Gaussian 09 GINC-KIMIK2075 CBGUSER 000074913 EM64L-G09RevD.01 6-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 180.11589999999995 0 1 AuxInfo=1/0/N:10,11,12,13,6,7,8,9,4,5,14,3,1,2/E:(1,2,3,4)(5,6)(7,8)(9,10)(13,14)/CRV:11.3,12.1/rA:36OOO1CCCCCCCCCCC3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s4;s5;s1s6;s2s7;s4;s4;s5;s5;s1s2s3;s4;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-19655.inp" -scrdir="/scratch/" chk=000074913.chk nprocshared=4 mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000074913 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 16 16 16 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 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 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 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 (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 1 1 2 2 3 4 4 4 4 5 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 11 12 12 12 13 13 13 8 14 9 14 14 6 10 11 15 7 12 13 16 8 17 18 9 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 1.4222 1.3664 1.4314 1.3624 1.2238 1.5372 1.5305 1.5293 1.0971 1.5373 1.5306 1.5292 1.097 1.5239 1.0978 1.0979 1.5239 1.0977 1.0978 1.0948 1.0946 1.0948 1.0947 1.0959 1.0946 1.0951 1.0944 1.0957 1.095 1.0958 1.0946 1.0951 1.0945 1.0955 1.095 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 8 9 6 6 6 10 10 11 7 7 7 12 12 13 4 4 4 8 8 17 5 5 5 9 9 19 1 1 1 6 6 21 2 2 2 7 7 23 4 4 4 25 25 26 4 4 4 28 28 29 5 5 5 31 31 32 5 5 5 34 34 35 1 1 2 1 2 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 10 11 15 11 15 15 12 13 16 13 16 16 8 17 18 17 18 18 9 19 20 19 20 20 6 21 22 21 22 22 7 23 24 23 24 24 25 26 27 26 27 27 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 2 3 3 115.9295 115.5781 109.8505 112.3838 107.8395 109.7359 108.582 108.3491 109.8495 112.3931 107.8364 109.7381 108.582 108.3414 113.7515 109.6503 109.6818 109.2186 108.9631 105.2232 113.7471 109.6649 109.6959 109.203 108.9562 105.2214 108.697 108.6903 108.3135 110.7668 110.9503 109.357 108.6971 108.5212 108.1459 110.8567 111.0296 109.5108 109.9804 112.5168 111.1477 106.9908 107.4422 108.55 112.2932 110.2927 110.7655 107.3848 108.2482 107.682 109.9821 112.5094 111.1428 107.0077 107.4426 108.5442 112.283 110.3049 110.7603 107.3876 108.2469 107.684 108.3596 125.6443 125.996 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 14 14 14 8 8 14 14 14 9 9 10 10 10 11 11 11 15 15 15 6 6 6 11 11 11 15 15 15 6 6 6 10 10 10 15 15 15 12 12 12 13 13 13 16 16 16 7 7 7 13 13 13 16 16 16 7 7 7 12 12 12 16 16 16 4 4 4 17 17 17 18 18 18 5 5 5 19 19 19 20 20 20 1 1 1 1 1 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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 7 7 7 7 7 7 7 7 7 8 8 8 14 14 9 9 9 14 14 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 7 7 7 7 7 7 7 7 7 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 6 21 22 2 3 7 23 24 1 3 8 17 18 8 17 18 8 17 18 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 9 19 20 9 19 20 9 19 20 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 1 21 22 1 21 22 1 21 22 2 23 24 2 23 24 2 23 24 179.998 59.3579 -59.3629 -179.9494 0.0051 -179.9977 59.3536 -59.3616 179.9555 0.0013 -58.5136 178.8708 63.7936 63.9629 -58.6527 -173.7299 -176.6836 60.7008 -54.3764 -170.0869 70.7487 -51.2306 65.8815 -53.2829 -175.2623 -52.3774 -171.5418 66.4788 -66.8986 173.3726 54.2594 55.6426 -64.0861 176.8007 174.0458 54.317 -64.7962 -58.5231 178.8738 63.7825 63.9619 -58.6413 -173.7325 -176.6907 60.7062 -54.3851 -170.1251 70.6927 -51.2703 65.8308 -53.3514 -175.3144 -52.42 -171.6022 66.4348 -66.8557 173.4104 54.29 55.6922 -64.0418 176.8379 174.092 54.358 -64.7623 -179.1621 -59.8121 61.8401 -56.3095 63.0405 -175.3073 58.1353 177.4852 -60.8626 -179.1533 -59.9568 62.0071 -56.2966 62.9 -175.1362 58.134 177.3306 -60.7056 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 192 216 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 36 36 36 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= 8256 NPrTT= 40830 LenC2= 6957 LenP2D= 22237. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 184 RedAO= T EigKep= 3.88D-03 NBF= 184 NBsUse= 184 1.00D-06 EigRej= -1.00D+00 NBFU= 184 Using GEDIIS/GDIIS optimizer. local minimum Step number 8 out of a maximum of 192 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00259 0.00274 0.00362 0.00366 0.00380 0.00427 0.00450 0.00489 0.01138 0.01351 0.02153 0.02219 0.03220 0.03417 0.03519 0.03646 0.04715 0.04810 0.04846 0.04874 0.04900 0.04902 0.05017 0.05412 0.05438 0.05440 0.05449 0.05461 0.05497 0.05531 0.05537 0.05542 0.05548 0.05558 0.08557 0.08623 0.10193 0.10717 0.11310 0.12365 0.12368 0.13561 0.13605 0.15869 0.15996 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16014 0.16021 0.16084 0.16207 0.17183 0.17361 0.17409 0.17823 0.20819 0.21917 0.21958 0.22563 0.23261 0.24994 0.25002 0.26831 0.28697 0.28766 0.29374 0.29426 0.29496 0.29989 0.30095 0.30425 0.33472 0.33920 0.33934 0.33941 0.34003 0.34014 0.34092 0.34145 0.34161 0.34176 0.34206 0.34218 0.34228 0.34240 0.34259 0.34266 0.34282 0.34286 0.34297 0.34306 0.34337 0.34515 0.37444 0.41230 0.51956 0.53247 0.89982 RFO step: Lambda=-2.86078064D-08. 1 2 3 0.00089497 0.00000122 0.00000000 0.00000049 0.00000032 0.00000032 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 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 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 2.83085 2.61130 2.83095 2.61130 2.36991 2.94189 2.92754 2.92751 2.09763 2.94190 2.92753 2.92751 2.09763 2.88989 2.09206 2.09205 2.88987 2.09206 2.09204 2.08692 2.08694 2.08691 2.08694 2.08940 2.09051 2.09039 2.09050 2.08940 2.09038 2.08941 2.09051 2.09039 2.09050 2.08940 2.09038 1.99957 1.99954 1.96219 1.96215 1.84585 1.93778 1.87457 1.87453 1.96217 1.96215 1.84585 1.93779 1.87457 1.87454 1.99154 1.90799 1.90798 1.89269 1.89281 1.86675 1.99154 1.90800 1.90797 1.89269 1.89281 1.86675 1.84992 1.88790 1.88755 1.97054 1.97023 1.89403 1.84991 1.88789 1.88751 1.97055 1.97026 1.89405 1.93203 1.94655 1.94277 1.87307 1.88302 1.88354 1.94667 1.93204 1.94266 1.87312 1.88346 1.88303 1.93204 1.94657 1.94276 1.87307 1.88301 1.88353 1.94664 1.93203 1.94267 1.87313 1.88347 1.88304 1.88078 2.20119 2.20121 3.13645 1.01863 -1.02946 3.14129 -0.00010 3.13621 1.01838 -1.02970 3.14155 -0.00025 -1.09891 3.06177 1.02376 1.10319 -1.01932 -3.05733 -3.13949 1.02119 -1.01682 -3.00456 1.19442 -0.91032 1.06343 -1.02077 -3.12551 -0.98119 -3.06540 1.11305 -1.19223 3.00661 0.91241 1.02298 -1.06136 3.12762 3.06763 0.98328 -1.11091 -1.09945 3.06122 1.02320 1.10264 -1.01988 -3.05790 -3.14001 1.02065 -1.01737 -3.00462 1.19435 -0.91038 1.06338 -1.02084 -3.12557 -0.98126 -3.06548 1.11298 -1.19227 3.00659 0.91238 1.02292 -1.06141 3.12757 3.06758 0.98325 -1.11096 -3.14035 -1.07662 1.07969 -1.00942 1.05432 -3.07256 1.01182 3.07555 -1.05133 -3.14055 -1.07683 1.07953 -1.00960 1.05412 -3.07270 1.01164 3.07536 -1.05146 -0.00002 0.00004 -0.00004 0.00004 0.00006 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00001 0.00001 0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00007 0.00000 0.00005 0.00001 -0.00002 0.00003 0.00000 0.00000 0.00000 0.00003 0.00000 0.00000 0.00000 0.00000 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-0.00013 -0.00012 -0.00012 -0.00012 0.00001 -0.00002 -0.00001 0.00000 -0.00004 -0.00002 0.00001 -0.00002 0.00000 -0.00012 -0.00012 -0.00013 -0.00011 -0.00011 -0.00011 -0.00012 -0.00012 -0.00013 -0.00011 -0.00011 -0.00011 -0.00013 -0.00013 -0.00013 -0.00012 -0.00012 -0.00013 -0.00011 -0.00015 -0.00011 -0.00008 -0.00012 -0.00008 -0.00010 -0.00014 -0.00009 -0.00012 -0.00015 -0.00013 -0.00010 -0.00012 -0.00010 -0.00011 -0.00014 -0.00012 -0.00004 0.00007 -0.00011 0.00007 0.00002 -0.00004 0.00001 0.00000 0.00002 -0.00004 0.00002 0.00000 0.00002 0.00001 -0.00001 0.00000 0.00002 -0.00001 0.00000 0.00001 0.00000 0.00002 0.00000 -0.00002 0.00001 0.00000 0.00002 -0.00002 0.00000 -0.00002 0.00001 0.00000 0.00002 -0.00002 0.00000 0.00002 0.00003 0.00003 0.00002 -0.00009 0.00004 -0.00001 0.00001 0.00004 0.00002 -0.00010 0.00004 -0.00002 0.00000 -0.00002 -0.00002 -0.00001 0.00001 0.00001 0.00003 -0.00002 -0.00002 0.00000 0.00001 0.00001 0.00003 -0.00002 0.00003 0.00005 -0.00002 0.00001 -0.00005 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-0.00051 0.00003 0.00007 -0.00006 0.00008 0.00001 -0.00001 0.00001 0.00000 0.00002 -0.00001 0.00002 0.00001 0.00002 0.00001 0.00001 0.00002 0.00002 0.00001 0.00002 0.00002 0.00000 0.00002 0.00001 0.00000 0.00002 0.00001 0.00002 0.00000 0.00002 0.00000 0.00002 0.00001 0.00002 0.00000 0.00002 -0.00001 0.00001 0.00002 0.00002 -0.00008 0.00004 -0.00002 0.00002 0.00003 0.00002 -0.00009 0.00004 -0.00002 0.00001 -0.00002 -0.00001 -0.00002 0.00003 0.00000 0.00002 -0.00001 -0.00002 -0.00001 0.00003 0.00000 0.00001 -0.00001 0.00000 0.00005 -0.00003 0.00002 -0.00002 -0.00001 -0.00001 0.00009 -0.00005 0.00002 -0.00003 -0.00001 0.00002 -0.00001 0.00000 -0.00001 0.00001 -0.00005 0.00002 0.00004 -0.00001 0.00002 -0.00003 -0.00002 0.00003 -0.00001 -0.00001 -0.00001 0.00001 -0.00005 0.00002 0.00004 0.00000 0.00002 -0.00003 -0.00005 0.00003 0.00001 0.00116 0.00120 0.00120 0.00038 0.00023 0.00118 0.00125 0.00124 0.00024 0.00039 -0.00061 -0.00063 -0.00064 -0.00054 -0.00056 -0.00056 -0.00055 -0.00058 -0.00058 -0.00015 -0.00015 -0.00018 -0.00022 -0.00022 -0.00024 -0.00025 -0.00025 -0.00028 -0.00064 -0.00062 -0.00062 -0.00058 -0.00055 -0.00055 -0.00056 -0.00054 -0.00054 -0.00072 -0.00074 -0.00074 -0.00063 -0.00065 -0.00065 -0.00066 -0.00068 -0.00067 -0.00011 -0.00011 -0.00014 -0.00019 -0.00020 -0.00023 -0.00021 -0.00022 -0.00025 -0.00065 -0.00062 -0.00063 -0.00056 -0.00053 -0.00054 -0.00056 -0.00053 -0.00054 -0.00054 -0.00057 -0.00060 -0.00055 -0.00057 -0.00060 -0.00051 -0.00054 -0.00057 -0.00053 -0.00057 -0.00064 -0.00054 -0.00058 -0.00065 -0.00051 -0.00055 -0.00062 2.83088 2.61138 2.83089 2.61137 2.36992 2.94189 2.92756 2.92751 2.09765 2.94189 2.92755 2.92752 2.09765 2.88990 2.09206 2.09206 2.88990 2.09207 2.09206 2.08694 2.08694 2.08693 2.08695 2.08941 2.09052 2.09040 2.09053 2.08940 2.09039 2.08941 2.09053 2.09040 2.09052 2.08940 2.09040 1.99956 1.99955 1.96221 1.96216 1.84577 1.93782 1.87455 1.87455 1.96220 1.96217 1.84576 1.93782 1.87454 1.87455 1.99153 1.90798 1.90797 1.89272 1.89281 1.86676 1.99153 1.90799 1.90796 1.89272 1.89281 1.86676 1.84990 1.88790 1.88760 1.97051 1.97025 1.89401 1.84990 1.88788 1.88760 1.97050 1.97028 1.89401 1.93202 1.94657 1.94276 1.87307 1.88301 1.88355 1.94662 1.93206 1.94270 1.87311 1.88348 1.88301 1.93203 1.94660 1.94275 1.87306 1.88300 1.88354 1.94659 1.93205 1.94271 1.87312 1.88349 1.88301 1.88073 2.20122 2.20123 3.13761 1.01983 -1.02826 -3.14151 0.00013 3.13739 1.01963 -1.02846 -3.14140 0.00014 -1.09952 3.06113 1.02312 1.10265 -1.01988 -3.05789 -3.14004 1.02061 -1.01740 -3.00471 1.19427 -0.91050 1.06322 -1.02099 -3.12576 -0.98144 -3.06565 1.11277 -1.19288 3.00599 0.91178 1.02241 -1.06191 3.12707 3.06707 0.98275 -1.11146 -1.10017 3.06048 1.02246 1.10201 -1.02053 -3.05855 -3.14067 1.01997 -1.01804 -3.00473 1.19424 -0.91053 1.06319 -1.02103 -3.12579 -0.98147 -3.06569 1.11273 -1.19291 3.00596 0.91175 1.02237 -1.06194 3.12703 3.06702 0.98271 -1.11150 -3.14090 -1.07719 1.07909 -1.00996 1.05374 -3.07317 1.01130 3.07501 -1.05190 -3.14108 -1.07741 1.07889 -1.01014 1.05354 -3.07335 1.01113 3.07481 -1.05208 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000064 0.000009 0.004255 0.000895 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -7.455973e-08 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 1 1 2 2 3 4 4 4 4 5 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 11 12 12 12 13 13 13 8 14 9 14 14 6 10 11 15 7 12 13 16 8 17 18 9 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 1.498 1.3818 1.4981 1.3818 1.2541 1.5568 1.5492 1.5492 1.11 1.5568 1.5492 1.5492 1.11 1.5293 1.1071 1.1071 1.5293 1.1071 1.1071 1.1043 1.1044 1.1043 1.1044 1.1057 1.1062 1.1062 1.1062 1.1057 1.1062 1.1057 1.1063 1.1062 1.1062 1.1057 1.1062 -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 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 8 9 6 6 6 10 10 11 7 7 7 12 12 13 4 4 4 8 8 17 5 5 5 9 9 19 1 1 1 6 6 21 2 2 2 7 7 23 4 4 4 25 25 26 4 4 4 28 28 29 5 5 5 31 31 32 5 5 5 34 34 35 1 1 2 1 2 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 10 11 15 11 15 15 12 13 16 13 16 16 8 17 18 17 18 18 9 19 20 19 20 20 6 21 22 21 22 22 7 23 24 23 24 24 25 26 27 26 27 27 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 2 3 3 114.5667 114.5651 112.4252 112.4226 105.7594 111.0268 107.4049 107.4028 112.4239 112.4231 105.7596 111.0269 107.4048 107.4035 114.107 109.32 109.3194 108.443 108.4502 106.9566 114.1066 109.3206 109.3185 108.4434 108.4501 106.9571 105.9925 108.1686 108.1488 112.9035 112.8861 108.5197 105.9918 108.1679 108.1464 112.9044 112.8876 108.5209 110.6973 111.5292 111.3124 107.3192 107.8888 107.9189 111.5358 110.6979 111.3063 107.3218 107.9142 107.8899 110.698 111.5303 111.312 107.3188 107.8886 107.918 111.5344 110.6974 111.3068 107.3223 107.915 107.89 107.761 126.1189 126.1202 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 14 14 14 8 8 14 14 14 9 9 10 10 10 11 11 11 15 15 15 6 6 6 11 11 11 15 15 15 6 6 6 10 10 10 15 15 15 12 12 12 13 13 13 16 16 16 7 7 7 13 13 13 16 16 16 7 7 7 12 12 12 16 16 16 4 4 4 17 17 17 18 18 18 5 5 5 19 19 19 20 20 1 1 1 1 1 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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 7 7 7 7 7 7 7 7 8 8 8 14 14 9 9 9 14 14 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 7 7 7 7 7 7 7 7 7 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 6 21 22 2 3 7 23 24 1 3 8 17 18 8 17 18 8 17 18 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 9 19 20 9 19 20 9 19 20 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 1 21 22 1 21 22 1 21 22 2 23 24 2 23 24 2 23 179.7054 58.3632 -58.9835 -180.0173 -0.0057 179.6914 58.3489 -58.9975 -180.0024 -0.014 -62.9627 175.4264 58.6571 63.2079 -58.403 -175.1723 -179.8794 58.5098 -58.2595 -172.1488 68.4351 -52.1576 60.9302 -58.4859 -179.0786 -56.2182 -175.6343 63.7729 -68.3099 172.2659 52.2772 58.6124 -60.8117 179.1995 175.7622 56.3381 -63.6507 -62.9936 175.3948 58.6251 63.1765 -58.4351 -175.2048 -179.9096 58.4789 -58.2908 -172.1521 68.4311 -52.1611 60.9273 -58.4896 -179.0817 -56.222 -175.6389 63.7689 -68.3118 172.2646 52.2756 58.6093 -60.8143 179.1968 175.7594 56.3359 -63.6531 -179.929 -61.6858 61.8614 -57.8354 60.4078 -176.0449 57.9727 176.2159 -60.2368 -179.9405 -61.6981 61.8526 -57.846 60.3964 -176.053 57.9628 176.2052 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 180.11589999999995 AuxInfo=1/0/N:10,11,12,13,6,7,8,9,4,5,14,3,1,2/E:(1,2,3,4)(5,6)(7,8)(9,10)(13,14)/CRV:11.3,12.1/rA:36OOO1CCCCCCCCCCC3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s4;s5;s1s6;s2s7;s4;s4;s5;s5;s1s2s3;s4;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.212679 0.000000 2.305176 2.305119 0.000000 3.786758 5.996551 5.199572 0.000000 6.004478 3.795148 5.199473 9.777777 0.000000 2.394667 4.593918 4.214274 1.537212 8.388931 0.000000 4.602361 2.402045 4.214243 8.388923 1.537251 6.955734 0.000000 1.422211 3.529810 2.716431 2.563645 7.262581 1.523890 5.930361 0.000000 3.536914 1.431429 2.716378 7.262571 2.563628 5.930337 1.523908 4.722259 0.000000 4.304573 6.403467 5.289150 1.530498 10.079334 2.510626 8.773803 3.008821 7.552154 0.000000 4.382602 6.484602 5.416213 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0.52064 0.23614 0.51533 0.26786 0.51640 0.26535 0.51578 0.26452 0.51623 0.26999 0.51490 0.26805 0.51562 0.26566 0.51534 0.26761 0.51642 0.26539 0.51576 0.26442 0.51619 0.27017 0.51492 0.26776 0.51559 0.26558 -0.0691 0.0030 0.4309 0.4365 -69.0214 -86.5565 -93.9894 -0.1345 -0.0014 -0.0083 14.1677 -3.3674 -10.8003 -0.1345 -0.0014 -0.0083 -1.2272 -0.0107 14.7950 -0.1108 0.0124 11.4270 -0.0863 0.0083 5.5790 -0.3429 -7471.4969 -448.1370 -399.6789 -4.9144 0.1068 -2.9304 0.0442 -0.0536 0.0056 -1414.0975 -1370.1257 -137.2832 0.0269 0.0434 0.9754 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 180.11589999999995 AuxInfo=1/0/N:10,11,12,13,6,7,8,9,4,5,14,3,1,2/E:(1,2,3,4)(5,6)(7,8)(9,10)(13,14)/CRV:11.3,12.1/rA:36OOO1CCCCCCCCCCC3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s4;s5;s1s6;s2s7;s4;s4;s5;s5;s1s2s3;s4;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.232471 0.000000 2.350596 2.350607 0.000000 3.851084 6.081225 5.293924 0.000000 6.081258 3.851120 5.293933 9.921989 0.000000 2.417648 4.638420 4.257783 1.556782 8.489255 0.000000 4.638452 2.417675 4.257787 8.489251 1.556784 7.019142 0.000000 1.498020 3.613877 2.766045 2.589786 7.401204 1.529262 6.028722 0.000000 3.613916 1.498074 2.766060 7.401216 2.589777 6.028739 1.529256 4.844901 0.000000 4.474878 6.603208 5.527895 1.549189 10.350745 2.581396 8.986467 3.141331 7.812667 0.000000 4.475240 6.601327 5.525252 1.549169 10.349692 2.581342 8.985824 3.143698 7.809564 2.553849 0.000000 6.603416 4.474986 5.528450 10.351115 1.549182 8.986766 2.581373 7.813008 3.141599 10.861805 10.555437 0.000000 6.601156 4.475187 5.524697 10.349302 1.549172 8.985512 2.581353 7.809180 3.143388 10.554643 10.857398 2.553847 0.000000 1.381842 1.381839 1.254102 4.996382 4.996394 3.695248 3.695256 2.423797 2.423819 5.435285 5.433586 5.435560 5.433314 0.000000 4.561046 6.777420 6.257597 1.110018 10.626472 2.143451 9.143707 3.498121 8.171585 2.158908 2.158863 11.112422 11.111577 5.819882 0.000000 6.777457 4.561078 6.257606 10.626473 1.110018 9.143712 2.143457 8.171573 3.498115 11.112033 11.111988 2.158901 2.158875 5.819894 11.256794 0.000000 2.611649 4.673040 4.628623 2.188507 8.459667 1.107068 6.961813 2.153006 6.101139 3.527768 2.809706 8.884241 9.136304 3.917370 2.452601 9.043420 0.000000 2.612935 4.676516 4.633773 2.188495 8.462191 1.107063 6.963779 2.153097 6.105891 2.811769 3.527559 9.139790 8.887627 3.921320 2.450896 9.044720 1.779345 0.000000 4.673065 2.611758 4.628516 8.459518 2.188517 6.961686 1.107068 6.101022 2.153006 8.883885 9.136447 3.527737 2.809981 3.917378 9.043204 2.452407 6.962682 6.732175 0.000000 4.676558 2.612858 4.633882 8.462332 2.188484 6.963905 1.107061 6.105972 2.153089 9.139659 8.887992 2.811474 3.527579 3.921323 9.044926 2.451099 6.732427 6.964249 1.779349 0.000000 2.120222 3.930595 2.699590 2.901102 7.558924 2.207432 6.272236 1.104349 4.999164 3.575140 2.868563 7.751259 8.035894 2.671765 3.879411 8.386507 2.532872 3.098881 6.529285 6.286743 0.000000 2.119976 3.932783 2.707845 2.902191 7.559920 2.207226 6.272427 1.104361 5.003295 2.866891 3.580906 8.043439 7.748156 2.676022 3.878989 8.385904 3.098614 2.531637 6.278836 6.534138 1.792754 0.000000 3.930473 2.120256 2.699353 7.558633 2.901195 6.271963 2.207432 4.998913 1.104343 7.750586 8.036091 3.575738 2.868304 2.671667 8.386142 3.879346 6.529125 6.286361 2.532809 3.098872 5.221448 4.910629 0.000000 3.932912 2.119991 2.708069 7.560175 2.902135 6.272672 2.207240 5.003490 1.104361 8.043230 7.748809 2.867164 3.580327 2.676107 8.386232 3.879090 6.279193 6.534275 3.098629 2.531698 4.911088 5.234232 1.792762 0.000000 5.551741 7.693398 6.530481 2.198466 11.439083 3.536942 10.082562 4.180032 8.890159 1.105665 2.817173 11.917903 11.630075 6.503848 2.476964 12.210479 4.359958 3.786219 9.989409 10.224529 4.476337 3.917157 8.816218 9.082355 0.000000 4.301166 6.285686 4.882812 2.209435 9.909831 2.922122 8.634611 2.908725 7.352368 1.106248 2.810595 10.354865 10.023540 5.019491 3.096083 10.744830 3.926734 3.283557 8.604669 8.875535 3.200623 2.363063 7.195221 7.518250 1.781719 0.000000 4.516119 6.550766 5.725273 2.206657 10.239954 2.791213 8.861243 3.420926 7.782782 1.106188 3.523977 10.900487 10.372214 5.506393 2.536227 10.947628 3.794398 2.568898 8.625036 9.068842 4.124458 3.026847 7.661869 8.160392 1.788165 1.788977 0.000000 4.300085 6.282079 4.878520 2.209501 9.907092 2.921126 8.632283 2.910165 7.347451 2.811689 1.106247 10.023614 10.347866 5.016155 3.096162 10.743110 3.279017 3.926957 8.869701 8.608133 2.361417 3.208272 7.507677 7.193159 3.171248 2.615166 3.829502 0.000000 5.551828 7.691461 6.527349 2.198457 11.437742 3.537023 10.081725 4.181389 8.886903 2.816219 1.105665 11.630697 11.912923 6.501905 2.477692 12.210209 3.785450 4.359789 10.221006 9.993495 3.917436 4.480534 9.074866 8.814448 2.627910 3.168149 3.836161 1.781748 0.000000 4.518345 6.549298 5.722871 2.206555 10.240035 2.791919 8.861948 3.426211 7.779357 3.523937 1.106180 10.373048 10.897312 5.505369 2.535259 10.949385 2.567190 3.793611 9.068276 8.630597 3.034483 4.132250 8.153009 7.657856 3.836337 3.829149 4.383436 1.788916 1.788170 0.000000 7.693578 5.551834 6.530939 11.439417 2.198469 10.082830 3.536936 8.890454 4.180225 11.917826 11.630867 1.105666 2.817158 6.504073 12.210838 2.476992 9.989762 10.224620 4.359935 3.786030 8.816850 9.082491 4.476828 3.917327 12.971248 11.381757 11.947298 11.072055 12.699861 11.453639 0.000000 6.285855 4.301239 4.883418 9.910177 2.209447 8.634880 2.922080 7.352695 2.908991 10.354878 10.024286 1.106252 2.810641 5.019753 10.745191 3.096093 8.604907 8.875708 3.926827 3.283098 7.195788 7.518559 3.201471 2.363112 11.381853 9.764641 10.463642 9.403286 11.072470 9.897739 1.781719 0.000000 6.551163 4.516323 5.726248 10.240657 2.206645 8.861820 2.791201 7.783440 3.421408 10.900834 10.373352 1.106187 3.523972 5.506910 10.948367 2.536186 8.625658 9.069177 3.794235 2.568562 7.662952 8.160922 4.125186 3.027604 11.947747 10.463955 10.990499 9.898053 11.453921 10.078185 1.788162 1.788971 0.000000 6.281902 4.300037 4.877884 9.906691 2.209483 8.631967 2.921131 7.347051 2.909823 10.022835 10.347821 2.811642 1.106243 5.015862 10.742692 3.096155 8.869483 8.607851 3.279430 3.926830 7.507350 7.192581 2.361343 3.207416 11.071282 9.402547 9.896959 9.754976 11.374136 10.457240 3.171162 2.615166 3.829470 0.000000 7.691315 5.551790 6.526877 11.437381 2.198451 10.081441 3.537025 8.886559 4.181150 11.629896 11.912992 2.816231 1.105663 6.501677 12.209824 2.477682 10.220903 9.993131 3.785633 4.359810 9.074734 8.813825 3.917272 4.480055 12.699063 11.071718 11.452749 11.374253 12.965762 11.943686 2.627909 3.168234 3.836152 1.781749 0.000000 6.548958 4.518202 5.721913 10.239329 2.206565 8.861376 2.791929 7.778675 3.425712 10.371930 10.896983 3.523940 1.106182 5.504872 10.948642 2.535297 9.067943 8.629983 2.567514 3.793772 8.152507 7.656812 3.033755 4.131554 11.452493 9.896698 10.076726 10.456978 11.943262 10.988533 3.836344 3.829181 4.383434 1.788924 1.788171 0.000000 2.2512317 0.1685554 0.1679205 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= 175 175 175 175 175 MxSgAt= 36 MxSgA2= 36. 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 36 36 36 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 36 36 36 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 36 36 36 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 36 36 36 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 36 36 36 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 36 36 36 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 36 36 36 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= 8256 NPrTT= 40830 LenC2= 6907 LenP2D= 21947. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 184 RedAO= T EigKep= 4.47D-03 NBF= 184 NBsUse= 184 1.00D-06 EigRej= -1.00D+00 NBFU= 184 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= 175 175 175 175 175 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 0 1 -656.740435888037 -656.766076563271 -0.025640675234 -657.060544595105 -0.294468031834 -656.831855063727 0.228689531378 -657.141186532265 -0.309331468537 -657.180132333783 -0.038945801518 -657.181088879419 -0.000956545637 -657.181168886960 -0.000080007541 -657.181172268689 -0.000003381729 -657.181440274846 -0.000268006157 -657.181439965570 0.000000309277 -657.181440582925 -0.000000617355 -657.181440589693 -0.000000006768 -657.181440613379 -0.000000023686 -657.181440614322 -0.000000000943 -657.181440614366 -0.000000000044 -657.181440614364 0.000000000002 -657.181440614 17 6.547857409007e+02 -3.364406113622e+03 1.136820491591e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=148136828. IVT= 122398 IEndB= 122398 NGot= 402653184 MDV= 257682077 LenX= 257682077 LenY= 257647780 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= 17020 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -2.72051672e-02 1.16343973e-03 1.69548168e-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 8 8 8 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 -0.022446134 0.000659733 0.029662306 0.015644128 -0.000606022 0.027778262 -0.000269002 -0.000075180 -0.044774513 -0.008224134 -0.002877650 -0.007899868 0.008191123 0.002911198 -0.007980660 -0.003530105 0.002328710 0.008036450 0.004079798 -0.002349288 0.008088279 0.026280088 -0.000128941 -0.011082970 -0.022629304 0.000110520 -0.008659315 0.009424491 -0.004813549 0.000874377 0.004106075 0.004427450 0.002774236 -0.009339322 0.004811128 0.000939423 -0.003931553 -0.004482344 0.002743235 0.002437055 0.000099169 0.026715389 0.003663841 -0.000600078 0.005917087 -0.003661085 0.000630249 0.005964813 -0.001746919 0.006650447 0.002502336 -0.000777104 -0.006514488 0.002160760 0.001687440 -0.006682275 0.002547790 0.000738841 0.006551551 0.002167118 0.001458731 0.003936001 -0.007047402 0.001789940 -0.003660210 -0.006822437 -0.001246160 -0.003782713 -0.006878326 -0.001551187 0.003461380 -0.006656564 0.006445041 -0.001694750 -0.002941665 -0.004129907 0.000888211 -0.004952169 -0.002221977 -0.006675142 0.002355910 -0.004265055 0.000170097 -0.005370569 0.006214963 0.000793025 -0.002636281 -0.001098795 0.007009907 0.003040041 -0.006458462 0.001688383 -0.002968279 0.004123783 -0.000903461 -0.004994097 0.002215720 0.006680162 0.002345608 0.004217571 -0.000193292 -0.005327310 -0.006271769 -0.000776767 -0.002650708 0.001079350 -0.006991173 0.003029715 0.044774513 0.008843070 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -657.193057544780 -657.193073992990 -0.000016448210 -657.193073924211 0.000000068779 -657.193074018406 -0.000000094195 -657.193074031542 -0.000000013136 -657.193074032502 -0.000000000960 -657.193074032552 -0.000000000050 -657.193074032555 -0.000000000003 -657.193074033 8 6.538779211979e+02 -3.330456953670e+03 1.120535703938e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=148136828. IVT= 122398 IEndB= 122398 NGot= 402653184 MDV= 257682077 LenX= 257682077 LenY= 257647780 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= 17020 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (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 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 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 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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 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 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 O 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 H 1S|2S|16 H 1S|2S|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 1.13240 0.85927 0.95431 0.88918 0.96543 1.27973 1.17208 0.15490 0.45910 0.37539 1.13240 0.85927 0.95432 0.88919 0.96542 1.27973 1.17207 0.15492 0.45910 0.37539 1.13254 0.85918 0.97499 0.85541 1.29335 1.05966 1.02714 0.44160 0.41076 0.22647 1.17436 0.81422 0.72388 0.55561 0.86188 0.85096 0.88505 0.08440 0.00069 0.08489 1.17436 0.81422 0.72388 0.55561 0.86188 0.85096 0.88505 0.08440 0.00069 0.08490 1.17429 0.81420 0.72458 0.63315 0.85508 0.93313 0.87718 0.05372 0.21154 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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 O O O 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 -0.241799 -0.241808 -0.281101 -0.035951 -0.035954 -0.408585 -0.408580 -0.317520 -0.317522 -0.709936 -0.709635 -0.709917 -0.709652 0.308655 0.207992 0.207995 0.218125 0.218259 0.218135 0.218253 0.240745 0.240722 0.240772 0.240708 0.214861 0.210787 0.216341 0.210643 0.214851 0.216316 0.214864 0.210772 0.216339 0.210657 0.214850 0.216318 0.00000 -1.08363289e-04 6.65642612e-05 1.60469267e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.0003 0.0002 0.4079 0.4079 -67.5787 -86.5069 -94.2119 -0.0798 0.0002 -0.0108 15.1871 -3.7411 -11.4461 -0.0798 0.0002 -0.0108 0.0254 -0.0824 17.9515 0.0124 -0.0206 9.9342 0.0139 -0.0291 6.3043 -0.0032 -7824.2074 -462.7688 -397.8693 12.7962 -0.0408 14.8382 0.0232 -0.0436 -0.0162 -1474.8638 -1437.0610 -138.7397 0.0346 -0.0151 4.7997 0 -657.193074 5.129E-9 1.527E-5 11.2912643,-2.7813865,-8.5098778,-0.0593654,0.000155,-0.0080061 C01 [X(C11H22O3)] -0.0001084 0.0000666 0.1604693 @ 0.000047474 0.000021847 0.000027395 -0.000065089 -0.000009677 0.000015835 -0.000001351 0.000009519 -0.000063928 -0.000025529 -0.000005874 -0.000024514 0.000027002 0.000004812 -0.000023903 0.000012716 0.000002674 0.000030267 -0.000014554 -0.000002970 0.000030709 -0.000023167 -0.000009054 0.000017769 0.000042725 0.000015265 0.000028384 0.000017907 -0.000006804 0.000001580 0.000013023 0.000007917 0.000009895 -0.000018222 0.000007912 0.000001110 -0.000013234 -0.000008129 0.000009702 0.000002044 -0.000025861 0.000002995 0.000004702 0.000001522 0.000013357 -0.000004376 -0.000002140 0.000013059 0.000004744 -0.000000076 -0.000008176 -0.000000122 -0.000004171 -0.000005847 -0.000005044 -0.000000328 -0.000007939 0.000000845 0.000003600 -0.000005484 0.000004034 0.000004908 -0.000006372 0.000000803 0.000007074 -0.000016533 -0.000002165 -0.000005860 -0.000006144 -0.000003881 -0.000007162 -0.000018066 -0.000008084 0.000004967 0.000003873 -0.000005459 -0.000002064 -0.000005126 -0.000003139 0.000000296 0.000000397 -0.000003680 -0.000003248 -0.000008683 -0.000004927 -0.000000341 0.000002824 -0.000001344 0.000001114 -0.000000729 0.000008283 -0.000004931 0.000003985 0.000004563 0.000002820 -0.000004956 0.000003133 -0.000000508 0.000000772 0.000003703 0.000003612 -0.000008767 0.000004303 0.000000385 0.000002485 0.000001364 -0.000001046 -0.000001228 180.11589999999995 AuxInfo=1/0/N:10,11,12,13,6,7,8,9,4,5,14,3,1,2/E:(1,2,3,4)(5,6)(7,8)(9,10)(13,14)/CRV:11.3,12.1/rA:36OOO1CCCCCCCCCCC3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s4;s5;s1s6;s2s7;s4;s4;s5;s5;s1s2s3;s4;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2075 CBGUSER 000074913 EM64L-G09RevD.01 6-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 102 C1[X(C11H22O3)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 180.11589999999995 0 1 AuxInfo=1/0/N:10,11,12,13,6,7,8,9,4,5,14,3,1,2/E:(1,2,3,4)(5,6)(7,8)(9,10)(13,14)/CRV:11.3,12.1/rA:36OOO1CCCCCCCCCCC3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s4;s5;s1s6;s2s7;s4;s4;s5;s5;s1s2s3;s4;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-20242.inp" -scrdir="/scratch/" chk=000074913-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 000074913 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 16 16 16 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 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 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 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 (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| 0.000066 0.000015 0.015048 0.005061 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -3.229404e-07 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 898.8502928579 184 424 184 56 56 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 36 36 36 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 0 180.11589999999995 AuxInfo=1/0/N:10,11,12,13,6,7,8,9,4,5,14,3,1,2/E:(1,2,3,4)(5,6)(7,8)(9,10)(13,14)/CRV:11.3,12.1/rA:36OOO1CCCCCCCCCCC3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s4;s5;s1s6;s2s7;s4;s4;s5;s5;s1s2s3;s4;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.232471 0.000000 2.350595 2.350607 0.000000 3.851085 6.081225 5.293923 0.000000 6.081258 3.851120 5.293933 9.921989 0.000000 2.417649 4.638420 4.257783 1.556782 8.489255 0.000000 4.638452 2.417676 4.257788 8.489252 1.556784 7.019143 0.000000 1.498020 3.613876 2.766044 2.589786 7.401204 1.529262 6.028723 0.000000 3.613916 1.498075 2.766061 7.401216 2.589777 6.028739 1.529256 4.844901 0.000000 4.474878 6.603208 5.527896 1.549189 10.350745 2.581396 8.986467 3.141332 7.812668 0.000000 4.475240 6.601326 5.525251 1.549169 10.349692 2.581341 8.985824 3.143698 7.809564 2.553849 0.000000 6.603415 4.474986 5.528449 10.351115 1.549182 8.986766 2.581373 7.813008 3.141598 10.861804 10.555436 0.000000 6.601156 4.475187 5.524697 10.349301 1.549172 8.985512 2.581352 7.809179 3.143388 10.554642 10.857397 2.553847 0.000000 1.381842 1.381838 1.254102 4.996383 4.996393 3.695249 3.695256 2.423797 2.423819 5.435286 5.433586 5.435560 5.433313 0.000000 4.561045 6.777420 6.257596 1.110018 10.626471 2.143451 9.143708 3.498120 8.171585 2.158908 2.158863 11.112421 11.111576 5.819882 0.000000 6.777457 4.561078 6.257606 10.626473 1.110019 9.143712 2.143456 8.171573 3.498115 11.112033 11.111988 2.158901 2.158875 5.819894 11.256794 0.000000 2.611649 4.673040 4.628623 2.188507 8.459667 1.107068 6.961814 2.153007 6.101139 3.527768 2.809705 8.884241 9.136304 3.917371 2.452601 9.043420 0.000000 2.612934 4.676515 4.633773 2.188496 8.462191 1.107063 6.963779 2.153097 6.105891 2.811769 3.527559 9.139790 8.887626 3.921320 2.450896 9.044720 1.779345 0.000000 4.673065 2.611758 4.628516 8.459518 2.188516 6.961687 1.107068 6.101022 2.153007 8.883886 9.136447 3.527736 2.809981 3.917377 9.043204 2.452406 6.962683 6.732175 0.000000 4.676558 2.612858 4.633882 8.462332 2.188484 6.963905 1.107061 6.105971 2.153088 9.139659 8.887991 2.811474 3.527579 3.921322 9.044925 2.451099 6.732427 6.964248 1.779349 0.000000 2.120222 3.930595 2.699590 2.901102 7.558924 2.207432 6.272237 1.104349 4.999165 3.575141 2.868563 7.751258 8.035894 2.671766 3.879411 8.386507 2.532872 3.098882 6.529285 6.286742 0.000000 2.119975 3.932782 2.707845 2.902191 7.559920 2.207226 6.272427 1.104361 5.003295 2.866891 3.580905 8.043438 7.748156 2.676022 3.878988 8.385904 3.098614 2.531637 6.278837 6.534138 1.792754 0.000000 3.930473 2.120256 2.699353 7.558633 2.901195 6.271964 2.207433 4.998912 1.104344 7.750586 8.036090 3.575738 2.868304 2.671666 8.386142 3.879347 6.529126 6.286361 2.532810 3.098872 5.221448 4.910629 0.000000 3.932912 2.119991 2.708069 7.560175 2.902135 6.272672 2.207240 5.003489 1.104361 8.043229 7.748809 2.867164 3.580327 2.676106 8.386232 3.879091 6.279193 6.534274 3.098630 2.531698 4.911088 5.234231 1.792761 0.000000 5.551741 7.693397 6.530481 2.198465 11.439082 3.536942 10.082562 4.180032 8.890159 1.105664 2.817173 11.917902 11.630074 6.503848 2.476964 12.210478 4.359957 3.786219 9.989409 10.224529 4.476337 3.917156 8.816218 9.082354 0.000000 4.301166 6.285686 4.882813 2.209435 9.909831 2.922122 8.634612 2.908725 7.352368 1.106248 2.810594 10.354865 10.023540 5.019492 3.096082 10.744831 3.926734 3.283558 8.604669 8.875535 3.200623 2.363063 7.195222 7.518250 1.781718 0.000000 4.516119 6.550766 5.725273 2.206657 10.239954 2.791213 8.861244 3.420926 7.782783 1.106188 3.523976 10.900487 10.372214 5.506393 2.536227 10.947628 3.794398 2.568898 8.625037 9.068842 4.124458 3.026847 7.661869 8.160392 1.788164 1.788977 0.000000 4.300085 6.282078 4.878519 2.209501 9.907091 2.921126 8.632283 2.910165 7.347451 2.811690 1.106247 10.023613 10.347865 5.016155 3.096162 10.743109 3.279016 3.926958 8.869701 8.608132 2.361417 3.208271 7.507676 7.193158 3.171248 2.615166 3.829502 0.000000 5.551828 7.691460 6.527349 2.198456 11.437741 3.537023 10.081726 4.181390 8.886903 2.816218 1.105665 11.630696 11.912922 6.501905 2.477691 12.210209 3.785450 4.359789 10.221007 9.993495 3.917436 4.480534 9.074866 8.814448 2.627909 3.168148 3.836160 1.781749 0.000000 4.518346 6.549298 5.722871 2.206555 10.240035 2.791919 8.861949 3.426211 7.779357 3.523937 1.106180 10.373048 10.897312 5.505370 2.535259 10.949385 2.567190 3.793611 9.068277 8.630598 3.034483 4.132249 8.153009 7.657856 3.836337 3.829149 4.383435 1.788916 1.788169 0.000000 7.693578 5.551835 6.530939 11.439417 2.198470 10.082831 3.536936 8.890454 4.180225 11.917826 11.630867 1.105667 2.817159 6.504073 12.210838 2.476992 9.989763 10.224620 4.359935 3.786031 8.816850 9.082491 4.476828 3.917328 12.971248 11.381758 11.947299 11.072054 12.699862 11.453640 0.000000 6.285855 4.301240 4.883418 9.910177 2.209446 8.634881 2.922080 7.352695 2.908991 10.354878 10.024286 1.106252 2.810641 5.019752 10.745191 3.096093 8.604907 8.875707 3.926827 3.283098 7.195788 7.518559 3.201471 2.363112 11.381853 9.764641 10.463642 9.403286 11.072470 9.897740 1.781719 0.000000 6.551162 4.516324 5.726247 10.240657 2.206645 8.861820 2.791201 7.783439 3.421407 10.900834 10.373351 1.106188 3.523972 5.506909 10.948366 2.536186 8.625658 9.069177 3.794235 2.568562 7.662952 8.160922 4.125186 3.027604 11.947746 10.463955 10.990499 9.898052 11.453921 10.078185 1.788162 1.788971 0.000000 6.281902 4.300037 4.877884 9.906692 2.209483 8.631967 2.921131 7.347051 2.909823 10.022836 10.347821 2.811641 1.106243 5.015862 10.742692 3.096155 8.869483 8.607851 3.279430 3.926830 7.507351 7.192581 2.361343 3.207416 11.071282 9.402548 9.896959 9.754976 11.374136 10.457241 3.171163 2.615165 3.829470 0.000000 7.691314 5.551790 6.526877 11.437381 2.198451 10.081441 3.537024 8.886559 4.181150 11.629896 11.912991 2.816231 1.105663 6.501676 12.209824 2.477683 10.220903 9.993131 3.785633 4.359810 9.074734 8.813825 3.917272 4.480055 12.699063 11.071718 11.452749 11.374252 12.965762 11.943686 2.627909 3.168234 3.836152 1.781749 0.000000 6.548957 4.518202 5.721913 10.239329 2.206565 8.861376 2.791928 7.778674 3.425712 10.371929 10.896982 3.523939 1.106181 5.504871 10.948641 2.535297 9.067943 8.629983 2.567513 3.793772 8.152507 7.656812 3.033754 4.131553 11.452492 9.896698 10.076726 10.456977 11.943261 10.988533 3.836344 3.829180 4.383434 1.788924 1.788172 0.000000 C11H22O3 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 0 180.11589999999995 AuxInfo=1/0/N:10,11,12,13,6,7,8,9,4,5,14,3,1,2/E:(1,2,3,4)(5,6)(7,8)(9,10)(13,14)/CRV:11.3,12.1/rA:36OOO1CCCCCCCCCCC3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s4;s5;s1s6;s2s7;s4;s4;s5;s5;s1s2s3;s4;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 2.2512320 0.1685554 0.1679205 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= 8256 NPrTT= 40830 LenC2= 6907 LenP2D= 21947. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 184 RedAO= T EigKep= 4.47D-03 NBF= 184 NBsUse= 184 1.00D-06 EigRej= -1.00D+00 NBFU= 184 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= 174 174 174 175 175 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 0 1 -656.771798490577 -656.756545464478 0.015253026099 -657.042658183825 -0.286112719347 -656.730438251300 0.312219932524 -657.158263048832 -0.427824797532 -657.191567771049 -0.033304722217 -657.192530655926 -0.000962884877 -657.192608400466 -0.000077744540 -657.192613362491 -0.000004962025 -657.193073441210 -0.000460078719 -657.193073941486 -0.000000500276 -657.193073936915 0.000000004572 -657.193073983090 -0.000000046175 -657.193073999437 -0.000000016347 -657.193073999788 -0.000000000350 -657.193073999822 -0.000000000035 -657.193073999833 -0.000000000010 -657.193074000 17 6.538779236070e+02 -3.330457038890e+03 1.120535748425e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=148137140. IVT= 122710 IEndB= 122710 NGot= 402653184 MDV= 257681765 LenX= 257681765 LenY= 257647468 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= 17020 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= 36. Will process 37 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111 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= 402652636 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=148024919. 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= 17020 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 111 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 108 vectors produced by pass 0 Test12= 7.17D-15 1.00D-09 XBig12= 1.28D+02 5.12D+00. AX will form 108 AO Fock derivatives at one time. 108 vectors produced by pass 1 Test12= 7.17D-15 1.00D-09 XBig12= 1.01D+02 5.53D+00. 108 vectors produced by pass 2 Test12= 7.17D-15 1.00D-09 XBig12= 8.71D-01 2.12D-01. 108 vectors produced by pass 3 Test12= 7.17D-15 1.00D-09 XBig12= 1.45D-04 1.31D-03. 48 vectors produced by pass 4 Test12= 7.17D-15 1.00D-09 XBig12= 8.96D-09 9.47D-06. 4 vectors produced by pass 5 Test12= 7.17D-15 1.00D-09 XBig12= 7.65D-13 1.18D-07. 1 vectors produced by pass 6 Test12= 7.17D-15 1.00D-09 XBig12= 1.75D-16 1.72D-09. InvSVY: IOpt=1 It= 1 EMax= 1.60D-14 Solved reduced A of dimension 485 with 111 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 132.57 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 172.888 0.051 110.990 -0.001 0.007 113.830 216.400 0.087 169.594 0.000 0.057 210.199 (Enter /mnt/data/applications/G09/g09/l716.exe) PT1382.700S Tue Jun 6 11:48:20 2017 -18.80402 -18.80402 -18.75647 -10.06061 -9.95170 -9.95169 -9.90879 -9.90879 -9.89631 -9.89631 -9.88396 -9.88396 -9.88394 -9.88394 -1.03570 -0.95431 -0.92897 -0.74182 -0.73628 -0.68690 -0.66183 -0.61515 -0.61514 -0.59537 -0.57090 -0.51809 -0.49795 -0.49496 -0.47092 -0.44708 -0.42748 -0.41595 -0.40992 -0.39850 -0.39282 -0.38556 -0.38084 -0.36804 -0.35506 -0.35301 -0.35243 -0.33547 -0.33217 -0.32184 -0.31418 -0.30900 -0.30451 -0.28919 -0.28695 -0.28627 -0.28453 -0.27727 -0.27636 -0.25538 -0.24876 -0.23276 -0.01941 0.02400 0.06174 0.07622 0.09032 0.09970 0.10394 0.10479 0.10797 0.12301 0.12781 0.13590 0.13656 0.13798 0.14605 0.14623 0.15248 0.15310 0.16291 0.16398 0.17252 0.17261 0.18849 0.19154 0.19409 0.19497 0.19522 0.19536 0.20579 0.21321 0.21384 0.21601 0.24189 0.24461 0.24935 0.25189 0.26847 0.27856 0.28264 0.28623 0.28902 0.29637 0.29662 0.31800 0.32582 0.32949 0.34610 0.34735 0.34815 0.34928 0.35421 0.37364 0.38222 0.38301 0.41349 0.43227 0.43643 0.44475 0.44757 0.44770 0.47103 0.47379 0.48418 0.50146 0.50321 0.51556 0.51574 0.53532 0.62182 0.62241 0.67209 0.68196 0.77401 0.78287 0.83596 0.85219 0.85404 0.87042 0.87127 0.88142 0.92722 0.93009 0.94729 0.94740 0.98050 0.98295 0.99739 1.01044 1.04737 1.05205 1.05648 1.05738 1.06010 1.06089 1.08519 1.10932 1.11022 1.12807 1.12990 1.13502 1.18615 1.19094 1.19417 1.20576 1.27055 1.27511 1.31449 1.31603 1.35290 1.36060 1.38847 1.63043 1.69335 1.75772 22.36707 22.46823 22.49220 22.55366 22.55938 22.62541 22.62542 22.64576 22.64593 22.66472 22.66600 41.50048 41.51600 41.53452 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 O O O 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 -0.241799 -0.241807 -0.281101 -0.035950 -0.035954 -0.408585 -0.408580 -0.317520 -0.317522 -0.709938 -0.709634 -0.709918 -0.709651 0.308654 0.207992 0.207994 0.218126 0.218258 0.218136 0.218252 0.240746 0.240722 0.240772 0.240707 0.214861 0.210787 0.216340 0.210643 0.214851 0.216316 0.214864 0.210772 0.216339 0.210657 0.214850 0.216318 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 O O O C C C C C C C C C C C -0.241799 -0.241807 -0.281101 0.172042 0.172041 0.027799 0.027808 0.163947 0.163958 -0.067949 -0.067824 -0.067943 -0.067826 0.308654 0.00000 -1.12489706e-04 -6.68065815e-05 -1.60468083e-01 1.72887871e+02 5.07336607e-02 1.10989658e+02 -6.22879837e-04 7.23309683e-03 1.13830464e+02 -0.0009 -0.0006 0.0005 3.8036 8.2998 17.3188 19.1948 35.5578 46.5119 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 19.1374 35.4633 44.0371 47.6832 51.1425 96.9802 102.3524 120.3183 126.1051 153.5423 182.2141 220.1136 221.3567 234.8388 235.7340 268.6293 284.6627 319.8444 355.3317 355.4027 362.3458 376.8872 456.9275 539.0088 598.5836 662.4820 700.7770 778.2632 779.1947 784.6840 798.3003 879.3841 892.1135 918.5961 918.6467 952.8548 953.0192 966.9261 969.0942 985.9132 986.4644 1007.6543 1022.5006 1050.2556 1139.1196 1142.6256 1150.7046 1152.8591 1183.7369 1194.3485 1196.8212 1213.1359 1215.9875 1281.5239 1282.3714 1286.7476 1287.1961 1333.8778 1333.9279 1339.3042 1343.9733 1382.0234 1383.3902 1383.4354 1390.6419 1401.3371 1401.4274 1461.3897 1461.9549 1466.2772 1466.3387 1479.0928 1479.1204 1482.9025 1483.2183 1487.7594 1487.7715 1491.1244 1491.1934 1616.5775 2969.7747 2969.8033 2971.5898 2971.6243 2974.6464 2974.6771 2993.0828 2993.2798 3013.2541 3013.6377 3043.2161 3043.2544 3064.0291 3064.0496 3068.5100 3068.5380 3071.4648 3071.5438 3073.1396 3073.3776 3085.7362 3086.4132 4.2793 2.4566 5.5565 3.1940 4.4765 1.7947 2.0776 4.1522 2.7497 3.8825 4.1501 1.1366 1.1956 1.0432 1.0440 3.8215 3.6872 5.4125 2.0803 2.0812 2.2171 2.3366 3.3704 2.5281 3.2549 9.9199 10.8809 1.1521 1.1642 3.2332 3.0535 7.2261 6.3291 1.2024 1.2030 1.2656 1.2667 1.9947 2.0816 1.7478 1.7456 2.2182 1.9317 5.2440 2.0491 1.9935 1.7980 1.8342 4.2732 1.9404 2.1263 1.2004 1.1871 1.1138 1.1121 1.5813 1.5597 1.4606 1.4603 1.3126 1.3385 1.4321 1.2087 1.2086 1.4932 1.2219 1.2210 1.0898 1.0899 1.0444 1.0443 1.0543 1.0541 1.0765 1.0769 1.0527 1.0550 1.0550 1.0553 10.2935 1.0801 1.0801 1.0354 1.0354 1.0362 1.0362 1.0639 1.0640 1.0565 1.0566 1.1023 1.1023 1.1000 1.0999 1.1003 1.1003 1.0988 1.0988 1.0988 1.0987 1.1082 1.1083 0.0009 0.0018 0.0063 0.0043 0.0069 0.0099 0.0128 0.0354 0.0258 0.0539 0.0812 0.0324 0.0345 0.0339 0.0342 0.1625 0.1760 0.3262 0.1548 0.1549 0.1715 0.1955 0.4146 0.4328 0.6871 2.5651 3.1483 0.4111 0.4165 1.1729 1.1465 3.2924 2.9678 0.5978 0.5982 0.6770 0.6778 1.0988 1.1518 1.0009 1.0008 1.3270 1.1899 3.4080 1.5666 1.5335 1.4027 1.4363 3.5279 1.6308 1.7945 1.0409 1.0342 1.0777 1.0775 1.5426 1.5226 1.5312 1.5310 1.3872 1.4245 1.6116 1.3628 1.3629 1.7014 1.4137 1.4129 1.3713 1.3724 1.3229 1.3230 1.3589 1.3588 1.3948 1.3959 1.3728 1.3759 1.3821 1.3826 15.8491 5.6128 5.6129 5.3866 5.3867 5.4020 5.4021 5.6157 5.6167 5.6517 5.6541 6.0147 6.0150 6.0844 6.0841 6.1040 6.1040 6.1072 6.1077 6.1141 6.1146 6.2170 6.2204 0.3595 0.0003 0.0009 0.0008 0.7677 0.0001 0.0683 0.4408 9.2139 0.3647 0.0002 0.0472 0.0001 0.2460 0.0057 0.1772 0.7452 34.1205 0.1900 0.0009 0.0123 4.1766 2.1191 6.3268 0.8388 3.4962 19.6204 0.0006 3.8405 0.0775 9.8600 14.3654 142.6754 0.1277 4.9404 0.0000 0.0949 12.6456 0.0019 0.0000 0.0263 0.0843 42.0073 1.3044 112.2647 0.2735 0.0001 12.1512 889.5107 7.6331 122.6588 0.0009 0.2970 0.0012 0.3943 48.4681 1.1173 0.0165 3.1243 2.7510 6.2731 3.2487 1.0527 44.1890 2.5968 4.3635 22.7222 8.7063 0.2318 0.0010 1.6302 0.0267 6.1278 28.1067 11.5784 5.7515 10.4947 8.4502 23.0997 221.7015 22.6168 10.0402 0.0750 79.1107 5.1399 31.1470 0.2712 53.4897 21.9810 29.3754 0.1698 11.5534 0.0269 39.5491 0.0704 22.5846 6.4583 129.3914 202.1221 1.6875 0.0663 85.9503 8 8 8 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 0.00 0.12 0.00 0.00 0.12 0.00 0.00 0.20 0.00 0.00 -0.12 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.12 0.00 0.10 -0.15 0.01 -0.10 -0.15 -0.01 0.10 -0.15 -0.01 -0.10 -0.15 0.01 0.00 0.15 0.00 0.00 -0.16 0.00 0.00 -0.16 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