Gaussian 09 GINC-KIMIK2025 CBGUSER 000251232 EM64L-G09RevD.01 9-Feb-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 200.14859999999993 0 1 AuxInfo=1/0/N:16,12,14,15,13,9,11,7,4,5,10,3,6,8,1,2/E:(3,4)/rA:46OOCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s4;s1s5;s3;s2s6;s3;s8;s7;s9;s11;s10;s10;s13;s3;s4;s4;s5;s5;s6;s7;s7;s8;s9;s9;s10;s11;s11;s12;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;s1;s2;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-19571.inp" -scrdir="/scratch/" chk=000251232.chk nprocshared=4 mem=7GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000251232 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 16 16 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 1 1 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 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 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 1 1 2 2 3 3 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 6 42 8 43 4 7 9 17 5 18 19 6 20 21 8 22 11 23 24 10 25 12 26 27 14 15 28 13 29 30 31 32 33 16 34 35 36 37 38 39 40 41 44 45 46 1.4497 0.9766 1.4327 0.9918 1.5444 1.5438 1.5438 1.1198 1.5304 1.1075 1.1086 1.5311 1.1109 1.1122 1.5509 1.1101 1.5341 1.1069 1.1087 1.552 1.1126 1.5266 1.1084 1.1072 1.531 1.5311 1.1176 1.5354 1.1076 1.1066 1.0963 1.0956 1.096 1.5272 1.1082 1.1073 1.095 1.1011 1.0936 1.0962 1.0948 1.0969 1.0959 1.0958 1.0956 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 6 8 4 4 4 7 7 9 3 3 3 5 5 18 4 4 4 6 6 20 1 1 1 5 5 8 3 3 3 11 11 23 2 2 2 6 6 10 3 3 3 12 12 26 8 8 8 14 14 15 7 7 7 13 13 29 9 9 9 31 31 32 11 11 11 16 16 34 10 10 10 36 36 37 10 10 10 39 39 40 13 13 13 44 44 45 1 2 3 3 3 3 3 3 4 4 4 4 4 4 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 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 42 43 7 9 17 9 17 17 5 18 19 18 19 19 6 20 21 20 21 21 5 8 22 8 22 22 11 23 24 23 24 24 6 10 25 10 25 25 12 26 27 26 27 27 14 15 28 15 28 28 13 29 30 29 30 30 31 32 33 32 33 33 16 34 35 34 35 35 36 37 38 37 38 38 39 40 41 40 41 41 44 45 46 45 46 46 110.328 109.6715 111.6221 112.4749 107.013 109.7666 108.0962 107.6576 113.6618 108.8895 108.4737 109.7352 109.7718 106.0175 111.965 110.5837 110.4705 108.6241 109.8144 105.1464 103.9223 106.9777 108.7211 112.6077 112.179 111.9109 112.3059 109.7125 109.7134 109.3838 109.8446 105.6645 108.6033 108.92 103.2205 112.9124 111.4921 111.1828 112.8291 109.1888 110.0298 109.1589 109.8077 105.563 109.3851 110.9435 108.293 110.8739 108.1979 109.0676 111.4314 109.9042 110.0153 109.6176 109.8252 105.8968 111.6151 111.7117 111.0286 107.5325 107.2904 107.4352 111.7234 109.7621 109.9337 109.6785 109.7291 105.8444 112.0281 110.328 111.6463 106.8657 107.7677 107.9939 111.7263 112.2836 110.8101 107.6842 106.7915 107.2714 111.562 111.1259 111.6596 107.3463 107.469 107.4524 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 42 42 42 43 43 43 7 7 7 9 9 9 17 17 17 4 4 4 9 9 9 17 17 17 4 4 4 7 7 7 17 17 17 3 3 3 18 18 18 19 19 19 4 4 4 20 20 20 21 21 21 1 1 1 5 5 5 22 22 22 3 3 3 23 23 23 24 24 24 2 2 2 6 6 6 25 25 25 3 3 3 26 26 26 27 27 27 8 8 8 15 15 15 28 28 28 8 8 8 14 14 14 28 28 28 7 7 7 29 29 29 30 30 30 11 11 11 34 34 34 35 35 35 1 1 1 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 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 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 13 13 13 13 13 13 13 13 13 6 6 6 8 8 8 4 4 4 4 4 4 4 4 4 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 13 13 13 13 13 13 13 13 13 16 16 16 16 16 16 16 16 16 5 8 22 6 10 25 5 18 19 5 18 19 5 18 19 11 23 24 11 23 24 11 23 24 12 26 27 12 26 27 12 26 27 6 20 21 6 20 21 6 20 21 1 8 22 1 8 22 1 8 22 2 10 25 2 10 25 2 10 25 13 29 30 13 29 30 13 29 30 14 15 28 14 15 28 14 15 28 31 32 33 31 32 33 31 32 33 36 37 38 36 37 38 36 37 38 39 40 41 39 40 41 39 40 41 16 34 35 16 34 35 16 34 35 44 45 46 44 45 46 44 45 46 -164.6314 76.0422 -44.984 -38.2166 85.1247 -156.6522 -64.8478 172.4969 57.5488 59.047 -63.6083 -178.5564 177.0726 54.4173 -60.5308 -70.7944 167.331 51.6696 163.797 41.9224 -73.739 46.6339 -75.2406 169.0979 64.5681 -173.8624 -58.4428 -170.5136 -48.9441 66.4755 -53.0764 68.493 -176.0873 171.9585 -66.7561 49.2273 -65.8528 55.4326 171.4159 50.2812 171.5665 -72.4501 154.9735 -89.6159 37.7054 32.5644 147.9751 -84.7037 -81.9236 33.4871 160.8084 47.2345 -73.6763 160.3058 -66.3215 172.7678 46.7498 166.2152 45.3045 -80.7135 179.4075 57.6906 -58.5363 -58.531 179.7522 63.5253 57.0177 -64.6991 179.0739 54.1328 176.7563 -63.5781 174.8632 -62.5133 57.1523 -58.9532 63.6703 -176.6641 -63.5423 56.8919 176.799 174.8713 -64.6944 55.2126 59.5922 -179.9735 -60.0665 69.372 -49.5523 -169.6483 -53.293 -172.2173 67.6867 -172.8574 68.2183 -51.8778 -58.6248 62.4855 -177.5805 63.1318 -175.758 -55.824 -177.8263 -56.716 63.218 179.3095 -58.7991 57.2344 -58.8076 63.0838 179.1173 57.1434 179.0349 -64.9317 60.3034 -179.9369 -59.9769 -61.6362 58.1235 178.0835 -177.504 -57.7444 62.2157 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 264 276 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 12246 NPrTT= 59766 LenC2= 11077 LenP2D= 34850. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 220 RedAO= T EigKep= 1.55D-03 NBF= 220 NBsUse= 220 1.00D-06 EigRej= -1.00D+00 NBFU= 220 Using GEDIIS/GDIIS optimizer. local minimum Step number 12 out of a maximum of 264 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00131 0.00218 0.00265 0.00300 0.00301 0.00330 0.00344 0.00358 0.00389 0.00407 0.00413 0.00507 0.00545 0.01031 0.01540 0.03184 0.03279 0.03322 0.03384 0.03476 0.03495 0.03553 0.03672 0.03888 0.04433 0.04573 0.04700 0.04740 0.04760 0.04786 0.04812 0.04850 0.04975 0.04977 0.05155 0.05223 0.05335 0.05467 0.05478 0.05499 0.05543 0.05565 0.05582 0.05623 0.05661 0.07583 0.07839 0.08364 0.08382 0.08445 0.08667 0.08695 0.08834 0.12229 0.12246 0.12280 0.12409 0.12473 0.12677 0.14603 0.15928 0.15970 0.15987 0.16000 0.16000 0.16001 0.16001 0.16003 0.16006 0.16014 0.16043 0.16093 0.16239 0.16737 0.16875 0.17190 0.17574 0.17839 0.18017 0.20216 0.20701 0.21883 0.21927 0.22225 0.22943 0.23381 0.24091 0.27168 0.28017 0.28387 0.28584 0.28841 0.28990 0.29237 0.29480 0.29709 0.29870 0.30142 0.30211 0.31435 0.31631 0.31899 0.32335 0.32433 0.32550 0.32772 0.32778 0.32815 0.32829 0.32849 0.32882 0.32895 0.32942 0.33024 0.33130 0.33537 0.33670 0.33978 0.34056 0.34121 0.34141 0.34149 0.34166 0.34174 0.34203 0.34284 0.34390 0.34532 0.36564 0.39485 0.49409 0.52056 RFO step: Lambda=-7.77923667D-08. 1 2 0.00113069 0.00000058 0.00000034 0.00000002 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 2.82313 1.87378 2.78633 1.88449 2.94143 2.93936 2.93829 2.10454 2.92179 2.09633 2.09207 2.90307 2.09023 2.08892 2.93634 2.09565 2.92151 2.09867 2.09725 2.94363 2.09086 2.91881 2.09630 2.09547 2.92236 2.92807 2.10437 2.92201 2.09509 2.09957 2.08913 2.09172 2.08951 2.91776 2.09617 2.09684 2.09299 2.08376 2.08928 2.09261 2.08941 2.08879 2.09031 2.08959 2.09151 1.90447 1.83656 1.97109 1.97474 1.85374 1.91924 1.86914 1.86866 2.00088 1.90116 1.88628 1.90676 1.91430 1.84826 1.97253 1.92516 1.92770 1.87260 1.88899 1.87329 1.84383 1.88166 1.91622 1.98438 1.91187 1.92344 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0.00010 0.00000 -0.00025 -0.00025 -0.00015 -0.00008 -0.00008 0.00002 -0.00002 -0.00003 0.00007 -0.00004 0.00004 -0.00003 -0.00004 0.00003 -0.00003 0.00001 0.00009 0.00002 -0.00051 -0.00043 -0.00056 -0.00055 -0.00047 -0.00060 -0.00056 -0.00048 -0.00061 -0.00028 -0.00031 -0.00017 -0.00026 -0.00029 -0.00015 -0.00039 -0.00041 -0.00027 0.00029 0.00028 0.00016 0.00028 0.00028 0.00015 0.00014 0.00013 0.00001 0.00002 0.00016 0.00006 0.00005 0.00018 0.00009 -0.00010 0.00003 -0.00006 0.00087 0.00084 0.00076 0.00085 0.00081 0.00074 0.00088 0.00085 0.00077 -0.00003 -0.00001 -0.00002 -0.00005 -0.00002 -0.00004 -0.00011 -0.00008 -0.00010 -0.00006 0.00002 -0.00003 0.00006 0.00014 0.00009 -0.00001 0.00007 0.00002 0.00003 0.00002 -0.00001 0.00003 0.00003 -0.00001 0.00014 0.00013 0.00010 0.00026 0.00023 0.00023 0.00015 0.00012 0.00012 0.00013 0.00010 0.00010 -0.00006 -0.00010 -0.00010 0.00001 -0.00003 -0.00002 -0.00002 -0.00006 -0.00006 0.00001 -0.00002 0.00013 -0.00004 -0.00004 0.00013 -0.00007 0.00000 0.00004 0.00002 -0.00003 0.00005 -0.00002 0.00002 -0.00008 -0.00001 0.00005 -0.00003 0.00006 -0.00005 0.00000 -0.00003 0.00001 0.00002 -0.00001 -0.00002 -0.00001 -0.00002 0.00000 0.00001 0.00003 0.00002 0.00002 -0.00002 0.00001 0.00001 0.00000 0.00003 0.00001 0.00003 0.00003 0.00001 0.00002 0.00003 0.00002 -0.00004 0.00003 0.00018 -0.00017 0.00003 -0.00009 0.00015 -0.00009 -0.00001 0.00002 0.00003 -0.00001 -0.00004 0.00000 0.00004 -0.00002 -0.00010 0.00008 0.00008 -0.00007 0.00000 -0.00012 -0.00008 0.00007 0.00010 0.00002 0.00018 -0.00010 0.00002 -0.00008 0.00000 -0.00004 -0.00005 0.00002 0.00007 -0.00004 -0.00007 0.00008 -0.00007 0.00001 -0.00008 0.00013 0.00001 0.00002 0.00007 -0.00014 -0.00003 0.00003 0.00012 -0.00003 -0.00001 -0.00002 0.00009 -0.00006 -0.00003 0.00004 -0.00001 0.00002 -0.00003 -0.00001 0.00002 0.00001 0.00001 -0.00005 0.00002 0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00001 -0.00007 0.00004 0.00005 0.00003 -0.00004 -0.00001 0.00003 0.00000 -0.00001 -0.00001 -0.00002 0.00001 0.00001 0.00003 0.00000 0.00027 0.00026 0.00035 0.00032 0.00024 0.00039 0.00128 0.00128 0.00125 0.00116 0.00116 0.00113 0.00098 0.00098 0.00095 -0.00070 -0.00064 -0.00055 -0.00054 -0.00047 -0.00039 -0.00047 -0.00040 -0.00032 -0.00035 -0.00023 -0.00025 -0.00032 -0.00020 -0.00022 -0.00024 -0.00012 -0.00013 -0.00026 -0.00016 -0.00032 -0.00024 -0.00014 -0.00030 -0.00026 -0.00016 -0.00032 -0.00023 -0.00034 -0.00018 -0.00027 -0.00038 -0.00023 -0.00027 -0.00038 -0.00022 0.00029 0.00033 0.00031 0.00033 0.00037 0.00035 0.00013 0.00017 0.00015 0.00041 0.00052 0.00043 0.00034 0.00045 0.00036 0.00026 0.00036 0.00027 0.00074 0.00072 0.00058 0.00065 0.00064 0.00049 0.00060 0.00058 0.00044 0.00014 0.00013 0.00014 0.00008 0.00007 0.00008 -0.00001 -0.00002 -0.00002 0.00005 0.00014 0.00008 0.00017 0.00026 0.00020 0.00012 0.00021 0.00015 -0.00021 -0.00017 -0.00022 -0.00020 -0.00017 -0.00021 -0.00006 -0.00003 -0.00007 0.00025 0.00023 0.00023 0.00017 0.00015 0.00015 0.00017 0.00014 0.00014 -0.00006 -0.00007 -0.00008 -0.00001 -0.00002 -0.00003 -0.00003 -0.00004 -0.00006 2.82315 1.87375 2.78646 1.88445 2.94138 2.93949 2.93822 2.10453 2.92184 2.09635 2.09204 2.90313 2.09021 2.08894 2.93626 2.09564 2.92155 2.09864 2.09730 2.94357 2.09086 2.91878 2.09632 2.09549 2.92235 2.92805 2.10437 2.92199 2.09508 2.09958 2.08916 2.09174 2.08953 2.91774 2.09618 2.09685 2.09299 2.08379 2.08929 2.09263 2.08944 2.08880 2.09033 2.08962 2.09153 1.90444 1.83660 1.97127 1.97457 1.85377 1.91915 1.86929 1.86857 2.00087 1.90118 1.88631 1.90675 1.91427 1.84826 1.97257 1.92513 1.92761 1.87267 1.88907 1.87322 1.84383 1.88154 1.91614 1.98445 1.91197 1.92346 2.01153 1.88287 1.91416 1.89709 1.90394 1.84704 1.88412 1.93157 1.83657 2.00226 1.91217 1.89000 2.00210 1.88492 1.91094 1.90008 1.91138 1.84797 1.91419 1.95831 1.88263 1.92898 1.87919 1.89819 1.96876 1.92103 1.91093 1.89400 1.90455 1.86137 1.95221 1.93715 1.93732 1.87960 1.87403 1.88039 1.96990 1.90274 1.90738 1.91070 1.91427 1.85529 1.92708 1.92762 1.93816 1.88508 1.88219 1.90227 1.93151 1.97414 1.92329 1.88101 1.87567 1.87454 1.93386 1.94743 1.93699 1.88271 1.87899 1.88121 -2.88860 1.26713 -0.82850 -0.70543 1.49902 -2.74626 -1.08096 3.06010 1.05964 1.11345 -1.02868 -3.02914 -3.12488 1.01617 -0.98429 -0.93195 -3.05494 1.22434 3.12733 1.00434 -0.99956 1.10280 -1.02019 -3.02409 1.03807 -3.12302 -1.11859 -3.02305 -0.90096 1.10347 -0.99807 1.12402 3.12845 3.08824 -1.09868 0.96914 -1.05582 1.04045 3.10827 0.96282 3.05909 -1.15628 2.96247 -1.26096 0.89959 0.83643 2.89619 -1.22645 -1.18000 0.87976 3.04030 0.94711 -1.21526 2.93829 -1.09078 3.03004 0.90040 3.03811 0.87574 -1.25389 -2.98073 1.18437 -0.85636 -0.86544 -2.98352 1.25893 1.14077 -0.97731 -3.01805 0.98129 3.13214 -1.06069 3.11822 -1.01412 1.07624 -1.02334 1.12751 -3.06532 -1.14335 0.95636 3.04709 3.02604 -1.15743 0.93329 1.01308 3.11279 -1.07967 1.18878 -0.89499 -3.00749 -0.97926 -3.06302 1.10766 -3.05028 1.14915 -0.96336 -0.95944 1.15318 -3.03158 1.18307 -2.98749 -0.88907 -3.04070 -0.92807 1.17035 -3.11286 -0.98571 1.03528 -0.97951 1.14764 -3.11455 1.04235 -3.11369 -1.09269 1.04259 3.14078 -1.04399 -1.08007 1.01812 3.11653 -3.10942 -1.01123 1.08718 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000053 0.000012 0.004960 0.001131 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.434384e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 1 1 2 2 3 3 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 6 42 8 43 4 7 9 17 5 18 19 6 20 21 8 22 11 23 24 10 25 12 26 27 14 15 28 13 29 30 31 32 33 16 34 35 36 37 38 39 40 41 44 45 46 1.4939 0.9916 1.4745 0.9972 1.5565 1.5554 1.5549 1.1137 1.5461 1.1093 1.1071 1.5362 1.1061 1.1054 1.5538 1.109 1.546 1.1106 1.1098 1.5577 1.1064 1.5446 1.1093 1.1089 1.5464 1.5495 1.1136 1.5463 1.1087 1.111 1.1055 1.1069 1.1057 1.544 1.1092 1.1096 1.1076 1.1027 1.1056 1.1074 1.1057 1.1053 1.1061 1.1058 1.1068 -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 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 6 8 4 4 4 7 7 9 3 3 3 5 5 18 4 4 4 6 6 20 1 1 1 5 5 8 3 3 3 11 11 23 2 2 2 6 6 10 3 3 3 12 12 26 8 8 8 14 14 15 7 7 7 13 13 29 9 9 9 31 31 32 11 11 11 16 16 34 10 10 10 36 36 37 10 10 10 39 39 40 13 13 13 44 44 45 1 2 3 3 3 3 3 3 4 4 4 4 4 4 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 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 42 43 7 9 17 9 17 17 5 18 19 18 19 19 6 20 21 20 21 21 5 8 22 8 22 22 11 23 24 23 24 24 6 10 25 10 25 25 12 26 27 26 27 27 14 15 28 15 28 28 13 29 30 29 30 30 31 32 33 32 33 33 16 34 35 34 35 35 36 37 38 37 38 38 39 40 41 40 41 41 44 45 46 45 46 46 109.1183 105.2273 112.935 113.1442 106.2116 109.9646 107.0936 107.0665 114.642 108.9285 108.0757 109.2492 109.6815 105.8973 113.0179 110.3034 110.4494 107.2919 108.2311 107.3314 105.6438 107.8113 109.7914 113.6968 109.5421 110.2048 115.2418 107.8861 109.6722 108.6999 109.0876 105.8296 107.9553 110.6695 105.2234 114.7237 109.563 108.2847 114.716 107.9974 109.4935 108.8594 109.5133 105.8796 109.6708 112.2113 107.8681 110.5211 107.6631 108.7602 112.8026 110.0684 109.483 108.5219 109.1244 106.6463 111.8539 110.9893 111.0022 107.6938 107.3729 107.7374 112.8664 109.0216 109.284 109.4747 109.6794 106.2999 110.4144 110.4441 111.0493 108.0114 107.8394 108.9888 110.6657 113.1123 110.1972 107.7723 107.4683 107.4039 110.8031 111.5808 110.9809 107.8707 107.6565 107.7853 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 42 42 42 43 43 43 7 7 7 9 9 9 17 17 17 4 4 4 9 9 9 17 17 17 4 4 4 7 7 7 17 17 17 3 3 3 18 18 18 19 19 19 4 4 4 20 20 20 21 21 21 1 1 1 5 5 5 22 22 22 3 3 3 23 23 23 24 24 24 2 2 2 6 6 6 25 25 25 3 3 3 26 26 26 27 27 27 8 8 8 15 15 15 28 28 28 8 8 8 14 14 14 28 28 28 7 7 7 29 29 29 30 30 30 11 11 11 34 34 34 35 35 1 1 1 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 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 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 13 13 13 13 13 13 13 13 6 6 6 8 8 8 4 4 4 4 4 4 4 4 4 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 13 13 13 13 13 13 13 13 13 16 16 16 16 16 16 16 16 5 8 22 6 10 25 5 18 19 5 18 19 5 18 19 11 23 24 11 23 24 11 23 24 12 26 27 12 26 27 12 26 27 6 20 21 6 20 21 6 20 21 1 8 22 1 8 22 1 8 22 2 10 25 2 10 25 2 10 25 13 29 30 13 29 30 13 29 30 14 15 28 14 15 28 14 15 28 31 32 33 31 32 33 31 32 33 36 37 38 36 37 38 36 37 38 39 40 41 39 40 41 39 40 41 16 34 35 16 34 35 16 34 35 44 45 46 44 45 46 44 45 -165.5205 72.5863 -47.49 -40.4367 85.8734 -157.3713 -62.0076 175.2573 60.6414 63.7294 -59.0057 -173.6216 -179.0986 58.1663 -56.4496 -53.357 -174.9988 70.181 179.2135 57.5717 -57.2485 63.2124 -58.4294 -173.2496 59.4974 -178.9228 -64.0763 -173.1896 -51.6098 63.2367 -57.1714 64.4084 179.2549 176.9581 -62.9406 55.546 -60.4801 59.6212 178.1078 55.1806 175.2819 -66.2314 169.7503 -72.2281 51.5529 47.9397 165.9613 -70.2577 -67.5932 50.4284 174.2094 54.2486 -69.6485 168.3337 -62.5158 173.5871 51.5693 174.0637 50.1666 -71.8512 -170.807 67.8298 -49.0903 -49.6056 -170.9687 72.1111 65.3466 -56.0166 -172.9368 56.1815 179.4171 -60.806 178.6233 -58.1412 61.6357 -58.6673 64.5682 -175.6548 -65.517 54.788 174.5774 173.3747 -66.3203 53.4691 58.0461 178.3511 -61.8595 68.1089 -51.2872 -172.3211 -56.1171 -175.5132 63.4529 -174.775 65.8289 -55.205 -54.9601 66.0825 -173.6844 67.7964 -171.1611 -50.928 -174.2154 -53.1729 67.0602 -178.3683 -56.4903 59.3042 -56.1319 65.7461 -178.4594 59.7125 -178.4094 -62.6149 59.7394 179.9576 -59.8115 -61.883 58.3352 178.5661 -178.155 -57.9368 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 200.14859999999993 AuxInfo=1/0/N:16,12,14,15,13,9,11,7,4,5,10,3,6,8,1,2/E:(3,4)/rA:46OOCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s4;s1s5;s3;s2s6;s3;s8;s7;s9;s11;s10;s10;s13;s3;s4;s4;s5;s5;s6;s7;s7;s8;s9;s9;s10;s11;s11;s12;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;s1;s2;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.668464 0.000000 4.902153 5.102197 0.000000 3.691567 4.115210 1.544407 0.000000 2.348202 3.007004 2.573802 1.530392 0.000000 1.449726 2.423978 3.925457 2.537557 1.531085 0.000000 5.388311 4.856346 1.543825 2.554551 3.123094 4.449440 0.000000 2.412499 1.432690 4.642560 3.365349 2.564230 1.550925 4.738338 0.000000 5.146737 5.854591 1.543806 2.567379 3.081995 4.540823 2.525627 5.551740 0.000000 3.082250 2.429625 6.042051 4.645653 3.946917 2.586139 6.231259 1.551955 6.959237 0.000000 6.089949 5.061436 2.556286 3.162120 3.938096 4.932655 1.534075 4.824136 3.885635 6.168179 0.000000 5.512222 6.749427 2.557840 3.118564 3.762673 4.973999 3.897295 6.220968 1.526582 7.455290 5.071367 0.000000 6.951484 5.430795 3.918308 4.532860 4.997250 5.919040 2.536140 5.525085 5.046420 6.834763 1.535373 6.381068 0.000000 4.377436 2.828951 6.979853 5.724371 5.079744 3.915738 6.879567 2.515944 8.023124 1.531038 6.569494 8.688298 6.938912 0.000000 3.842798 3.784762 6.203552 4.716042 4.428831 3.083252 6.649975 2.540005 7.196850 1.531115 6.470870 7.449138 7.348004 2.521690 0.000000 7.933485 6.172067 5.091050 5.522234 6.100902 6.791419 3.896822 6.158660 6.369045 7.250936 2.534828 7.591598 1.527171 7.116618 7.635827 0.000000 5.787677 5.978063 1.119818 2.156669 3.505858 4.691165 2.170569 5.357230 2.164741 6.648676 2.681964 2.728335 4.139624 7.564273 6.590419 5.101312 0.000000 3.898264 4.855139 2.172360 1.107474 2.170996 2.833304 3.499934 3.914487 2.831908 4.962977 4.084208 2.793811 5.532387 6.198093 4.751144 6.443829 2.431945 0.000000 4.084786 3.966768 2.167779 1.108612 2.172317 2.711519 2.760433 3.059327 3.509868 4.231907 2.784901 4.097421 4.139047 5.143301 4.188309 4.874956 2.467319 1.770049 0.000000 2.363290 3.721260 2.894308 2.184410 1.110903 2.159793 3.619712 3.445945 2.808526 4.711115 4.714551 3.299709 5.765072 5.932216 5.192892 6.988300 3.861723 2.490923 3.096436 0.000000 2.784751 2.568845 2.758451 2.183956 1.112212 2.176169 2.718222 2.630097 3.307427 4.155517 3.546281 4.342896 4.324071 5.021740 4.919753 5.510347 3.794987 3.095116 2.604360 1.765444 0.000000 2.089781 3.389409 4.188677 2.669450 2.204512 1.110125 4.987923 2.218720 4.825090 2.763153 5.378025 4.951778 6.525702 4.226596 2.676958 7.293902 4.749505 2.545675 2.770592 2.697763 3.098240 0.000000 6.266182 5.787986 2.182076 3.499726 4.032237 5.445460 1.106911 5.790736 2.625613 7.303508 2.169287 4.045899 2.763786 7.927473 7.751568 4.180282 2.604614 4.330543 3.813091 4.323857 3.581805 5.996441 0.000000 4.753184 4.045090 2.183438 2.734344 2.712652 4.000022 1.108720 4.197719 2.881683 5.739332 2.176563 4.319042 2.759629 6.340347 6.392738 4.187994 3.088270 3.782824 3.006063 3.197615 1.972885 4.747405 1.765570 0.000000 3.371981 2.004869 4.236764 3.095079 2.748118 2.215300 4.175689 1.112573 5.389490 2.212289 3.967792 6.161732 4.652715 2.771067 2.839264 5.149831 4.822429 3.780055 2.480022 3.807660 2.693817 2.723694 5.257475 3.787005 0.000000 6.141334 6.631659 2.176405 3.513648 4.052742 5.554133 2.667358 6.450692 1.108399 7.908758 4.020853 2.160935 4.993874 8.880741 8.193667 6.350409 2.543220 3.851060 4.327147 3.804500 4.072036 5.896628 2.290711 3.145451 6.202309 0.000000 4.524514 5.334769 2.186369 2.807530 2.722695 4.187954 2.822266 5.234809 1.107224 6.662773 4.299992 2.168396 5.290976 7.729787 7.095371 6.701341 3.091190 3.193341 3.818322 2.195572 2.811758 4.651711 2.973410 2.737167 5.250690 1.764379 0.000000 2.735896 2.699437 6.600793 5.189718 4.252485 2.793765 6.863590 2.178621 7.319747 1.117593 6.994068 7.737740 7.664020 2.159128 2.170564 8.197790 7.295159 5.424068 4.978347 4.797214 4.499750 2.989735 7.897950 6.276244 3.116402 8.303448 6.891923 0.000000 5.526045 4.399322 2.787501 2.809876 3.556774 4.257339 2.176498 3.978301 4.268729 5.212259 1.107612 5.308473 2.173959 5.591449 5.442582 2.771511 2.951817 3.714247 2.106074 4.505603 3.283969 4.635268 3.088931 2.544936 3.025226 4.655104 4.612387 6.107780 0.000000 6.875359 6.042875 2.795500 3.570817 4.647966 5.644681 2.177167 5.640610 4.103367 6.905394 1.106607 5.095311 2.175873 7.349274 7.001059 2.761182 2.457219 4.284535 3.168594 5.367626 4.442589 5.918789 2.530367 3.094776 4.746933 4.125836 4.756427 7.771723 1.767152 0.000000 4.789665 6.327794 2.858118 2.831706 3.337466 4.303786 4.307014 5.672867 2.182927 6.772288 5.391384 1.096253 6.765778 8.101006 6.682389 7.919450 3.121837 2.231294 3.828993 2.824565 4.142541 4.132600 4.692786 4.592848 5.742409 3.086058 2.522885 6.981312 5.407612 5.501144 0.000000 6.320090 7.423259 2.807787 3.481756 4.460133 5.606709 4.176081 6.769178 2.183628 7.955580 5.123690 1.095595 6.497121 9.157883 7.783555 7.576290 2.516651 3.041580 4.274720 4.188036 5.060041 5.453243 4.275891 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6.315525 1.111044 5.289843 2.179682 6.546575 6.828764 2.814400 2.596387 4.079914 2.713011 5.047010 3.994323 5.668799 2.586807 3.094109 4.152000 4.400353 4.777158 7.126805 1.780251 0.000000 5.028540 6.338774 2.939206 2.889491 3.394461 4.273886 4.378031 5.541979 2.208867 6.619139 5.507646 1.105520 6.890041 7.892493 6.388754 8.077624 3.254560 2.271226 3.880819 2.887729 4.263927 3.925349 4.812291 4.579000 5.444764 3.106829 2.534283 7.005106 5.569966 5.605098 0.000000 6.511747 7.295126 2.844972 3.450868 4.483415 5.545461 4.242842 6.555246 2.199016 7.722041 5.344189 1.106891 6.655604 8.810045 7.475868 7.848785 2.587187 2.958409 4.213941 4.235907 5.174376 5.263425 4.336671 4.783364 6.184086 2.566492 3.108466 8.281195 5.711133 5.183534 1.786397 0.000000 6.389579 7.655549 3.560439 4.176180 4.665099 5.797702 4.736938 7.066460 2.198296 8.261986 6.115744 1.105720 7.292103 9.499169 8.139599 8.648896 3.789509 3.826957 5.177496 4.016608 5.285056 5.608358 4.783351 4.903465 6.952320 2.482927 2.546010 8.608853 6.447346 6.247105 1.781791 1.787055 0.000000 6.516125 4.900935 4.290690 4.846624 4.900354 5.933197 2.786651 5.705530 5.227358 7.132811 2.177012 6.703060 1.109245 7.284588 8.163555 2.180914 4.772403 5.932719 4.649782 5.499461 4.001999 6.815421 2.990566 2.620408 5.369846 5.204008 5.172832 7.594770 2.531133 3.092485 7.058489 7.026154 7.408475 0.000000 7.662189 6.148639 4.216854 5.128616 5.669822 6.828156 2.813109 6.655106 5.181108 8.091602 2.180680 6.568100 1.109597 8.235159 8.897237 2.183820 4.301152 6.087400 4.878125 6.253857 5.014858 7.529917 2.509030 3.231189 6.078849 4.909689 5.463396 8.717377 3.087558 2.524052 7.117511 6.638036 7.275531 1.775535 0.000000 5.109602 3.381911 6.723165 5.419679 5.295535 4.302443 6.887877 2.851494 7.992520 2.193864 6.037716 8.436277 6.905207 1.107561 2.762975 6.564347 6.970298 5.697351 4.602540 6.280132 5.378164 4.505273 7.922694 7.026674 2.603057 8.857952 8.047374 3.090773 5.017784 6.057992 7.859933 8.578909 9.460607 7.163453 7.904838 0.000000 4.538137 2.493737 6.980174 5.745591 5.184541 4.188129 6.885997 2.712020 8.146765 2.190580 6.092183 8.793681 6.729183 1.102680 3.505338 6.423651 7.467157 6.237697 5.097058 6.102163 4.988065 4.736020 7.945805 6.754091 2.985233 8.992703 7.975784 2.538938 4.989544 6.418074 8.237974 9.134287 9.742609 6.715745 7.814494 1.788253 0.000000 5.140504 3.897094 7.966111 6.559139 6.082448 4.799097 8.158248 3.508056 9.071516 2.200461 7.454642 9.453394 8.273966 1.105602 2.831221 7.983483 8.359994 6.774474 5.934519 6.915139 6.169622 4.975823 9.240430 8.109965 3.789295 10.011426 8.956271 2.479101 6.376380 7.628349 8.746944 9.728790 10.400484 8.353517 9.324315 1.788662 1.797671 0.000000 4.430366 4.167984 5.954425 4.460885 4.524023 3.396013 6.701706 2.798909 6.948060 2.199584 6.341442 6.928786 7.627449 2.863421 1.107359 7.741549 6.124786 4.220799 3.947182 5.271251 5.138772 2.917041 7.724794 6.934197 2.613999 7.945612 7.092977 3.105137 5.491275 6.245090 6.154518 7.014271 7.899611 7.948095 8.478167 2.635851 3.836539 3.296513 0.000000 3.440001 4.271135 6.198935 4.650179 4.258691 2.874389 7.051539 2.922601 6.859659 2.228977 7.018543 6.711601 8.331369 3.524347 1.105670 8.677677 6.592917 4.307432 4.538066 4.698075 4.993258 2.176922 8.098467 7.064557 3.327046 7.943493 6.785790 2.518668 6.166001 7.132342 5.770602 7.016599 7.530394 8.459323 9.187038 3.825439 4.383516 3.807139 1.787791 0.000000 4.669793 4.677883 7.439909 5.896311 5.578945 4.159207 8.109051 3.532673 8.317762 2.192087 7.761844 8.286817 8.942414 2.719649 1.105341 8.987920 7.748056 5.689822 5.495417 6.203539 6.112971 3.746143 9.179894 8.166225 3.804863 9.362280 8.289060 2.564340 6.807297 7.804146 7.409039 8.500817 9.173610 9.119513 9.876272 2.982873 3.765848 2.555797 1.784058 1.781960 0.000000 0.991559 3.225727 5.863672 4.553519 3.276592 2.045818 6.350926 2.738445 6.215686 2.857789 6.601590 6.458356 7.664497 4.261452 3.414551 8.258889 6.688426 4.670486 4.826427 3.371526 3.634920 2.336631 7.394378 5.899761 3.765229 7.249608 5.677082 2.276465 5.746541 7.158469 5.626701 7.170633 7.078459 7.402958 8.552428 5.013237 4.460782 4.745908 4.220492 2.963868 4.106059 0.000000 2.190136 0.997228 5.253751 4.208272 3.008813 2.419442 5.097772 1.985167 6.030435 2.841642 4.914049 6.838973 5.618549 3.508273 4.207323 5.999190 6.106291 4.891936 4.120693 3.651781 2.547602 3.450064 6.155197 4.571575 2.840848 6.867460 5.540579 2.696857 3.934586 5.645433 6.347720 7.477010 7.607267 5.253255 6.629817 4.158295 3.080306 4.341041 4.689097 4.410158 4.982775 2.662559 0.000000 6.924165 4.522888 5.384192 5.406362 5.612129 6.129892 4.267683 5.283050 6.734604 6.380432 2.838014 7.989083 2.195605 6.020362 7.425840 1.106145 5.605323 6.400185 4.701883 6.542232 4.865125 6.940123 4.754791 4.447335 4.715484 6.941300 6.851741 7.024727 2.584004 3.182437 8.138935 8.124685 8.900401 2.542520 3.107882 5.675268 5.413664 7.013295 7.095453 8.029549 8.205931 7.605079 5.238218 0.000000 8.358689 6.140732 6.122785 6.544569 6.849470 7.610985 4.774636 6.940802 7.316134 8.123489 3.539453 8.678699 2.205138 7.806897 9.147785 1.105764 6.253117 7.557166 5.975440 7.650289 6.044750 8.429208 4.864414 4.977387 6.375803 7.252435 7.474086 8.737975 3.795805 3.827621 9.030640 8.769663 9.489781 2.531181 2.532011 7.450838 7.174029 8.795303 8.781112 9.694502 9.961959 9.122817 6.745901 1.788004 0.000000 8.018161 5.856763 5.327166 5.662155 6.299765 7.003813 4.288236 6.299595 6.701939 7.439005 2.841579 7.878199 2.198339 7.142125 8.226127 1.106780 5.208757 6.544462 4.927534 7.193456 5.733307 7.645802 4.470296 4.838509 5.510128 6.726473 7.078810 8.229189 3.132846 2.628465 8.192395 7.791568 8.792823 3.107887 2.551467 6.585050 6.730567 8.146170 7.683337 8.794256 9.039670 8.733653 6.624386 1.786387 1.787546 0.000000 0.4778117 0.2848187 0.2032263 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= 215 215 215 215 216 MxSgAt= 46 MxSgA2= 46. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F 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= 12246 NPrTT= 59766 LenC2= 11078 LenP2D= 34774. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 220 RedAO= T EigKep= 1.50D-03 NBF= 220 NBsUse= 220 1.00D-06 EigRej= -1.00D+00 NBFU= 220 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= 214 214 214 214 214 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -700.465891446335 -700.607810244841 -0.141918798507 -700.960241728382 -0.352431483541 -700.965159826153 -0.004918097771 -700.970352879493 -0.005193053340 -700.970418716246 -0.000065836753 -700.970424900863 -0.000006184617 -700.970571354543 -0.000146453680 -700.970571716990 -0.000000362448 -700.970571777251 -0.000000060261 -700.970571863794 -0.000000086542 -700.970571865869 -0.000000002076 -700.970571865959 -0.000000000090 -700.970571865942 0.000000000017 -700.970571866 14 6.977721248737e+02 -4.066831360082e+03 1.450402649995e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=301063507. IVT= 166482 IEndB= 166482 NGot= 939524096 MDV= 643857410 LenX= 643857410 LenY= 643808569 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. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 24310 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -4.71392870e-01 5.53122035e-01 6.00643898e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 8 8 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 1 1 -0.004636338 0.010332586 -0.021306566 0.008627040 -0.014646835 -0.022631552 0.007051488 -0.000005818 -0.001244748 0.001534443 -0.000265949 0.006018697 0.004290773 0.001160644 -0.002194720 0.010408414 -0.002812941 0.002821267 -0.000782753 0.001214569 0.003428970 -0.003943630 0.001489401 0.009366003 0.002158064 -0.000550383 -0.000689914 0.004220219 -0.001092991 0.004201730 0.000099805 -0.001746497 -0.005559134 -0.000472537 0.005495421 -0.002715424 -0.001082171 -0.000952199 -0.000124530 -0.002034334 -0.003908704 -0.008857465 -0.005549445 0.002443684 0.002520926 0.001019263 -0.005948783 -0.001617419 -0.000418190 -0.000437390 -0.004257377 -0.001652929 0.000142732 0.000364184 -0.000567980 0.000557476 0.000324750 -0.003345866 -0.001086707 0.003889756 -0.005239152 0.001642375 0.003140713 0.005054430 -0.002890556 0.001397708 0.001869350 0.000058885 0.001012361 0.001061837 -0.001324629 0.000454084 -0.004579677 0.005330742 0.004048876 0.000304862 -0.000834464 0.001062123 0.000026497 -0.000420065 -0.000532837 0.002152658 -0.001239875 0.000803458 -0.000777823 -0.001897723 -0.000469884 0.002215384 0.000477970 0.000954181 -0.005602502 0.001977996 0.000788970 0.003330836 -0.001144532 0.006263284 0.002413277 0.005403306 -0.003199741 -0.000872252 0.000834920 0.000043706 0.001368680 0.001130528 0.000291811 0.004085111 -0.002446540 0.006772272 0.000211124 0.000189701 -0.001498294 -0.007995813 -0.000093263 0.002096637 0.005016834 -0.003985473 0.003002295 0.000711952 0.006577554 0.002016720 -0.005667277 -0.000395081 0.001492136 -0.012865872 0.003261048 0.000997929 -0.000376511 0.005125365 0.002272642 -0.006618956 0.000229499 0.001897926 0.001506934 -0.006517334 -0.002266282 0.004342736 0.001568329 0.005419772 0.022631552 0.004679469 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -700.980437942123 -700.980481633367 -0.000043691243 -700.980480707023 0.000000926344 -700.980845949779 -0.000365242756 -700.980846301899 -0.000000352120 -700.980846277783 0.000000024116 -700.980846322456 -0.000000044673 -700.980846323083 -0.000000000627 -700.980846323191 -0.000000000108 -700.980846323194 -0.000000000003 -700.980846323 10 6.971598927583e+02 -4.051722633588e+03 1.443245290706e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=301063507. IVT= 166482 IEndB= 166482 NGot= 939524096 MDV= 643857410 LenX= 643857410 LenY= 643808569 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. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 24310 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. 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 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 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 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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 H 1S 2S 18 H 1S 2S 19 H 1S 2S 20 H 1S 2S 21 H 1S 2S 22 H 1S 2S 23 H 1S 2S 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 39 H 1S 2S 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 43 H 1S 2S 44 H 1S 2S 45 H 1S 2S 46 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 H 1S|2S|18 H 1S|2S|19 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|39 H 1S|2S|40 H 1S|2S|41 H 1S|2S|42 H 1S|2S|43 H 1S|2S|44 H 1S|2S|45 H 1S|2S|46 H 1S|2S 1.13238 0.85943 0.94497 0.92712 1.03829 1.31990 1.06859 0.26688 0.52363 0.37777 1.13236 0.85946 0.94457 0.91941 1.32025 1.13775 0.97778 0.52619 0.41611 0.21598 1.17437 0.81408 0.72227 0.58483 0.85108 0.85791 0.88887 0.00637 0.01076 0.07398 1.17429 0.81420 0.71877 0.67192 0.86754 0.92166 0.86946 0.09551 0.17236 0.16196 1.17425 0.81413 0.72066 0.64148 0.84572 0.94004 0.88968 0.04780 0.22004 0.12536 1.17449 0.81393 0.73968 0.60180 0.88845 0.90875 0.73138 0.10450 0.17269 0.04986 1.17431 0.81417 0.72210 0.64250 0.89890 0.85930 0.89394 0.18935 0.05523 0.17936 1.17448 0.81403 0.74101 0.55365 0.89708 0.80382 0.83382 0.08474 0.03837 0.13810 1.17431 0.81423 0.72281 0.63102 0.90530 0.85290 0.89293 0.18536 0.05339 0.16938 1.17436 0.81410 0.72449 0.54541 0.86182 0.86250 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charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 O O 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 H H -0.458962 -0.449851 0.015491 -0.467666 -0.419159 -0.185527 -0.429165 -0.079101 -0.401621 -0.034657 -0.367473 -0.719858 -0.359402 -0.717820 -0.725151 -0.700958 0.184210 0.196442 0.215977 0.233982 0.233611 0.201250 0.181850 0.200817 0.200929 0.195082 0.207104 0.178096 0.219838 0.182723 0.216109 0.211303 0.215296 0.197553 0.189963 0.199554 0.257179 0.207917 0.215477 0.210868 0.221877 0.341104 0.346705 0.219409 0.212830 0.205825 0.00000 -5.44875502e-01 6.92107339e-01 4.71429587e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.3849 1.7592 1.1983 2.5394 -94.0838 -108.5369 -105.1238 -4.0686 0.8702 0.2920 8.4977 -5.9554 -2.5423 -4.0686 0.8702 0.2920 -39.2028 10.8499 1.5302 1.0746 16.3659 -10.7554 -1.8800 -7.8565 0.3180 2.9258 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0.000006028 -0.000015976 0.000000468 0.000018725 -0.000004000 -0.000006826 -0.000018177 -0.000001109 -0.000002280 -0.000016352 -0.000000702 -0.000008552 -0.000008013 -0.000000020 -0.000028465 0.000009541 0.000012607 -0.000000784 0.000006943 -0.000014160 -0.000010676 -0.000005990 -0.000008908 -0.000004916 0.000000544 0.000021547 0.000009775 0.000004191 -0.000006618 -0.000014551 0.000002786 -0.000012941 -0.000003264 -0.000011541 -0.000003200 0.000006206 0.000005964 -0.000002632 0.000007306 0.000009207 0.000001082 -0.000004692 -0.000006788 0.000003878 -0.000015757 0.000001901 -0.000004694 -0.000011192 0.000007366 -0.000006355 -0.000000314 0.000012603 -0.000008581 0.000003876 -0.000001366 0.000008347 0.000006790 0.000003937 -0.000003682 0.000016021 0.000006270 0.000010460 0.000000502 -0.000000446 0.000003310 0.000010361 0.000021048 0.000006559 0.000011025 0.000011589 -0.000011519 0.000024571 -0.000008521 -0.000000388 -0.000012338 0.000001661 -0.000008375 -0.000017004 0.000003062 -0.000007216 -0.000003188 200.14859999999993 AuxInfo=1/0/N:16,12,14,15,13,9,11,7,4,5,10,3,6,8,1,2/E:(3,4)/rA:46OOCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s4;s1s5;s3;s2s6;s3;s8;s7;s9;s11;s10;s10;s13;s3;s4;s4;s5;s5;s6;s7;s7;s8;s9;s9;s10;s11;s11;s12;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;s1;s2;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2025 CBGUSER 000251232 EM64L-G09RevD.01 9-Feb-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 132 C1[X(C14H30O2)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 200.14859999999993 0 1 AuxInfo=1/0/N:16,12,14,15,13,9,11,7,4,5,10,3,6,8,1,2/E:(3,4)/rA:46OOCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s4;s1s5;s3;s2s6;s3;s8;s7;s9;s11;s10;s10;s13;s3;s4;s4;s5;s5;s6;s7;s7;s8;s9;s9;s10;s11;s11;s12;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;s1;s2;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-20373.inp" -scrdir="/scratch/" chk=000251232-Freq.chk nprocshared=4 mem=7GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000251232 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 16 16 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 1 1 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 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 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. 3.00e-01 1.00e-07 1.00e-07 2 2 Search for a local minimum. |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000153 0.000034 0.067369 0.025549 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -8.497718e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1210.3365551007 220 504 220 65 65 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 200.14859999999993 AuxInfo=1/0/N:16,12,14,15,13,9,11,7,4,5,10,3,6,8,1,2/E:(3,4)/rA:46OOCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s4;s1s5;s3;s2s6;s3;s8;s7;s9;s11;s10;s10;s13;s3;s4;s4;s5;s5;s6;s7;s7;s8;s9;s9;s10;s11;s11;s12;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;s1;s2;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.781576 0.000000 5.021564 4.963749 0.000000 3.820194 3.882802 1.556536 0.000000 2.414463 3.003308 2.611562 1.546147 0.000000 1.493939 2.449703 3.976517 2.570629 1.536240 0.000000 5.429989 4.785587 1.555442 2.594059 3.165180 4.553878 0.000000 2.463009 1.474463 4.622062 3.234248 2.587120 1.553845 4.898350 0.000000 5.364126 5.964194 1.554879 2.596723 3.185863 4.611220 2.547274 5.620054 0.000000 3.116590 2.494371 6.066017 4.592330 3.988058 2.620213 6.435649 1.557702 7.022649 0.000000 5.762370 4.353115 2.619239 3.094703 3.709627 4.760381 1.545994 4.597069 3.964407 6.048832 0.000000 5.758039 6.786893 2.609916 3.144614 3.839035 4.975938 3.955012 6.142367 1.544566 7.355274 5.219981 0.000000 6.807367 5.101924 3.982286 4.588298 4.973867 5.995407 2.575642 5.689629 5.114568 7.096234 1.546259 6.501951 0.000000 4.467791 2.922466 6.920883 5.557760 5.122131 3.957873 7.063949 2.537651 8.068695 1.546444 6.350961 8.533095 7.190261 0.000000 3.816803 3.874912 6.343808 4.796989 4.494162 3.116913 7.032035 2.579164 7.219970 1.549468 6.757369 7.236379 7.988184 2.544072 0.000000 7.504869 5.329196 5.190534 5.519890 5.909965 6.651614 3.955474 5.990329 6.482296 7.200056 2.574944 7.781174 1.544014 6.960543 8.147891 0.000000 5.913706 5.689260 1.113672 2.151973 3.526280 4.720912 2.162868 5.218147 2.162016 6.571497 2.865119 2.805508 4.222620 7.326855 6.684733 5.299882 0.000000 4.089718 4.604061 2.184873 1.109332 2.179932 2.819533 3.537271 3.659155 2.826397 4.773286 4.092363 2.779641 5.616629 5.864286 4.621524 6.509528 2.453946 0.000000 4.181152 3.550005 2.172037 1.107075 2.183840 2.784156 2.821741 2.877919 3.528251 4.184815 2.727298 4.106551 4.234508 4.903145 4.435454 4.898360 2.428066 1.768906 0.000000 2.508493 3.880524 2.897141 2.191092 1.106104 2.143284 3.587329 3.500432 2.887013 4.756962 4.470447 3.385800 5.672671 6.021666 5.146462 6.761681 3.877951 2.518785 3.101786 0.000000 2.690959 2.574963 2.842481 2.192432 1.105407 2.155111 2.804679 2.739760 3.520145 4.242995 3.215938 4.512256 4.244627 5.161564 5.065236 5.187818 3.835033 3.101467 2.569638 1.781535 0.000000 2.140932 3.416611 4.242501 2.752589 2.174759 1.108969 5.128088 2.198756 4.771862 2.810371 5.402959 4.789173 6.762707 4.256105 2.707324 7.418466 4.826303 2.545684 3.012354 2.541942 3.074725 0.000000 6.457710 5.863817 2.171137 3.529293 4.185955 5.623106 1.110569 6.007325 2.736540 7.541095 2.173568 4.152125 2.729754 8.142250 8.101009 4.198191 2.453103 4.337677 3.791655 4.454306 3.843502 6.148515 0.000000 4.930337 4.450159 2.193931 2.925830 2.922436 4.336420 1.109815 4.783843 2.761657 6.340414 2.178059 4.250582 2.859294 7.033419 7.093823 4.269522 3.086413 3.923336 3.312923 3.198149 2.297965 5.064606 1.771288 0.000000 3.418338 2.062764 4.193481 2.863271 2.775436 2.188601 4.481268 1.106435 5.405694 2.175336 3.976932 5.940256 5.150341 2.741473 2.840782 5.358847 4.596260 3.312774 2.172648 3.823336 2.954394 2.611117 5.557931 4.607704 0.000000 6.364779 6.782086 2.171197 3.532470 4.169304 5.645219 2.689493 6.565114 1.109316 8.013744 4.159130 2.173471 5.076814 8.979369 8.261658 6.521190 2.494884 3.829110 4.328909 3.896625 4.320621 5.861591 2.408117 2.972405 6.288823 0.000000 4.786188 5.647072 2.190423 2.875397 2.881700 4.321357 2.808136 5.453420 1.108873 6.860551 4.260828 2.181623 5.290767 7.974089 7.197249 6.694099 3.085783 3.231904 3.884849 2.318093 3.091570 4.619812 3.123920 2.563588 5.449300 1.770121 0.000000 2.783924 2.730511 6.659233 5.209141 4.311976 2.862308 6.990348 2.175079 7.456228 1.113584 6.729128 7.790988 7.704397 2.162544 2.179625 7.874082 7.288520 5.399339 4.976626 4.905236 4.506833 3.127410 8.099748 6.732504 3.081294 8.465447 7.139106 0.000000 4.966687 3.292023 2.943602 2.837822 3.182665 3.968773 2.189873 3.590839 4.341645 5.013854 1.108673 5.499704 2.170074 5.272051 5.830541 2.775668 3.350912 3.871697 2.287370 4.110643 2.638586 4.691740 3.092652 2.490899 3.003229 4.772909 4.489665 5.688687 0.000000 6.385094 4.972126 2.793226 3.271824 4.252552 5.203239 2.184100 4.969581 4.239098 6.315525 1.111044 5.289843 2.179682 6.546575 6.828764 2.814400 2.596386 4.079914 2.713010 5.047010 3.994323 5.668799 2.586808 3.094109 4.152000 4.400353 4.777157 7.126805 1.780251 0.000000 5.028540 6.338774 2.939206 2.889491 3.394461 4.273886 4.378031 5.541978 2.208866 6.619140 5.507646 1.105519 6.890041 7.892494 6.388755 8.077623 3.254560 2.271226 3.880818 2.887729 4.263927 3.925349 4.812291 4.579000 5.444764 3.106829 2.534282 7.005106 5.569965 5.605097 0.000000 6.511746 7.295125 2.844971 3.450868 4.483414 5.545461 4.242842 6.555245 2.199016 7.722041 5.344189 1.106890 6.655603 8.810046 7.475868 7.848784 2.587186 2.958409 4.213940 4.235907 5.174375 5.263425 4.336671 4.783364 6.184085 2.566492 3.108465 8.281195 5.711132 5.183533 1.786396 0.000000 6.389579 7.655549 3.560439 4.176179 4.665098 5.797701 4.736938 7.066459 2.198295 8.261987 6.115743 1.105719 7.292102 9.499170 8.139599 8.648896 3.789509 3.826957 5.177495 4.016608 5.285056 5.608358 4.783350 4.903465 6.952319 2.482927 2.546010 8.608854 6.447346 6.247104 1.781790 1.787055 0.000000 6.516125 4.900934 4.290690 4.846624 4.900354 5.933196 2.786651 5.705530 5.227358 7.132811 2.177012 6.703061 1.109245 7.284589 8.163556 2.180915 4.772403 5.932719 4.649782 5.499461 4.002000 6.815422 2.990566 2.620407 5.369846 5.204008 5.172831 7.594770 2.531134 3.092486 7.058489 7.026154 7.408474 0.000000 7.662190 6.148639 4.216854 5.128616 5.669823 6.828156 2.813109 6.655106 5.181109 8.091602 2.180681 6.568101 1.109597 8.235160 8.897238 2.183819 4.301152 6.087401 4.878125 6.253858 5.014859 7.529918 2.509031 3.231189 6.078849 4.909689 5.463397 8.717377 3.087559 2.524053 7.117511 6.638036 7.275531 1.775535 0.000000 5.109602 3.381912 6.723164 5.419679 5.295535 4.302442 6.887877 2.851494 7.992520 2.193864 6.037716 8.436278 6.905208 1.107561 2.762974 6.564347 6.970298 5.697351 4.602540 6.280133 5.378164 4.505272 7.922694 7.026674 2.603057 8.857952 8.047374 3.090773 5.017784 6.057992 7.859933 8.578909 9.460606 7.163454 7.904839 0.000000 4.538137 2.493737 6.980174 5.745591 5.184542 4.188128 6.885997 2.712020 8.146765 2.190579 6.092183 8.793682 6.729184 1.102679 3.505337 6.423652 7.467157 6.237697 5.097059 6.102164 4.988065 4.736020 7.945806 6.754092 2.985234 8.992702 7.975783 2.538937 4.989544 6.418074 8.237974 9.134286 9.742609 6.715745 7.814495 1.788253 0.000000 5.140505 3.897095 7.966111 6.559140 6.082449 4.799097 8.158249 3.508057 9.071517 2.200461 7.454642 9.453395 8.273967 1.105602 2.831221 7.983483 8.359994 6.774475 5.934520 6.915140 6.169623 4.975824 9.240431 8.109966 3.789295 10.011426 8.956271 2.479101 6.376380 7.628349 8.746944 9.728790 10.400485 8.353518 9.324316 1.788662 1.797671 0.000000 4.430366 4.167984 5.954425 4.460886 4.524023 3.396013 6.701706 2.798909 6.948060 2.199585 6.341442 6.928787 7.627450 2.863421 1.107359 7.741549 6.124786 4.220799 3.947182 5.271252 5.138772 2.917041 7.724795 6.934198 2.613999 7.945612 7.092977 3.105137 5.491275 6.245090 6.154518 7.014271 7.899611 7.948096 8.478167 2.635851 3.836539 3.296513 0.000000 3.440001 4.271134 6.198935 4.650179 4.258690 2.874389 7.051539 2.922600 6.859659 2.228977 7.018542 6.711601 8.331368 3.524347 1.105670 8.677677 6.592916 4.307432 4.538066 4.698075 4.993257 2.176921 8.098467 7.064557 3.327046 7.943492 6.785789 2.518667 6.166000 7.132341 5.770602 7.016598 7.530394 8.459322 9.187038 3.825439 4.383515 3.807139 1.787791 0.000000 4.669793 4.677883 7.439909 5.896311 5.578945 4.159207 8.109051 3.532673 8.317763 2.192088 7.761844 8.286817 8.942414 2.719650 1.105341 8.987920 7.748056 5.689822 5.495417 6.203540 6.112971 3.746143 9.179895 8.166226 3.804863 9.362280 8.289060 2.564340 6.807297 7.804146 7.409039 8.500817 9.173610 9.119513 9.876273 2.982873 3.765848 2.555797 1.784058 1.781960 0.000000 0.991559 3.225727 5.863672 4.553519 3.276592 2.045818 6.350926 2.738445 6.215686 2.857789 6.601590 6.458357 7.664497 4.261453 3.414551 8.258889 6.688426 4.670486 4.826427 3.371527 3.634920 2.336631 7.394378 5.899761 3.765228 7.249607 5.677081 2.276466 5.746540 7.158469 5.626702 7.170632 7.078459 7.402958 8.552428 5.013237 4.460781 4.745909 4.220492 2.963867 4.106059 0.000000 2.190136 0.997229 5.253751 4.208272 3.008812 2.419441 5.097772 1.985167 6.030435 2.841642 4.914048 6.838973 5.618549 3.508274 4.207323 5.999190 6.106291 4.891936 4.120693 3.651781 2.547601 3.450065 6.155197 4.571575 2.840848 6.867459 5.540578 2.696858 3.934586 5.645433 6.347720 7.477009 7.607266 5.253255 6.629817 4.158296 3.080307 4.341042 4.689098 4.410158 4.982775 2.662558 0.000000 6.924165 4.522888 5.384192 5.406362 5.612130 6.129892 4.267683 5.283051 6.734604 6.380432 2.838014 7.989084 2.195606 6.020362 7.425841 1.106145 5.605323 6.400186 4.701883 6.542232 4.865125 6.940123 4.754792 4.447335 4.715485 6.941299 6.851740 7.024727 2.584004 3.182438 8.138935 8.124684 8.900401 2.542521 3.107882 5.675269 5.413665 7.013295 7.095454 8.029549 8.205931 7.605079 5.238218 0.000000 8.358690 6.140731 6.122785 6.544569 6.849471 7.610985 4.774636 6.940801 7.316135 8.123489 3.539454 8.678700 2.205139 7.806898 9.147785 1.105764 6.253118 7.557167 5.975441 7.650289 6.044750 8.429208 4.864414 4.977386 6.375803 7.252435 7.474086 8.737975 3.795806 3.827622 9.030640 8.769663 9.489781 2.531181 2.532011 7.450839 7.174030 8.795304 8.781113 9.694502 9.961959 9.122817 6.745901 1.788004 0.000000 8.018162 5.856763 5.327166 5.662155 6.299766 7.003813 4.288236 6.299595 6.701939 7.439006 2.841579 7.878200 2.198339 7.142126 8.226127 1.106779 5.208757 6.544462 4.927534 7.193456 5.733307 7.645803 4.470297 4.838509 5.510128 6.726473 7.078810 8.229189 3.132846 2.628465 8.192395 7.791567 8.792823 3.107887 2.551466 6.585050 6.730567 8.146170 7.683338 8.794256 9.039670 8.733653 6.624386 1.786387 1.787546 0.000000 C14H30O2 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 0 200.14859999999993 AuxInfo=1/0/N:16,12,14,15,13,9,11,7,4,5,10,3,6,8,1,2/E:(3,4)/rA:46OOCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s4;s1s5;s3;s2s6;s3;s8;s7;s9;s11;s10;s10;s13;s3;s4;s4;s5;s5;s6;s7;s7;s8;s9;s9;s10;s11;s11;s12;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;s1;s2;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4778117 0.2848187 0.2032263 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= 12246 NPrTT= 59766 LenC2= 11078 LenP2D= 34774. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 220 RedAO= T EigKep= 1.50D-03 NBF= 220 NBsUse= 220 1.00D-06 EigRej= -1.00D+00 NBFU= 220 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= 214 214 214 215 215 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -700.501942237592 -700.633736695339 -0.131794457747 -700.966881592530 -0.333144897191 -700.973739361626 -0.006857769096 -700.980410216840 -0.006670855213 -700.980480294655 -0.000070077815 -700.980487593458 -0.000007298803 -700.980891820101 -0.000404226643 -700.980891881448 -0.000000061347 -700.980892193322 -0.000000311873 -700.980892236799 -0.000000043477 -700.980892238953 -0.000000002153 -700.980892239061 -0.000000000108 -700.980892239038 0.000000000023 -700.980892239 14 6.971596998352e+02 -4.051722278492e+03 1.443245131317e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=301063883. IVT= 166858 IEndB= 166858 NGot= 939524096 MDV= 643857034 LenX= 643857034 LenY= 643808193 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. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 24310 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 46. Will process 47 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 939523412 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=300910223. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 24310 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 138 vectors produced by pass 0 Test12= 1.01D-14 1.00D-09 XBig12= 1.31D+02 1.90D+00. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 1.01D-14 1.00D-09 XBig12= 1.27D+01 3.83D-01. 138 vectors produced by pass 2 Test12= 1.01D-14 1.00D-09 XBig12= 2.24D-02 9.15D-03. 138 vectors produced by pass 3 Test12= 1.01D-14 1.00D-09 XBig12= 2.23D-06 9.91D-05. 49 vectors produced by pass 4 Test12= 1.01D-14 1.00D-09 XBig12= 6.98D-11 9.37D-07. 3 vectors produced by pass 5 Test12= 1.01D-14 1.00D-09 XBig12= 3.88D-15 4.15D-09. InvSVY: IOpt=1 It= 1 EMax= 3.55D-15 Solved reduced A of dimension 604 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 159.08 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 170.405 -3.276 169.024 2.524 0.742 137.809 243.231 2.060 241.061 -1.385 -0.459 243.992 (Enter /mnt/data/applications/G09/g09/l716.exe) PT3462.200S Fri Feb 9 13:47:08 2018 -18.77072 -18.74546 -9.95178 -9.94314 -9.90770 -9.89215 -9.89095 -9.88570 -9.88439 -9.88322 -9.87955 -9.87800 -9.87769 -9.87627 -9.87574 -9.87063 -0.94016 -0.90838 -0.73898 -0.72680 -0.70166 -0.68954 -0.65228 -0.62961 -0.61472 -0.59867 -0.57448 -0.53762 -0.52822 -0.51166 -0.50261 -0.48118 -0.45230 -0.43736 -0.42337 -0.41990 -0.40513 -0.39516 -0.39113 -0.36944 -0.36654 -0.36247 -0.35665 -0.34834 -0.34545 -0.33770 -0.33603 -0.32635 -0.31670 -0.31409 -0.30863 -0.30294 -0.29728 -0.29121 -0.28856 -0.28277 -0.28053 -0.27798 -0.26814 -0.26303 -0.26022 -0.25694 -0.25053 -0.23586 -0.20753 0.01940 0.06105 0.07961 0.08459 0.09229 0.09718 0.09943 0.10567 0.10867 0.11179 0.11661 0.12481 0.13146 0.13744 0.14069 0.14621 0.15105 0.15436 0.15713 0.15814 0.16299 0.16660 0.17518 0.17642 0.17973 0.18435 0.18741 0.18833 0.19097 0.19460 0.19873 0.20232 0.20655 0.21109 0.21443 0.21774 0.22421 0.22985 0.23643 0.23938 0.24519 0.25482 0.26317 0.26785 0.27254 0.27587 0.28174 0.28792 0.29045 0.30019 0.31569 0.32161 0.33094 0.33537 0.33660 0.34274 0.34464 0.34661 0.36294 0.37355 0.38690 0.39294 0.39787 0.40707 0.41725 0.41954 0.43410 0.43764 0.44890 0.45961 0.46938 0.47476 0.48284 0.49973 0.50220 0.51134 0.51753 0.53340 0.53993 0.54968 0.55929 0.59127 0.63033 0.63423 0.65483 0.67643 0.71612 0.71934 0.75251 0.79044 0.80201 0.82618 0.84171 0.86998 0.88866 0.90036 0.91451 0.94055 0.95555 0.96250 0.97263 0.97736 0.98981 0.99819 1.01037 1.01233 1.03649 1.04044 1.05869 1.06856 1.07720 1.08701 1.09483 1.09751 1.10717 1.11865 1.12716 1.13364 1.13693 1.15609 1.15855 1.16670 1.18899 1.19994 1.21830 1.22558 1.22767 1.26086 1.26650 1.29974 1.32676 1.32857 1.35832 1.38666 1.43761 1.49400 1.55181 1.67193 1.76650 22.45078 22.49386 22.56282 22.58068 22.61307 22.62921 22.63815 22.64286 22.67220 22.67655 22.68676 22.69530 22.70238 22.71221 41.50951 41.53480 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 O O 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 H H -0.458935 -0.449822 0.015442 -0.467622 -0.419181 -0.185615 -0.429249 -0.079241 -0.401570 -0.034597 -0.367446 -0.719883 -0.359396 -0.717793 -0.725170 -0.700986 0.184211 0.196456 0.215969 0.234002 0.233639 0.201257 0.181865 0.200843 0.200961 0.195085 0.207103 0.178096 0.219831 0.182718 0.216111 0.211312 0.215301 0.197556 0.189970 0.199545 0.257174 0.207909 0.215480 0.210871 0.221878 0.341112 0.346722 0.219418 0.212833 0.205835 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 O O C C C C C C C C C C C C C C -0.117822 -0.103100 0.199653 -0.055198 0.048461 0.015642 -0.046542 0.121720 0.000618 0.143499 0.035104 -0.077159 0.028130 -0.053164 -0.076941 -0.062900 0.00000 -5.29507789e-01 -6.78794869e-01 -5.07005073e-01 1.70405057e+02 -3.27646235e+00 1.69024307e+02 2.52421790e+00 7.42144577e-01 1.37809270e+02 -3.6814 0.0007 0.0010 0.0010 3.5692 12.3947 18.9635 21.3628 40.0854 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 16.4036 21.1162 39.6860 55.9940 66.0271 76.5363 82.9821 100.1516 126.9050 142.3076 161.2677 174.2649 198.9709 214.4049 223.3820 232.9524 243.1864 257.2424 266.7046 288.8157 295.1669 302.8601 325.3054 345.6110 386.0741 421.8433 439.5610 452.0843 469.0812 491.6519 539.3917 565.5252 669.4085 733.2752 752.3648 766.7460 787.0827 810.0959 828.0500 865.4230 892.6394 908.8825 917.8553 923.5082 933.8922 950.0928 970.0500 971.4320 1000.3715 1011.8612 1024.9729 1038.5478 1052.3988 1056.5179 1081.6328 1091.4760 1099.4410 1120.3420 1126.4355 1141.5023 1165.4568 1170.6196 1186.5564 1209.5243 1219.2971 1230.8915 1244.4033 1258.3423 1266.0056 1269.3349 1283.5546 1291.0440 1293.7052 1296.9369 1302.3067 1323.2506 1328.6536 1339.3271 1345.2540 1348.8037 1355.5662 1356.9788 1366.4686 1375.3721 1387.8594 1389.1333 1394.9825 1396.0572 1462.7797 1464.6370 1466.2346 1466.5740 1471.2490 1471.6152 1475.9671 1477.2347 1480.6651 1482.6698 1483.2264 1488.0584 1491.8717 1495.3680 2931.8913 2936.7011 2950.4548 2955.6520 2964.9107 2968.3972 2970.8676 2971.1948 2972.9365 2974.5675 2976.6921 2989.7611 2993.3003 3002.0212 3006.3251 3016.0885 3017.7214 3026.2969 3033.8905 3060.4456 3065.3620 3066.6345 3067.1257 3067.2949 3071.2238 3071.4771 3071.8796 3099.1323 3465.7425 3550.1423 3.6888 3.5184 3.6706 2.7268 2.9617 1.6487 2.9600 3.0939 2.5840 2.0321 2.9992 2.0190 1.8593 1.2979 1.2310 1.2224 1.3389 2.1020 3.3258 3.0032 1.2415 2.7159 2.3542 2.5067 2.7131 2.8718 2.8895 2.8604 2.9151 2.6225 1.1159 2.2684 2.8597 1.0884 1.3073 1.6589 1.8187 1.6673 1.5986 2.5229 1.8652 2.0261 1.2504 1.4209 2.2212 1.7025 2.0771 2.1471 2.4830 1.8389 1.4538 2.1707 2.7626 1.9352 2.3930 1.9672 1.6265 1.6497 1.8302 2.0416 2.6848 1.6438 1.4787 1.5040 1.4877 1.3748 1.3085 1.2404 1.2921 1.3442 1.1603 1.2622 1.1390 1.2267 1.4274 1.2415 1.3814 1.4300 1.3521 1.5345 1.4578 1.4110 1.4162 1.2048 1.2162 1.2199 1.3386 1.2923 1.0740 1.0696 1.0608 1.0623 1.0542 1.0625 1.0554 1.0436 1.0655 1.0735 1.0500 1.0805 1.0515 1.0710 1.0811 1.0819 1.0601 1.0599 1.0596 1.0588 1.0368 1.0367 1.0421 1.0374 1.0580 1.0822 1.0947 1.0624 1.1014 1.0999 1.0953 1.0858 1.1034 1.0990 1.1012 1.0993 1.1001 1.0996 1.0986 1.1000 1.0993 1.0987 1.0645 1.0660 0.0006 0.0009 0.0034 0.0050 0.0076 0.0057 0.0120 0.0183 0.0245 0.0242 0.0460 0.0361 0.0434 0.0352 0.0362 0.0391 0.0467 0.0820 0.1394 0.1476 0.0637 0.1468 0.1468 0.1764 0.2383 0.3011 0.3289 0.3444 0.3779 0.3735 0.1913 0.4274 0.7550 0.3448 0.4360 0.5746 0.6638 0.6447 0.6458 1.1133 0.8757 0.9861 0.6206 0.7140 1.1414 0.9055 1.1516 1.1938 1.4640 1.1093 0.8999 1.3794 1.8027 1.2727 1.6495 1.3808 1.1583 1.2200 1.3682 1.5674 2.1486 1.3272 1.2266 1.2964 1.3031 1.2272 1.1939 1.1572 1.2202 1.2761 1.1263 1.2395 1.1232 1.2157 1.4264 1.2808 1.4368 1.5114 1.4416 1.6448 1.5783 1.5308 1.5580 1.3428 1.3802 1.3870 1.5347 1.4839 1.3540 1.3519 1.3437 1.3461 1.3445 1.3557 1.3546 1.3417 1.3763 1.3904 1.3610 1.4097 1.3789 1.4110 5.4754 5.4973 5.4370 5.4553 5.4881 5.4969 5.3917 5.3920 5.4268 5.4081 5.5233 5.6996 5.7789 5.6409 5.8652 5.8952 5.8767 5.8588 5.9841 6.0650 6.0967 6.0908 6.0972 6.0956 6.1054 6.1144 6.1118 6.2174 7.5331 7.9156 0.3113 0.8436 0.9897 0.0076 0.4323 0.1081 0.9017 0.1454 0.1110 0.9827 2.4208 0.0380 0.6411 0.6909 3.3115 0.0296 0.1897 4.1361 15.8391 2.1586 71.2678 11.2186 1.0371 0.3252 4.1449 10.1461 2.2696 2.7419 1.9109 0.6104 193.7093 17.4556 11.7824 6.2190 8.4924 19.3315 1.6251 12.0214 4.4480 5.3012 9.0544 13.9945 3.2936 4.6047 9.6842 24.0548 36.2702 32.3552 15.7777 3.4023 13.7096 2.7877 1.3240 12.6987 1.2082 1.6558 23.8873 10.7862 3.3126 12.0089 1.1116 9.2158 11.0553 4.4455 17.1785 15.4717 8.6746 4.7116 6.8849 1.7864 1.2215 2.5922 4.1521 13.1104 1.1983 1.5008 0.7610 5.1492 4.1207 2.4707 13.5112 16.4293 5.7636 12.9304 10.1950 20.0430 31.2399 6.1747 2.0112 0.2709 5.6938 2.7743 4.8108 0.7893 8.8609 12.9953 2.6832 24.9072 10.5366 18.5555 25.8764 5.9034 21.3105 28.7028 2.4084 7.5959 34.8633 105.7719 17.3737 38.5171 18.0191 31.0919 31.9871 45.4599 7.6648 31.3205 0.3435 31.9117 20.6502 45.5511 85.8595 16.6101 32.6562 8.3605 69.0103 123.7335 131.1194 35.7289 35.1968 16.7208 19.0399 2.9969 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 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