313461 6.238331 1.767073 0.000000 3.582939 2.185603 3.904885 3.719728 2.780673 2.196127 4.266621 2.900796 5.303762 1.098972 3.210938 2.747518 6.698354 3.805623 7.823197 4.651556 3.237803 4.459807 4.501239 3.092645 4.527471 4.717476 2.615165 3.774025 5.340224 5.357520 1.768937 1.768407 0.000000 4.676028 6.170459 4.683300 5.124297 4.179642 5.172555 2.771016 5.667328 2.178755 6.500132 4.363613 5.034497 1.107515 6.555252 2.167223 5.400376 7.233698 6.775541 7.131069 4.902083 3.201786 2.480508 6.419871 4.979019 3.097385 2.543484 6.563771 7.292677 6.942463 0.000000 5.541884 6.013939 5.345298 4.395270 4.249713 5.183874 2.755065 5.210833 2.177148 6.623254 4.956108 4.705674 1.107947 6.150171 2.166956 6.556563 6.888646 7.797374 6.861049 5.162161 2.592298 2.972632 5.822536 4.280609 2.540445 3.095131 6.964791 7.353151 6.924967 1.769598 0.000000 5.129839 5.202160 6.448887 5.358104 4.323655 2.808377 4.960077 2.183450 6.447730 2.928129 5.326730 4.860794 7.321515 1.096563 8.767296 6.380570 6.247297 6.695021 7.544726 2.911827 4.610662 4.998698 2.549829 3.092613 6.688028 6.960937 3.757015 2.235331 3.549273 7.362617 7.100906 0.000000 6.061477 5.691746 7.104600 5.129559 4.699559 3.500389 4.919234 2.173988 6.302429 4.153022 6.014749 5.025462 6.966521 1.096546 8.382499 7.445542 6.590315 7.967440 7.812166 3.694509 4.204327 5.091383 2.492453 2.502171 6.404711 7.053317 5.104125 3.753042 4.584958 7.139928 6.495229 1.766376 0.000000 4.908605 5.681044 6.361894 5.325125 4.099864 2.825497 4.170465 2.184170 5.669645 3.693707 5.178761 4.948257 6.228704 1.096041 7.734843 6.206553 6.869405 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3.708383 2.174086 6.495809 2.775150 3.616638 5.775813 4.990031 5.698266 4.223698 3.087390 2.509055 5.717394 4.893910 1.779726 0.000000 2.596621 3.329352 3.375338 4.882833 2.862275 2.203919 4.213606 3.527914 5.258241 1.103477 2.633791 3.660164 6.619773 4.134613 7.768281 3.471102 4.688353 3.215243 5.540763 2.512251 4.839827 4.222864 3.788669 4.369026 5.529617 5.126540 0.000000 3.942246 4.026196 4.919789 5.296000 3.579622 2.187635 4.751006 2.798914 6.104081 1.104556 4.009558 4.252685 7.288066 2.800893 8.627338 5.012433 5.250033 4.835805 6.437851 2.483456 5.046622 4.661877 3.084100 3.839555 6.424657 6.223030 1.778118 0.000000 3.925801 2.392676 3.971529 4.105335 2.943983 2.201154 4.422030 2.829995 5.570824 1.102469 3.383830 3.020379 6.925019 3.568349 8.137001 5.005961 3.502677 4.838581 4.708877 3.090551 4.695948 4.744593 2.573287 3.796982 5.588743 5.747972 1.785744 1.792501 0.000000 4.676630 6.401285 5.277374 5.007676 4.283536 5.185651 2.771095 5.600677 2.182983 6.583782 4.651333 5.113476 1.109862 6.571465 2.182159 5.500611 7.453813 6.963467 7.618650 4.831360 3.008672 2.588041 6.298974 4.858430 3.092367 2.544699 6.665482 7.244545 7.154281 0.000000 5.443555 5.907960 5.460301 4.020207 4.240007 5.274419 2.793741 5.340301 2.176506 6.721147 4.968384 4.541171 1.108759 6.482935 2.181254 6.463334 6.686733 7.809432 6.840682 5.259486 2.498743 3.196067 5.791076 4.446527 2.509945 3.087386 7.001046 7.454706 7.053039 1.776811 0.000000 5.471525 5.010721 6.466157 5.542967 4.425665 2.905403 5.154303 2.211187 6.681500 2.881816 5.436187 4.896989 7.556403 1.104445 9.044897 6.768519 6.024141 6.883641 7.411575 3.139933 4.989654 5.041871 2.536222 3.100028 7.023295 7.113013 3.859253 2.226678 3.220471 7.457451 7.425089 0.000000 6.262226 5.545152 7.145503 5.341754 4.772264 3.546096 5.055560 2.194147 6.554411 4.153829 6.092662 5.082813 7.136027 1.105436 8.658792 7.691704 6.415796 8.093167 7.788542 3.758769 4.533491 5.002930 2.535474 2.470326 6.880768 7.215537 5.181716 3.809145 4.404533 7.045959 6.766176 1.781567 0.000000 5.088957 5.592717 6.469925 5.570092 4.213910 2.836125 4.409999 2.199228 5.939870 3.533582 5.283644 5.049089 6.536931 1.106638 8.066849 6.432854 6.778762 6.887225 8.012163 2.536052 4.208909 4.012968 3.106761 2.551518 6.505203 6.397302 4.336027 3.114510 4.210009 6.238053 6.409367 1.786612 1.786305 0.000000 6.089509 6.560633 5.419303 4.944582 5.356588 6.779543 4.272549 7.210313 2.829041 7.979350 5.476515 5.428147 2.195992 8.540905 1.106120 6.654091 7.109626 8.001273 6.698113 6.859576 4.439668 4.814789 7.499764 6.511658 2.618531 3.120079 7.990664 8.899714 8.192495 3.107259 2.547081 9.348799 8.959291 8.537636 0.000000 5.420145 7.018827 5.244401 5.786287 5.399051 6.717293 4.263759 7.411648 2.841212 7.871347 5.198595 5.925239 2.198478 8.613417 1.106604 5.727912 7.847054 7.183281 7.503237 6.541805 4.751188 4.437813 7.906324 6.805324 3.191124 2.590906 7.705531 8.730965 8.288450 2.546322 3.108029 9.380204 9.177416 8.413395 1.785117 0.000000 6.633807 7.777679 6.547196 6.092005 6.138872 7.343078 4.758770 7.696084 3.535932 8.683463 6.343693 6.525436 2.204424 8.825991 1.105566 7.195437 8.504261 8.668610 8.279721 7.181222 4.855370 4.949326 8.184693 6.881420 3.821195 3.798742 8.719090 9.476302 9.075431 2.533261 2.528152 9.729220 9.196279 8.623494 1.787744 1.787760 0.000000 2.122459 5.227360 2.440793 5.913283 4.040003 4.873260 4.403590 6.354836 4.174705 5.030006 2.583705 5.010176 5.330107 7.355941 5.739381 1.104374 6.421040 2.188011 6.285197 4.684155 5.499857 4.336293 6.813323 6.553624 4.568726 3.213920 4.213541 5.834845 5.549715 5.367553 6.257143 7.546347 8.352227 7.206333 6.039233 5.116882 6.714732 0.000000 2.054144 6.077666 3.749009 6.708076 4.426543 4.760558 4.630244 6.230833 4.781710 4.942069 3.284113 5.751588 5.713865 6.904251 6.357862 1.101826 7.455101 2.197842 7.620004 4.193115 5.696099 4.133261 6.918712 6.464858 5.487775 3.933973 4.135124 5.463778 5.751963 5.402705 6.618962 7.074372 7.941119 6.512294 6.915212 5.763791 7.189323 1.810729 0.000000 6.000731 2.054183 4.577382 3.750967 4.472114 4.794037 5.788746 5.002432 6.342619 4.353174 4.811240 3.284473 7.712359 6.136484 8.559970 6.859955 1.101865 6.729831 2.198136 5.865386 5.866577 6.618543 4.162971 5.543099 5.752356 6.643927 4.682659 5.129621 3.350454 8.371887 7.690096 5.993247 6.589654 7.004681 8.173128 8.829215 9.545071 6.893593 7.853798 0.000000 6.143659 2.126172 4.759076 2.450276 4.097164 4.651428 5.038242 4.509630 5.510357 4.792767 4.850514 2.601550 6.673447 5.811558 7.522251 7.213600 1.104389 7.455670 2.193100 5.722202 4.843961 6.007703 3.638684 4.711231 4.808041 6.071133 5.323874 5.612162 3.974481 7.428855 6.447749 5.975935 6.077049 6.684028 7.068288 7.984816 8.412284 7.168502 8.117957 1.810935 0.000000 2.733223 5.567375 4.000613 6.992763 4.715031 4.534711 5.632281 6.032039 6.205652 3.884702 3.625587 5.793478 7.454252 6.506944 8.294960 2.185210 6.871576 1.103908 7.254017 4.256596 6.577586 5.331593 6.500676 6.671311 6.667934 5.575037 2.825245 4.209306 4.562729 7.304607 8.175341 6.273455 7.609634 6.331848 8.667398 7.856273 9.231688 3.106859 2.551382 6.908523 7.685472 0.000000 2.802430 4.679625 2.845350 6.271805 4.389437 4.693907 5.466560 6.201101 5.759829 4.051670 3.038692 5.101052 7.165786 7.023848 7.825273 2.181238 5.788290 1.102736 5.883693 4.771142 6.430824 5.502997 6.436115 6.791692 5.948927 5.093841 2.999361 4.732592 4.368031 7.275599 7.892205 6.845799 8.077148 7.075594 7.984322 7.382449 8.858882 2.511992 3.110084 5.854924 6.726722 1.797258 0.000000 3.447500 6.348075 4.124376 7.691382 5.603719 5.855351 6.365826 7.406177 6.523502 5.366110 4.199118 6.567579 7.732285 8.077054 8.262073 2.169032 7.517551 1.105969 7.540787 5.619910 7.416326 6.149952 7.828001 7.918488 6.909151 5.666595 4.286581 5.869627 5.901158 7.648840 8.601444 7.934927 9.167245 7.906784 8.580357 7.629661 9.213507 2.548473 2.538558 7.635272 8.422065 1.789591 1.788830 0.000000 5.805481 2.801207 3.762158 2.862922 4.292730 5.497852 4.989996 5.900911 4.754706 5.761312 4.412091 3.009035 5.949988 7.394252 6.336470 6.514453 2.180677 6.908727 1.102379 6.375571 5.140408 6.029844 5.377149 5.927453 3.801102 5.045381 5.870677 6.803951 5.180279 6.868080 5.995984 7.664508 7.858102 8.032824 5.686291 6.611815 7.311847 6.094582 7.474227 3.109910 2.510697 7.483512 6.145320 7.686863 0.000000 5.558890 2.697991 3.420305 3.981176 4.572054 5.556339 5.662853 6.240498 5.604788 5.350217 4.271454 3.551321 7.006761 7.613426 7.448269 6.021481 2.179817 6.031472 1.102799 6.433776 6.042243 6.552573 5.714927 6.558068 4.851896 5.618867 5.234645 6.368748 4.683185 7.787345 7.236954 7.646362 8.230285 8.252526 6.926855 7.512213 8.503235 5.663378 7.087397 2.556769 3.105517 6.604540 5.094180 6.729379 1.790581 0.000000 7.017034 3.440251 4.975763 4.153463 5.550627 6.458151 6.502640 6.752744 6.467211 6.367347 5.656189 4.182766 7.701252 8.117553 8.126113 7.663439 2.169539 7.745927 1.106045 7.449714 6.598058 7.508474 6.010660 6.970350 5.559260 6.731651 6.508186 7.312702 5.541403 8.591613 7.693826 8.193451 8.525088 8.902185 7.454829 8.390834 9.092558 7.323674 8.697894 2.532650 2.565642 8.243080 6.824858 8.493891 1.790917 1.795147 0.000000 0.3090754 0.2779074 0.2519029 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= 239 239 240 240 240 MxSgAt= 47 MxSgA2= 47. 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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= 14535 NPrTT= 72114 LenC2= 13217 LenP2D= 41164. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 246 RedAO= T EigKep= 1.52D-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= 240 240 241 241 241 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 0 1 -887.583304880191 -887.772453527838 -0.189148647647 -887.915402141562 -0.142948613724 -886.899969208851 1.015432932711 -888.037771672339 -1.137802463488 -888.122235281768 -0.084463609429 -888.136323254795 -0.014087973027 -888.136756566335 -0.000433311540 -888.136775610437 -0.000019044101 -888.136781386331 -0.000005775894 -888.137008575810 -0.000227189479 -888.137009816228 -0.000001240418 -888.137009320912 0.000000495316 -888.137010360068 -0.000001039156 -888.137010421509 -0.000000061441 -888.137010422151 -0.000000000642 -888.137010422193 -0.000000000042 -888.137010422213 -0.000000000020 -888.137010422 18 8.846350741954e+02 -5.397059998316e+03 1.962169845873e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 203144 IEndB= 203144 NGot= 402653184 MDV= 402527443 LenX= 402527443 LenY= 402466486 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. 1.17544440e-02 -8.88064152e-01 -1.82519926e-02 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 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.002749454 -0.002639909 -0.018876731 -0.002573607 -0.016852226 0.003400439 -0.000212545 0.020126432 0.066033312 0.006569625 0.066344848 -0.018227219 -0.002957824 0.001634248 -0.002549387 -0.002907254 -0.002152144 -0.001312273 -0.000747607 0.004100547 -0.005034894 -0.001146809 0.007725457 0.000155077 0.000448820 0.003305391 0.001912895 0.005970867 -0.009212793 0.000428219 0.006057079 -0.008858931 -0.051555749 -0.011973378 -0.051779614 0.010206251 0.000151538 0.000083583 -0.000673675 0.003266884 0.000458312 -0.004811401 -0.004100206 0.003774251 0.000005507 -0.009525212 -0.002645242 -0.004266165 0.008980958 -0.006282545 -0.001238921 0.007000570 -0.002761388 0.008093258 -0.006202169 0.006046292 0.007939263 0.005792824 0.005671537 0.002876573 -0.002723960 -0.001078069 0.006094205 0.000624371 -0.000903298 0.001531224 0.000495035 -0.001311290 0.000770066 0.003254523 -0.003986902 -0.002063999 -0.003159920 -0.001523397 -0.002407155 -0.002287807 0.000026638 -0.001425902 -0.000869265 -0.002216050 0.000704833 0.001433891 -0.003241978 -0.005895034 0.000890356 0.001787888 -0.000469377 -0.000530288 -0.001593125 0.000045604 0.000963377 0.000278182 -0.000738045 0.003047976 -0.005172009 0.000145984 0.002832356 0.003072923 -0.004485765 -0.006534137 -0.001020678 -0.001157321 0.004863400 0.003928582 0.000715882 -0.001188569 -0.003880977 0.005237799 -0.005983979 0.003629764 -0.001699947 -0.000684677 -0.002381069 0.001630160 -0.001975767 -0.002824007 0.006774849 0.003674681 0.005820720 0.002605801 0.002256126 0.001010593 0.001732579 0.000741184 -0.002639299 -0.004787526 -0.000719968 0.001778720 0.000950860 -0.004042982 -0.003909984 0.002626473 -0.000163368 0.002321774 -0.002179291 0.000613759 -0.003680298 0.000277094 0.006030555 0.001620540 0.002961570 0.066344848 0.011148955 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -888.154523352842 -888.154542981373 -0.000019628531 -888.154248935376 0.000294045996 -888.154247745962 0.000001189414 -888.154249856247 -0.000002110285 -888.154250637910 -0.000000781663 -888.154250733578 -0.000000095668 -888.154250735759 -0.000000002181 -888.154250735780 -0.000000000021 -888.154250735816 -0.000000000035 -888.154250735840 -0.000000000025 -888.154250736 11 8.836662729357e+02 -5.339526448437e+03 1.934073994640e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 203144 IEndB= 203144 NGot= 402653184 MDV= 402527443 LenX= 402527443 LenY= 402466486 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 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 -18.802990 -18.799058 -18.758419 -18.755514 -10.027083 -10.023905 -9.957236 -9.951823 -9.939091 -9.910101 -9.895003 -9.894372 -9.889754 -9.885605 -9.883518 -9.881394 -9.880287 -9.874108 -9.872599 -1.007499 -1.000653 -0.928129 -0.924206 -0.763239 -0.712275 -0.702222 -0.697310 -0.679213 -0.646767 -0.623365 -0.598983 -0.585760 -0.565413 -0.546072 -0.517855 -0.513673 -0.500935 -0.480984 -0.461783 -0.429226 -0.420246 -0.418620 -0.414005 -0.407127 -0.401619 -0.397211 -0.385973 -0.381322 -0.374529 -0.367211 -0.362563 -0.351082 -0.349106 -0.347826 -0.342704 -0.335776 -0.329509 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8.836662729357D+02 PT8934.500S 2018-03-25T12:57:16.000+02:00 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 O O O O C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H -0.268649 -0.273442 -0.196463 -0.206453 0.099845 -0.018041 -0.459582 -0.394974 -0.387812 -0.799068 0.175433 0.193124 -0.365862 -0.728751 -0.715990 -0.259552 -0.267022 -0.686520 -0.687001 0.219996 0.216548 0.214728 0.210385 0.210008 0.235044 0.221597 0.242776 0.207357 0.258608 0.192021 0.198632 0.215377 0.222535 0.215288 0.218136 0.215266 0.216631 0.226113 0.219080 0.215002 0.229318 0.225368 0.260863 0.222745 0.248405 0.249896 0.219057 0.00000 -10.02391 -9.95724 -9.95182 -9.93909 -9.91010 -9.89500 -9.89437 -9.88975 -9.88560 -9.88352 -9.88139 -9.88029 -9.87411 -9.87260 -1.00750 -1.00065 -0.92813 -0.92421 -0.76324 -0.71228 -0.70222 -0.69731 -0.67921 -0.64677 -0.62337 -0.59898 -0.58576 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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|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V -18.80299 -18.79906 -18.75842 -18.75551 -10.02708 -10.02391 -9.95724 -9.95182 -9.93909 -9.91010 -9.89500 -9.89437 -9.88975 -9.88560 -9.88352 -9.88139 -9.88029 -9.87411 -9.87260 -1.00750 -1.00065 -0.92813 -0.92421 -0.76324 -0.71228 -0.70222 -0.69731 -0.67921 -0.64677 -0.62337 -0.59898 -0.58576 -0.56541 -0.54607 -0.51786 -0.51367 -0.50093 -0.48098 -0.46178 -0.42923 -0.42025 -0.41862 -0.41401 -0.40713 -0.40162 -0.39721 -0.38597 -0.38132 -0.37453 -0.36721 -0.36256 -0.35108 -0.34911 -0.34783 -0.34270 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0.51227 0.27791 0.50873 0.24834 0.51436 0.29568 0.51388 0.28327 0.51258 0.26930 0.51084 0.27037 0.51049 0.27919 0.51075 0.27337 0.51104 0.28057 0.51157 0.27405 0.51043 0.25635 0.51611 0.26238 0.51638 0.26584 0.51061 0.25702 0.50871 0.26655 0.50808 0.23829 0.50707 0.27516 0.50863 0.24230 0.50745 0.25251 0.50741 0.28298 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 O O O O C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H -0.274226 -0.268037 -0.220368 -0.238898 0.128007 -0.026972 -0.449757 -0.386560 -0.371047 -0.770752 0.165892 0.185224 -0.361280 -0.721472 -0.702669 -0.262791 -0.266975 -0.668255 -0.659120 0.212818 0.223289 0.212334 0.207572 0.218268 0.232245 0.194660 0.237673 0.209817 0.242933 0.189958 0.202857 0.218118 0.218781 0.210313 0.215872 0.208397 0.214378 0.233225 0.221510 0.217785 0.232376 0.224743 0.253631 0.217778 0.249071 0.240044 0.209609 0.00000 -3.84077472e-02 -8.84955778e-01 -1.55292261e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.0976 -2.2493 -0.3947 2.2858 -106.6054 -116.1637 -117.2076 4.6653 1.5305 -0.8562 6.7202 -2.8381 -3.8821 4.6653 1.5305 -0.8562 28.1520 -19.1690 26.2070 -19.4872 4.4923 31.1955 7.8436 7.9994 28.0915 16.5068 -2882.1753 -2671.0285 -2231.3634 227.0258 155.3558 185.4893 -80.7386 115.7257 -47.4290 -923.6658 -834.1113 -792.5730 -17.8499 20.4109 80.8458 0 -888.1542507 3.388E-9 2.73E-5 4.9962778,-2.1100597,-2.8862181,3.4685648,1.1379226,-0.6365591 C01 [X(C15H28O4)] -0.0384077 -0.8849558 -0.1552923 @ 0.000052183 0.000034370 -0.000014166 -0.000052544 -0.000026824 0.000012429 0.000017180 0.000030840 0.000117105 -0.000006913 0.000067290 -0.000013945 -0.000037211 0.000022525 -0.000075517 -0.000017148 -0.000099688 -0.000000971 -0.000007741 0.000041901 -0.000062178 0.000034702 0.000031736 -0.000014770 0.000013557 0.000013378 -0.000017272 0.000018452 0.000025237 0.000015835 -0.000029948 -0.000102556 -0.000081388 0.000061767 0.000004960 0.000046738 0.000007755 -0.000009603 0.000018063 0.000006859 0.000027447 0.000020750 0.000025029 0.000009740 -0.000013132 -0.000050200 -0.000010332 0.000000269 0.000039283 -0.000032954 -0.000022906 -0.000042324 0.000001276 -0.000022761 0.000043441 -0.000002338 0.000009474 0.000008624 0.000004133 0.000040480 0.000002392 -0.000018470 0.000031307 -0.000011496 0.000003000 0.000005434 -0.000003087 -0.000016640 0.000013285 0.000010842 -0.000011482 -0.000003586 0.000001204 0.000012956 -0.000013084 -0.000012768 -0.000004098 -0.000000357 -0.000009981 -0.000017331 0.000018942 -0.000009761 -0.000003521 -0.000015549 -0.000001037 -0.000015244 0.000006908 -0.000000525 0.000001992 -0.000018697 0.000005457 0.000013540 -0.000012599 0.000021373 -0.000027532 -0.000004691 0.000013249 -0.000003530 -0.000011684 -0.000009791 -0.000013200 0.000000045 0.000001245 0.000019356 -0.000005877 -0.000006603 -0.000003905 -0.000001027 -0.000010066 0.000011670 -0.000022505 -0.000001286 0.000001847 0.000006200 0.000001414 0.000008648 0.000003288 -0.000005720 0.000015523 0.000007570 -0.000002816 0.000000346 0.000008535 0.000002224 -0.000000439 -0.000002952 0.000003623 0.000004730 0.000015614 -0.000002238 0.000001925 0.000020164 -0.000024276 0.000011302 0.000001761 -0.000025743 -0.000006714 0.000008448 -0.000010633 0.000004737 0.000022971 244.15809999999988 AuxInfo=1/0/N:15,14,18,19,10,13,8,16,17,9,7,6,11,12,5,3,4,1,2/E:(3,4)(8,9)(13,14)(16,17)(18,19)/CRV:13.3,14.3,16.1,17.1/rA:47OOO1O1CCCCCCC3C3CCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s6;s7;s6;s1s3s5;s2s4s5;s9;s8;s13;s1;s2;s16;s17;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s17;s17;s18;s18;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2077 CBGUSER 000278433 EM64L-G09RevD.01 25-Mar-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 135 C1[X(C15H28O4)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 244.15809999999988 0 1 AuxInfo=1/0/N:15,14,18,19,10,13,8,16,17,9,7,6,11,12,5,3,4,1,2/E:(3,4)(8,9)(13,14)(16,17)(18,19)/CRV:13.3,14.3,16.1,17.1/rA:47OOO1O1CCCCCCC3C3CCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s6;s7;s6;s1s3s5;s2s4s5;s9;s8;s13;s1;s2;s16;s17;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s17;s17;s18;s18;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-8864.inp" -scrdir="/scratch/" chk=000278433-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 000278433 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 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (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| 0.000352 0.000098 0.077643 0.025294 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -3.464507e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1633.6319296088 246 568 246 75 75 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 47 47 47 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 244.15809999999988 AuxInfo=1/0/N:15,14,18,19,10,13,8,16,17,9,7,6,11,12,5,3,4,1,2/E:(3,4)(8,9)(13,14)(16,17)(18,19)/CRV:13.3,14.3,16.1,17.1/rA:47OOO1O1CCCCCCC3C3CCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s6;s7;s6;s1s3s5;s2s4s5;s9;s8;s13;s1;s2;s16;s17;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s17;s17;s18;s18;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.123338 0.000000 2.327034 2.920928 0.000000 4.768175 2.321925 3.788691 0.000000 2.411734 2.432933 2.498639 2.486496 0.000000 2.850848 3.040085 3.691732 3.507916 1.592905 0.000000 2.974538 3.779309 3.382055 2.820569 1.571146 2.590070 0.000000 4.350550 3.558875 4.972831 3.470518 2.601254 1.555676 3.156909 0.000000 3.499928 4.410295 3.329923 3.222002 2.640616 4.002933 1.546062 4.645842 0.000000 3.195391 3.025450 3.863842 4.389039 2.632126 1.547068 3.975543 2.559393 5.221652 0.000000 1.399158 2.886706 1.250387 3.556608 1.540021 2.590253 2.493377 3.963005 2.918655 3.007800 0.000000 3.749314 1.389107 2.856395 1.253381 1.544538 2.577690 2.534606 2.982505 3.202645 3.263031 2.517945 0.000000 4.747903 5.827413 4.842494 4.261928 3.995245 5.143167 2.559813 5.525613 1.545904 6.510890 4.400611 4.527887 0.000000 5.251122 4.918802 6.266640 4.992376 3.979765 2.592049 4.420750 1.545175 5.959915 3.151650 5.176147 4.505556 6.689842 0.000000 5.696598 6.783716 5.459380 5.240564 5.209592 6.511405 3.942494 6.988012 2.570836 7.779532 5.320093 5.581757 1.543790 8.206516 0.000000 1.496387 5.158321 2.755153 5.993384 3.806135 4.291377 4.293388 5.819720 4.440157 4.338093 2.460545 4.975910 5.604790 6.649921 6.256967 0.000000 5.557675 1.497474 4.007532 2.760690 3.824768 4.442621 4.983515 4.655566 5.406260 4.349080 4.257694 2.457595 6.731122 5.970829 7.532425 6.484754 0.000000 2.495167 5.352427 3.316989 6.704193 4.563077 4.760127 5.422417 6.309104 5.736068 4.280860 3.223526 5.551100 7.016120 7.008886 7.695055 1.531328 6.593324 0.000000 5.919060 2.485348 3.902177 3.328084 4.488633 5.465919 5.472310 5.889438 5.469647 5.440137 4.552593 3.191232 6.776255 7.297467 7.277719 6.599224 1.530904 6.754118 0.000000 2.566753 4.054997 4.070405 4.335675 2.153760 1.109011 2.641044 2.172341 4.051781 2.158651 2.839749 3.476322 5.022655 2.748228 6.418131 3.970024 5.496849 4.577988 6.420538 0.000000 4.002659 4.003792 4.274436 2.542107 2.178929 2.884231 1.104782 2.863198 2.159976 4.366791 3.439828 2.659802 2.725584 4.118437 4.185075 5.372972 5.031569 6.439636 5.654332 3.071136 0.000000 2.757989 4.588531 3.893050 3.880845 2.177846 2.670081 1.106716 3.338834 2.179731 4.060563 2.828795 3.468840 2.830634 4.296127 4.246850 4.044423 5.905381 5.244046 6.454106 2.249921 1.790421 0.000000 4.937531 3.057291 5.098331 3.135650 2.941094 2.188103 3.734165 1.109074 5.080567 2.757383 4.288684 2.743782 6.051519 2.179370 7.434894 6.363558 3.893646 6.722622 5.255161 3.087054 3.366470 4.165957 0.000000 4.630513 3.991296 5.205281 3.203883 2.714050 2.195322 2.704955 1.105812 4.136211 3.512615 4.204395 3.063442 4.776405 2.164121 6.266808 6.126721 5.007072 6.843871 6.109679 2.578682 2.090990 2.936811 1.772843 0.000000 4.072052 3.991786 3.225681 2.628185 2.845239 4.359332 2.182713 4.902760 1.106114 5.454731 3.144426 2.844591 2.175732 6.347326 2.811767 4.965565 4.739339 6.119256 4.624615 4.662246 2.541007 3.092775 5.101345 4.426563 0.000000 2.984020 4.703187 2.882235 3.993241 2.941119 4.297146 2.194764 5.237341 1.109103 5.321934 2.620184 3.708383 2.174085 6.495809 2.775149 3.616638 5.775814 4.990031 5.698266 4.223697 3.087389 2.509054 5.717394 4.893910 1.779727 0.000000 2.596621 3.329352 3.375338 4.882833 2.862275 2.203919 4.213606 3.527914 5.258241 1.103476 2.633791 3.660164 6.619773 4.134614 7.768281 3.471102 4.688354 3.215243 5.540764 2.512251 4.839826 4.222864 3.788670 4.369026 5.529617 5.126541 0.000000 3.942246 4.026196 4.919789 5.296000 3.579621 2.187635 4.751006 2.798914 6.104082 1.104556 4.009558 4.252685 7.288066 2.800893 8.627337 5.012433 5.250033 4.835805 6.437851 2.483457 5.046622 4.661877 3.084100 3.839555 6.424657 6.223030 1.778119 0.000000 3.925800 2.392676 3.971528 4.105335 2.943982 2.201154 4.422030 2.829995 5.570824 1.102469 3.383830 3.020379 6.925018 3.568348 8.137000 5.005961 3.502677 4.838581 4.708876 3.090551 4.695947 4.744592 2.573286 3.796981 5.588743 5.747972 1.785744 1.792501 0.000000 4.676630 6.401285 5.277374 5.007676 4.283536 5.185651 2.771094 5.600677 2.182984 6.583783 4.651333 5.113476 1.109862 6.571465 2.182159 5.500611 7.453812 6.963467 7.618650 4.831359 3.008671 2.588041 6.298973 4.858430 3.092367 2.544699 6.665482 7.244545 7.154281 0.000000 5.443556 5.907960 5.460301 4.020207 4.240008 5.274419 2.793741 5.340301 2.176506 6.721148 4.968384 4.541171 1.108759 6.482936 2.181254 6.463334 6.686733 7.809432 6.840682 5.259486 2.498743 3.196067 5.791077 4.446527 2.509946 3.087386 7.001047 7.454707 7.053039 1.776811 0.000000 5.471524 5.010720 6.466156 5.542966 4.425664 2.905402 5.154303 2.211187 6.681500 2.881816 5.436187 4.896989 7.556403 1.104444 9.044896 6.768519 6.024141 6.883641 7.411575 3.139933 4.989654 5.041871 2.536222 3.100028 7.023295 7.113012 3.859253 2.226678 3.220471 7.457450 7.425089 0.000000 6.262226 5.545152 7.145502 5.341753 4.772263 3.546095 5.055560 2.194147 6.554411 4.153829 6.092662 5.082814 7.136027 1.105436 8.658791 7.691704 6.415796 8.093167 7.788541 3.758769 4.533492 5.002930 2.535474 2.470327 6.880768 7.215536 5.181716 3.809144 4.404532 7.045958 6.766176 1.781567 0.000000 5.088956 5.592717 6.469925 5.570093 4.213910 2.836125 4.410000 2.199229 5.939871 3.533582 5.283644 5.049090 6.536931 1.106639 8.066849 6.432855 6.778762 6.887225 8.012163 2.536052 4.208909 4.012968 3.106762 2.551518 6.505204 6.397302 4.336027 3.114510 4.210008 6.238053 6.409368 1.786611 1.786305 0.000000 6.089509 6.560633 5.419304 4.944582 5.356588 6.779542 4.272549 7.210313 2.829041 7.979350 5.476515 5.428147 2.195992 8.540906 1.106120 6.654091 7.109625 8.001273 6.698112 6.859575 4.439668 4.814788 7.499764 6.511658 2.618531 3.120079 7.990664 8.899714 8.192494 3.107260 2.547081 9.348799 8.959291 8.537636 0.000000 5.420145 7.018827 5.244402 5.786288 5.399052 6.717292 4.263758 7.411647 2.841212 7.871347 5.198595 5.925239 2.198477 8.613417 1.106604 5.727912 7.847054 7.183280 7.503237 6.541804 4.751187 4.437812 7.906324 6.805324 3.191124 2.590906 7.705530 8.730965 8.288450 2.546322 3.108029 9.380203 9.177416 8.413395 1.785117 0.000000 6.633807 7.777679 6.547197 6.092005 6.138873 7.343078 4.758770 7.696084 3.535932 8.683463 6.343693 6.525436 2.204424 8.825991 1.105566 7.195438 8.504261 8.668611 8.279721 7.181222 4.855370 4.949326 8.184693 6.881420 3.821195 3.798742 8.719090 9.476302 9.075431 2.533261 2.528152 9.729220 9.196279 8.623495 1.787744 1.787760 0.000000 2.122459 5.227360 2.440794 5.913283 4.040003 4.873260 4.403590 6.354835 4.174705 5.030006 2.583705 5.010175 5.330107 7.355942 5.739380 1.104374 6.421040 2.188011 6.285197 4.684154 5.499857 4.336293 6.813323 6.553624 4.568726 3.213920 4.213541 5.834845 5.549714 5.367554 6.257144 7.546346 8.352226 7.206333 6.039233 5.116882 6.714732 0.000000 2.054145 6.077666 3.749010 6.708077 4.426544 4.760558 4.630244 6.230833 4.781710 4.942069 3.284114 5.751588 5.713865 6.904251 6.357861 1.101826 7.455101 2.197843 7.620005 4.193114 5.696099 4.133261 6.918712 6.464858 5.487775 3.933973 4.135124 5.463778 5.751963 5.402705 6.618963 7.074372 7.941119 6.512294 6.915212 5.763790 7.189323 1.810730 0.000000 6.000730 2.054183 4.577381 3.750967 4.472114 4.794038 5.788746 5.002432 6.342619 4.353174 4.811239 3.284473 7.712359 6.136484 8.559969 6.859955 1.101866 6.729830 2.198136 5.865386 5.866577 6.618543 4.162970 5.543099 5.752356 6.643927 4.682659 5.129621 3.350455 8.371887 7.690096 5.993247 6.589654 7.004681 8.173128 8.829215 9.545071 6.893593 7.853798 0.000000 6.143659 2.126171 4.759076 2.450276 4.097164 4.651428 5.038242 4.509630 5.510356 4.792767 4.850514 2.601550 6.673447 5.811558 7.522250 7.213600 1.104389 7.455670 2.193100 5.722202 4.843961 6.007703 3.638683 4.711231 4.808041 6.071134 5.323874 5.612162 3.974480 7.428855 6.447749 5.975934 6.077049 6.684028 7.068288 7.984816 8.412285 7.168501 8.117957 1.810935 0.000000 2.733223 5.567375 4.000612 6.992764 4.715032 4.534712 5.632281 6.032039 6.205653 3.884703 3.625588 5.793479 7.454252 6.506945 8.294960 2.185210 6.871576 1.103908 7.254017 4.256596 6.577586 5.331593 6.500677 6.671311 6.667934 5.575037 2.825246 4.209307 4.562730 7.304607 8.175342 6.273456 7.609634 6.331848 8.667398 7.856273 9.231689 3.106859 2.551382 6.908523 7.685472 0.000000 2.802430 4.679625 2.845350 6.271805 4.389437 4.693907 5.466560 6.201101 5.759829 4.051669 3.038692 5.101051 7.165785 7.023849 7.825272 2.181237 5.788290 1.102736 5.883694 4.771142 6.430823 5.502996 6.436115 6.791692 5.948927 5.093841 2.999361 4.732593 4.368031 7.275599 7.892205 6.845799 8.077148 7.075594 7.984322 7.382449 8.858882 2.511991 3.110085 5.854923 6.726722 1.797258 0.000000 3.447501 6.348076 4.124376 7.691383 5.603719 5.855352 6.365826 7.406177 6.523503 5.366110 4.199118 6.567579 7.732285 8.077054 8.262073 2.169032 7.517552 1.105969 7.540788 5.619911 7.416326 6.149952 7.828002 7.918489 6.909151 5.666595 4.286582 5.869628 5.901158 7.648840 8.601444 7.934928 9.167245 7.906784 8.580357 7.629661 9.213507 2.548473 2.538559 7.635272 8.422065 1.789591 1.788830 0.000000 5.805481 2.801207 3.762158 2.862922 4.292730 5.497852 4.989996 5.900911 4.754705 5.761312 4.412091 3.009035 5.949988 7.394252 6.336469 6.514453 2.180677 6.908727 1.102379 6.375570 5.140408 6.029844 5.377148 5.927452 3.801102 5.045381 5.870677 6.803952 5.180279 6.868079 5.995984 7.664507 7.858101 8.032824 5.686291 6.611815 7.311847 6.094582 7.474227 3.109910 2.510697 7.483512 6.145320 7.686863 0.000000 5.558890 2.697992 3.420305 3.981176 4.572055 5.556339 5.662853 6.240498 5.604788 5.350217 4.271454 3.551321 7.006762 7.613427 7.448268 6.021481 2.179817 6.031473 1.102799 6.433776 6.042243 6.552574 5.714927 6.558068 4.851896 5.618868 5.234646 6.368749 4.683185 7.787345 7.236954 7.646362 8.230285 8.252526 6.926855 7.512214 8.503235 5.663379 7.087398 2.556769 3.105517 6.604541 5.094180 6.729380 1.790581 0.000000 7.017034 3.440251 4.975763 4.153463 5.550627 6.458152 6.502640 6.752744 6.467211 6.367347 5.656189 4.182766 7.701252 8.117553 8.126113 7.663440 2.169539 7.745927 1.106045 7.449714 6.598058 7.508475 6.010659 6.970350 5.559260 6.731651 6.508187 7.312702 5.541403 8.591613 7.693827 8.193450 8.525087 8.902185 7.454829 8.390834 9.092559 7.323674 8.697894 2.532650 2.565642 8.243080 6.824859 8.493892 1.790918 1.795147 0.000000 C15H28O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 244.15809999999988 AuxInfo=1/0/N:15,14,18,19,10,13,8,16,17,9,7,6,11,12,5,3,4,1,2/E:(3,4)(8,9)(13,14)(16,17)(18,19)/CRV:13.3,14.3,16.1,17.1/rA:47OOO1O1CCCCCCC3C3CCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s6;s7;s6;s1s3s5;s2s4s5;s9;s8;s13;s1;s2;s16;s17;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s17;s17;s18;s18;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3090754 0.2779074 0.2519029 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= 14535 NPrTT= 72114 LenC2= 13217 LenP2D= 41164. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 246 RedAO= T EigKep= 1.52D-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= 241 241 241 241 241 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 0 1 -887.605159643252 -887.779949460550 -0.174789817298 -887.863243271371 -0.083293810822 -887.103491732176 0.759751539195 -888.099200291993 -0.995708559817 -888.151231306734 -0.052031014741 -888.153638782596 -0.002407475862 -888.153880439635 -0.000241657039 -888.153918380605 -0.000037940970 -888.153928640391 -0.000010259786 -888.154243372838 -0.000314732447 -888.154244920284 -0.000001547446 -888.154244624571 0.000000295712 -888.154244968437 -0.000000343866 -888.154244988973 -0.000000020536 -888.154244989246 -0.000000000273 -888.154244989357 -0.000000000111 -888.154244989383 -0.000000000025 -888.154244989 18 8.836663600370e+02 -5.339526735080e+03 1.934074200445e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 203560 IEndB= 203560 NGot= 402653184 MDV= 402527027 LenX= 402527027 LenY= 402466070 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= 47. Will process 48 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 402652464 using IRadAn= 2. Generate precomputed XC quadrature information. Solving linear equations simultaneously, MaxMat= 0. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 810000000 NMat= 144 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= 144 NMatS0= 144 NMatT0= 0 NMatD0= 144 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 144 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 141 vectors produced by pass 0 Test12= 1.28D-14 1.00D-09 XBig12= 1.76D+02 3.13D+00. AX will form 141 AO Fock derivatives at one time. 141 vectors produced by pass 1 Test12= 1.28D-14 1.00D-09 XBig12= 8.66D+01 2.34D+00. 141 vectors produced by pass 2 Test12= 1.28D-14 1.00D-09 XBig12= 1.27D-01 2.82D-02. 141 vectors produced by pass 3 Test12= 1.28D-14 1.00D-09 XBig12= 4.13D-05 3.79D-04. 60 vectors produced by pass 4 Test12= 1.28D-14 1.00D-09 XBig12= 2.83D-09 4.13D-06. 3 vectors produced by pass 5 Test12= 1.28D-14 1.00D-09 XBig12= 2.28D-13 3.64D-08. 1 vectors produced by pass 6 Test12= 1.28D-14 1.00D-09 XBig12= 1.93D-16 1.27D-09. InvSVY: IOpt=1 It= 1 EMax= 3.73D-14 Solved reduced A of dimension 628 with 144 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 175.48 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 176.949 1.502 176.541 -0.291 0.611 172.952 259.313 9.632 292.993 -10.956 7.259 287.027 (Enter /mnt/data/applications/G09/g09/l716.exe) PT7040.300S 2018-03-25T13:27:42.000+02:00 -18.80299 -18.79904 -18.75843 -18.75551 -10.02710 -10.02389 -9.95724 -9.95182 -9.93910 -9.91010 -9.89500 -9.89436 -9.88975 -9.88561 -9.88351 -9.88139 -9.88027 -9.87411 -9.87260 -1.00750 -1.00065 -0.92813 -0.92420 -0.76324 -0.71227 -0.70222 -0.69731 -0.67921 -0.64677 -0.62336 -0.59899 -0.58576 -0.56541 -0.54607 -0.51785 -0.51367 -0.50093 -0.48098 -0.46179 -0.42923 -0.42025 -0.41862 -0.41400 -0.40712 -0.40162 -0.39721 -0.38597 -0.38132 -0.37453 -0.36720 -0.36256 -0.35108 -0.34910 -0.34782 -0.34271 -0.33578 -0.32951 -0.32840 -0.32420 -0.31870 -0.31723 -0.30940 -0.30166 -0.29917 -0.29105 -0.28647 -0.28148 -0.27669 -0.27224 -0.27011 -0.26320 -0.25578 -0.24786 -0.22303 -0.22232 -0.04543 -0.04520 0.04959 0.05502 0.07882 0.08491 0.08880 0.09678 0.09798 0.10561 0.11026 0.11422 0.11605 0.12071 0.12989 0.13543 0.13992 0.14177 0.14597 0.15529 0.15741 0.15919 0.16394 0.16547 0.16663 0.17351 0.17541 0.17865 0.17970 0.18660 0.18972 0.19102 0.19374 0.20004 0.20115 0.20225 0.20540 0.21468 0.21554 0.22040 0.22688 0.23033 0.23208 0.23807 0.25292 0.25943 0.26293 0.26767 0.27006 0.27669 0.27988 0.28153 0.28390 0.28975 0.29706 0.30424 0.31344 0.31584 0.31734 0.32372 0.33308 0.33373 0.34404 0.34812 0.36579 0.36915 0.37932 0.38694 0.39041 0.40585 0.41881 0.42035 0.43227 0.43502 0.45310 0.45616 0.46754 0.47262 0.48435 0.48851 0.49952 0.50640 0.51773 0.52657 0.53641 0.56430 0.56753 0.57976 0.59210 0.60462 0.62738 0.67446 0.68921 0.73117 0.75023 0.77915 0.78040 0.79208 0.82229 0.84168 0.84942 0.86271 0.87142 0.87488 0.89377 0.90369 0.91395 0.92331 0.93352 0.94417 0.95774 0.97326 0.98250 0.99783 1.02104 1.03750 1.04552 1.04913 1.05902 1.07023 1.08053 1.08283 1.08851 1.09030 1.09540 1.10292 1.10835 1.11983 1.12458 1.12589 1.13629 1.14100 1.15555 1.18400 1.19200 1.20234 1.22709 1.24794 1.26468 1.27098 1.30220 1.32249 1.34848 1.36059 1.38299 1.41215 1.47874 1.52214 1.74409 1.76363 1.81175 1.84443 22.40312 22.48947 22.50373 22.51481 22.55887 22.57631 22.60992 22.61829 22.62371 22.63940 22.66983 22.68851 22.69364 22.69949 22.74186 41.53533 41.54085 41.59298 41.60009 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 O O O O C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H -0.274178 -0.268025 -0.220379 -0.238955 0.127335 -0.026662 -0.449534 -0.386427 -0.370662 -0.770574 0.165799 0.185643 -0.361373 -0.721588 -0.702631 -0.262926 -0.267138 -0.668220 -0.659264 0.212718 0.223250 0.212297 0.207547 0.218261 0.232105 0.194591 0.237625 0.209764 0.242892 0.189958 0.202870 0.218128 0.218796 0.210324 0.215864 0.208373 0.214374 0.233233 0.221574 0.217838 0.232421 0.224736 0.253618 0.217762 0.249100 0.240094 0.209646 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 O O O O C C C C C C C C C C C C C C C -0.274178 -0.268025 -0.220379 -0.238955 0.127335 0.186056 -0.013987 0.039381 0.056034 -0.080293 0.165799 0.185643 0.031455 -0.074340 -0.064019 0.191881 0.183121 0.027896 0.039575 0.00000 3.93301457e-01 7.95021854e-01 1.48848560e-01 1.76948661e+02 1.50183408e+00 1.76540916e+02 -2.90808727e-01 6.10583959e-01 1.72951902e+02 -10.2609 -4.0444 -0.0009 -0.0008 -0.0004 8.6949 26.5665 32.0370 40.6480 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 26.2159 31.9201 40.6267 45.6115 51.4069 56.0139 63.8251 71.0353 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