Gaussian 09 GINC-KIMIK2132 CBGUSER 000051178 EM64L-G09RevD.01 16-May-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 295.0792999999998 0 1 AuxInfo=1/0/N:13,17,19,8,16,9,10,11,12,6,7,15,20,18,14,2,1,4,5,3/E:(6,7)(8,9)(10,11)/CRV:2.3,3.3,5.3,12.3,13.3,14.3,15.3,20.1/rA:38ClClO1NNCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;s6s7;s4s6;s4s7;s5s6;s5s7;s4;s3s5;s14;s15;s15;s1s16;s17;s2s18s19;s6;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s16;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-27557.inp" -scrdir="/scratch/" chk=000051178.chk nprocshared=8 mem=31GB #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 000051178 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 35 35 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 2 2 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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 1 2 3 4 4 4 5 5 5 6 6 6 6 7 7 7 7 8 8 9 9 10 10 11 11 12 12 13 13 13 14 15 15 16 16 17 17 18 19 19 18 20 14 9 10 13 11 12 14 8 9 11 21 8 10 12 22 23 24 25 26 27 28 29 30 31 32 33 34 35 15 16 17 18 36 19 37 20 20 38 1.729 1.7287 1.2298 1.4701 1.4702 1.46 1.474 1.4675 1.3992 1.5284 1.545 1.5408 1.0969 1.5287 1.5449 1.5393 1.0969 1.0967 1.0967 1.0984 1.0972 1.0971 1.0984 1.0925 1.0971 1.0971 1.0954 1.0957 1.0959 1.0955 1.467 1.3925 1.3925 1.3948 1.088 1.3948 1.0868 1.3949 1.3949 1.0871 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 9 9 10 11 11 12 8 8 8 9 9 11 8 8 8 10 10 12 6 6 6 7 7 23 4 4 4 6 6 25 4 4 4 7 7 27 5 5 5 6 6 29 5 5 5 7 7 31 4 4 4 33 33 34 3 3 5 14 14 16 15 15 18 15 15 19 1 1 16 17 17 20 2 2 18 4 4 4 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 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 10 13 13 12 14 14 9 11 21 11 21 21 10 12 22 12 22 22 7 23 24 23 24 24 6 25 26 25 26 26 7 27 28 27 28 28 6 29 30 29 30 30 7 31 32 31 32 32 33 34 35 34 35 35 5 15 15 16 17 17 18 36 36 19 37 37 16 20 20 20 38 38 18 19 19 112.0885 111.1543 111.1783 116.2716 124.7258 118.8363 109.1993 109.4494 109.1819 112.2454 108.3258 108.3871 109.2267 109.1798 109.1877 112.433 108.3463 108.4153 107.5108 110.679 110.4756 110.6985 110.4647 107.0413 112.6803 110.2013 109.4035 108.761 108.5883 107.0346 112.75 109.4024 110.1711 108.5786 108.7276 107.0361 112.7769 111.5656 106.2293 109.4517 109.6807 106.9159 112.9619 106.4376 110.4333 109.7785 110.0512 106.9439 110.5514 112.1706 110.574 108.3661 106.6293 108.3547 125.8071 116.2073 117.9847 119.821 119.842 120.3368 119.8389 119.7326 120.4285 119.8264 120.7143 119.4593 117.8049 122.2035 119.9915 120.006 119.0137 120.9802 122.1776 117.8221 120.0004 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 10 10 10 13 13 13 9 9 9 13 13 13 9 9 9 10 10 10 12 12 12 14 14 14 11 11 11 14 14 14 11 11 12 12 9 9 9 11 11 11 21 21 21 8 8 8 11 11 11 21 21 21 8 8 8 9 9 9 21 21 21 10 10 10 12 12 12 22 22 22 8 8 8 12 12 12 22 22 22 8 8 8 10 10 10 22 22 22 3 3 5 5 14 14 17 17 14 14 16 16 15 15 36 36 15 15 37 37 1 1 16 16 17 17 38 38 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 9 9 9 9 9 9 10 10 10 10 10 10 13 13 13 13 13 13 11 11 11 11 11 11 12 12 12 12 12 12 14 14 14 14 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 6 25 26 6 25 26 7 27 28 7 27 28 33 34 35 33 34 35 6 29 30 6 29 30 7 31 32 7 31 32 3 15 3 15 7 23 24 7 23 24 7 23 24 4 25 26 4 25 26 4 25 26 5 29 30 5 29 30 5 29 30 6 23 24 6 23 24 6 23 24 4 27 28 4 27 28 4 27 28 5 31 32 5 31 32 5 31 32 16 17 16 17 18 36 18 36 19 37 19 37 1 20 1 20 20 38 20 38 2 19 2 19 2 18 2 18 52.8228 -68.8585 173.7189 177.9292 56.2479 -61.1747 -52.7347 -173.6638 68.9302 -177.8278 61.2431 -56.163 58.3198 -62.754 176.1709 -176.0651 62.8611 -58.214 -45.3331 -168.9967 74.8419 139.4254 15.7618 -100.3996 45.7497 -74.7922 169.4752 -138.7143 100.7439 -14.9887 -179.9953 -0.3529 4.8759 -175.4817 60.6578 -178.3291 -59.9497 -62.5788 58.4344 176.8137 178.9292 -60.0576 58.3217 -57.521 64.9729 -178.8818 64.0374 -173.4687 -57.3234 -176.327 -53.8331 62.3122 53.4843 178.3096 -64.6869 -67.9309 56.8944 173.8979 172.4693 -62.7054 54.2981 -60.5484 178.4507 60.0659 62.7644 -58.2365 -176.6213 -178.864 60.1351 -58.2497 57.3111 178.709 -65.1673 -64.0486 57.3492 173.473 176.1515 -62.4506 53.6732 -54.1631 64.4536 -178.0989 67.2235 -174.1598 -56.7124 -173.0168 -54.4001 63.0474 89.814 -90.3181 -89.8628 90.0052 179.8576 -0.048 -0.0097 -179.9152 -179.8689 0.066 -0.0017 179.9332 179.9364 0.0103 -0.1587 179.9152 0.0124 179.9757 -179.9234 0.04 0.0773 -179.9224 -180.0 0.0004 179.9886 -0.0117 0.026 -179.9743 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 228 228 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 38 38 38 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= 13530 NPrTT= 66902 LenC2= 11905 LenP2D= 37956. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 252 RedAO= T EigKep= 5.66D-04 NBF= 252 NBsUse= 252 1.00D-06 EigRej= -1.00D+00 NBFU= 252 Using GEDIIS/GDIIS optimizer. local minimum Step number 15 out of a maximum of 228 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00267 0.00598 0.00756 0.00895 0.00915 0.01162 0.01282 0.01313 0.01832 0.01914 0.02140 0.02157 0.02158 0.02162 0.02168 0.02177 0.02193 0.02324 0.02940 0.03370 0.03666 0.03787 0.04235 0.04562 0.04808 0.04821 0.04879 0.04971 0.05351 0.05564 0.05638 0.05743 0.06118 0.06465 0.06861 0.07031 0.07147 0.07397 0.07545 0.08231 0.08736 0.09285 0.09356 0.09487 0.09582 0.09738 0.09870 0.10620 0.13501 0.14830 0.15899 0.15970 0.16001 0.16029 0.16122 0.16255 0.17267 0.18076 0.19699 0.20334 0.22527 0.23608 0.24613 0.24977 0.25006 0.25200 0.25511 0.26375 0.27363 0.27487 0.27678 0.28296 0.28812 0.29590 0.31462 0.32509 0.33433 0.33843 0.33881 0.33991 0.34010 0.34015 0.34028 0.34034 0.34050 0.34057 0.34112 0.34149 0.34176 0.34245 0.34455 0.34551 0.34648 0.34847 0.35159 0.35192 0.35430 0.36441 0.37553 0.41963 0.42441 0.42922 0.45738 0.46756 0.46879 0.48935 0.51942 0.87528 RFO step: Lambda=-1.47595902D-07. 1 2 0.00113437 0.00000080 0.00000066 0.00000051 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 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 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 3.43564 3.42324 2.41297 2.79947 2.81164 2.79102 2.80002 2.79389 2.62294 2.92435 2.92114 2.93582 2.09367 2.92338 2.92977 2.92748 2.09373 2.09317 2.09236 2.12252 2.09427 2.09192 2.12271 2.07993 2.10357 2.10080 2.08343 2.08908 2.11543 2.08709 2.85236 2.67624 2.67444 2.65727 2.07259 2.66377 2.06741 2.66664 2.66947 2.06702 1.97650 1.95890 1.95037 2.02708 2.18644 2.06106 1.89446 1.90706 1.92085 1.99528 1.88136 1.86412 1.90864 1.90311 1.92061 1.99181 1.87178 1.86685 1.86368 1.93687 1.92552 1.92826 1.93520 1.87514 1.94773 1.94806 1.89024 1.88404 1.92952 1.86269 1.98362 1.88218 1.92920 1.92013 1.87653 1.86914 1.98222 1.90912 1.88865 1.93360 1.87589 1.87024 1.94012 1.92362 1.87247 1.89926 1.95688 1.87025 1.91811 1.97178 1.91511 1.88431 1.88611 1.88617 2.13174 2.08565 2.06333 2.08319 2.10169 2.08997 2.09235 2.07243 2.11739 2.09692 2.08538 2.10074 2.06513 2.11725 2.10079 2.09306 2.10961 2.08048 2.11830 2.07225 2.09261 0.91251 -1.19735 3.04031 3.14097 1.03111 -1.01441 -0.86296 -2.99650 1.24879 -3.09586 1.05378 -0.98411 0.97771 -1.12793 3.04936 -3.06320 1.11434 -0.99156 -0.80153 -2.97154 1.27972 2.48399 0.31398 -1.71795 0.84383 -1.26350 2.98904 -2.43088 1.74498 -0.28567 2.79001 -0.42752 -0.20511 2.86054 1.11673 -3.06396 -0.98768 -1.06965 1.03284 3.10912 -3.11134 -1.00884 1.06744 -1.05220 1.09461 3.12601 1.08139 -3.05500 -1.02359 -3.13229 -0.98549 1.04592 0.90693 3.06365 -1.18159 -1.21976 0.93696 2.97491 2.98418 -1.14229 0.89566 -1.05562 3.11957 1.04259 1.13327 -0.97473 -3.05170 -3.10739 1.06780 -1.00917 0.94075 3.05317 -1.20026 -1.19594 0.91647 2.94623 3.02296 -1.14781 0.88195 -1.01052 1.11109 -3.10638 1.12919 -3.03238 -0.96666 -3.08690 -0.96528 1.10043 2.18024 -0.82264 -0.88748 2.39283 -3.02971 0.06402 -0.02588 3.06784 3.04224 -0.08118 0.03989 -3.08352 3.13199 -0.00421 0.03953 -3.09668 -0.02375 3.12718 3.09951 -0.03275 0.01802 -3.11559 -3.12913 0.02045 -3.14024 -0.00642 -0.00782 3.12599 -0.00002 -0.00006 -0.00011 0.00002 0.00003 0.00002 0.00005 -0.00002 0.00006 0.00000 0.00001 -0.00002 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00003 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00003 0.00009 -0.00006 -0.00003 0.00003 0.00004 0.00000 0.00002 -0.00002 0.00000 -0.00001 0.00000 0.00000 -0.00002 0.00007 -0.00005 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00002 0.00000 0.00001 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 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00002 -0.00001 0.00001 -0.00004 0.00001 0.00003 -0.00006 0.00006 0.00000 0.00000 -0.00003 0.00003 0.00000 0.00002 -0.00002 0.00001 -0.00001 0.00000 0.00001 -0.00002 0.00001 0.00000 0.00000 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0.00024 0.00024 0.00007 0.00007 -0.00001 -0.00016 -0.00016 -0.00024 -0.00044 -0.00024 -0.00027 0.00055 0.00076 0.00073 0.00015 0.00003 0.00014 -0.00077 -0.00089 -0.00078 -0.00138 -0.00153 -0.00036 -0.00051 -0.00019 -0.00025 -0.00023 -0.00011 -0.00017 -0.00015 -0.00013 -0.00018 -0.00017 0.00032 0.00032 0.00044 0.00028 0.00029 0.00040 0.00022 0.00022 0.00034 0.00040 0.00015 0.00025 0.00033 0.00008 0.00018 0.00042 0.00017 0.00027 -0.00010 -0.00008 -0.00009 -0.00015 -0.00013 -0.00014 0.00001 0.00004 0.00003 0.00034 0.00023 0.00025 0.00032 0.00020 0.00022 0.00030 0.00018 0.00020 0.00013 0.00027 0.00012 0.00008 0.00023 0.00008 0.00001 0.00015 0.00000 0.00005 0.00003 0.00021 0.00019 0.00004 0.00005 0.00009 0.00010 -0.00010 -0.00010 -0.00008 -0.00008 -0.00012 -0.00005 -0.00012 -0.00004 0.00002 0.00004 0.00002 0.00004 -0.00001 0.00006 -0.00008 -0.00002 0.00010 0.00003 0.00008 0.00001 -0.00001 -0.00019 -0.00018 0.00010 0.00009 0.00008 0.00011 -0.00007 0.00009 0.00004 0.00004 -0.00008 -0.00002 0.00003 0.00003 -0.00002 -0.00004 0.00000 0.00000 -0.00007 -0.00001 0.00000 -0.00003 -0.00005 0.00001 0.00000 0.00000 -0.00002 -0.00006 0.00002 0.00009 0.00025 -0.00020 -0.00011 0.00014 0.00012 0.00000 0.00001 -0.00006 0.00000 -0.00013 -0.00014 -0.00023 -0.00009 0.00004 -0.00002 0.00010 -0.00007 -0.00003 -0.00003 -0.00002 0.00005 -0.00003 0.00002 -0.00002 -0.00007 -0.00008 0.00018 -0.00001 0.00001 0.00002 -0.00003 0.00005 -0.00004 0.00010 -0.00008 -0.00009 0.00004 -0.00004 0.00006 0.00011 0.00002 -0.00006 -0.00015 0.00009 -0.00001 -0.00010 -0.00005 0.00001 0.00007 0.00007 0.00001 -0.00002 -0.00001 0.00003 0.00008 -0.00003 -0.00005 -0.00004 -0.00011 0.00006 0.00014 -0.00014 0.00010 -0.00003 0.00012 -0.00011 -0.00065 0.00057 0.00006 -0.00007 -0.00036 0.00043 -0.00005 0.00026 -0.00021 0.00001 -0.00006 0.00004 0.00004 -0.00015 0.00011 0.00003 -0.00001 -0.00002 -0.00017 -0.00024 -0.00021 -0.00071 -0.00078 -0.00076 0.00000 0.00011 0.00014 0.00049 0.00060 0.00064 0.00006 -0.00001 -0.00010 -0.00043 -0.00050 -0.00059 -0.00042 -0.00040 -0.00039 0.00011 0.00013 0.00014 0.00023 0.00016 0.00021 -0.00025 -0.00032 -0.00027 -0.00055 -0.00077 -0.00001 -0.00023 -0.00012 -0.00016 -0.00019 -0.00011 -0.00015 -0.00018 -0.00010 -0.00014 -0.00017 0.00014 0.00013 0.00021 0.00010 0.00009 0.00017 0.00013 0.00012 0.00019 0.00033 0.00024 0.00034 0.00028 0.00019 0.00028 0.00029 0.00020 0.00029 0.00003 0.00004 0.00008 -0.00007 -0.00005 -0.00002 0.00015 0.00017 0.00020 0.00013 0.00012 0.00007 0.00018 0.00017 0.00013 0.00005 0.00004 -0.00001 0.00000 0.00002 -0.00001 -0.00008 -0.00005 -0.00009 -0.00010 -0.00007 -0.00010 -0.00128 -0.00113 -0.00106 -0.00091 0.00014 0.00028 0.00003 0.00017 -0.00021 -0.00033 0.00000 -0.00012 0.00000 0.00000 -0.00013 -0.00012 -0.00005 -0.00004 0.00007 0.00009 -0.00013 -0.00006 -0.00013 -0.00006 0.00015 0.00008 0.00014 0.00007 3.43563 3.42305 2.41278 2.79956 2.81173 2.79110 2.80014 2.79381 2.62303 2.92438 2.92118 2.93574 2.09365 2.92341 2.92980 2.92746 2.09370 2.09317 2.09236 2.12246 2.09426 2.09193 2.12267 2.07987 2.10358 2.10080 2.08343 2.08905 2.11537 2.08711 2.85245 2.67649 2.67424 2.65716 2.07274 2.66389 2.06741 2.66665 2.66941 2.06702 1.97637 1.95876 1.95014 2.02699 2.18648 2.06104 1.89456 1.90699 1.92082 1.99525 1.88134 1.86417 1.90861 1.90313 1.92059 1.99174 1.87170 1.86703 1.86367 1.93688 1.92555 1.92823 1.93525 1.87510 1.94783 1.94798 1.89016 1.88408 1.92948 1.86275 1.98372 1.88220 1.92914 1.91998 1.87662 1.86912 1.98212 1.90907 1.88866 1.93367 1.87596 1.87025 1.94009 1.92361 1.87251 1.89934 1.95686 1.87020 1.91806 1.97166 1.91517 1.88445 1.88597 1.88627 2.13171 2.08577 2.06322 2.08254 2.10226 2.09003 2.09228 2.07207 2.11783 2.09686 2.08565 2.10053 2.06514 2.11720 2.10083 2.09310 2.10947 2.08059 2.11833 2.07223 2.09260 0.91234 -1.19759 3.04010 3.14026 1.03033 -1.01517 -0.86296 -2.99640 1.24894 -3.09537 1.05439 -0.98347 0.97776 -1.12795 3.04925 -3.06363 1.11385 -0.99214 -0.80194 -2.97194 1.27933 2.48410 0.31410 -1.71782 0.84407 -1.26334 2.98925 -2.43113 1.74466 -0.28594 2.78947 -0.42829 -0.20512 2.86031 1.11660 -3.06412 -0.98788 -1.06976 1.03270 3.10895 -3.11144 -1.00899 1.06726 -1.05206 1.09474 3.12622 1.08148 -3.05491 -1.02343 -3.13216 -0.98537 1.04611 0.90726 3.06389 -1.18125 -1.21948 0.93715 2.97519 2.98447 -1.14209 0.89595 -1.05559 3.11961 1.04267 1.13321 -0.97478 -3.05172 -3.10723 1.06797 -1.00897 0.94088 3.05329 -1.20018 -1.19576 0.91665 2.94636 3.02301 -1.14777 0.88194 -1.01052 1.11111 -3.10639 1.12912 -3.03244 -0.96675 -3.08699 -0.96536 1.10033 2.17896 -0.82377 -0.88854 2.39192 -3.02957 0.06430 -0.02586 3.06801 3.04202 -0.08151 0.03989 -3.08364 3.13199 -0.00421 0.03940 -3.09680 -0.02380 3.12714 3.09958 -0.03267 0.01789 -3.11565 -3.12926 0.02039 -3.14009 -0.00634 -0.00769 3.12606 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000107 0.000018 0.007710 0.001134 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -2.136018e-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 1 2 3 4 4 4 5 5 5 6 6 6 6 7 7 7 7 8 8 9 9 10 10 11 11 12 12 13 13 13 14 15 15 16 16 17 17 18 19 19 18 20 14 9 10 13 11 12 14 8 9 11 21 8 10 12 22 23 24 25 26 27 28 29 30 31 32 33 34 35 15 16 17 18 36 19 37 20 20 38 1.8181 1.8115 1.2769 1.4814 1.4879 1.4769 1.4817 1.4785 1.388 1.5475 1.5458 1.5536 1.1079 1.547 1.5504 1.5492 1.108 1.1077 1.1072 1.1232 1.1082 1.107 1.1233 1.1006 1.1132 1.1117 1.1025 1.1055 1.1194 1.1044 1.5094 1.4162 1.4153 1.4062 1.0968 1.4096 1.094 1.4111 1.4126 1.0938 -DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-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 = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 9 9 10 11 11 12 8 8 8 9 9 11 8 8 8 10 10 12 6 6 6 7 7 23 4 4 4 6 6 25 4 4 4 7 7 27 5 5 5 6 6 29 5 5 5 7 7 31 4 4 4 33 33 34 3 3 5 14 14 16 15 15 18 15 15 19 1 1 16 17 17 20 2 2 18 4 4 4 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 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 10 13 13 12 14 14 9 11 21 11 21 21 10 12 22 12 22 22 7 23 24 23 24 24 6 25 26 25 26 26 7 27 28 27 28 28 6 29 30 29 30 30 7 31 32 31 32 32 33 34 35 34 35 35 5 15 15 16 17 17 18 36 36 19 37 37 16 20 20 20 38 38 18 19 19 113.2453 112.2365 111.7479 116.1431 125.2736 118.09 108.5444 109.2665 110.0564 114.3212 107.7939 106.8064 109.3569 109.0402 110.0429 114.1223 107.2448 106.9624 106.7809 110.9745 110.3244 110.4813 110.8786 107.4374 111.5965 111.6158 108.3029 107.9474 110.5533 106.7242 113.6529 107.8409 110.5348 110.0156 107.5172 107.0936 113.5731 109.3844 108.2116 110.7868 107.4805 107.1566 111.1606 110.2151 107.2847 108.8198 112.1212 107.1575 109.8994 112.9745 109.7275 107.9629 108.066 108.0698 122.1397 119.4987 118.22 119.3581 120.4179 119.7465 119.8827 118.7413 121.3176 120.1445 119.4836 120.3636 118.3232 121.3098 120.3663 119.9233 120.8719 119.2027 121.3695 118.7311 119.898 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-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 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 10 10 10 13 13 13 9 9 9 13 13 13 9 9 9 10 10 10 12 12 12 14 14 14 11 11 11 14 14 14 11 11 12 12 9 9 9 11 11 11 21 21 21 8 8 8 11 11 11 21 21 21 8 8 8 9 9 9 21 21 21 10 10 10 12 12 12 22 22 22 8 8 8 12 12 12 22 22 22 8 8 8 10 10 10 22 22 22 3 3 5 5 14 14 17 17 14 14 16 16 15 15 36 36 15 15 37 37 1 1 16 16 17 17 38 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 9 9 9 9 9 9 10 10 10 10 10 10 13 13 13 13 13 13 11 11 11 11 11 11 12 12 12 12 12 12 14 14 14 14 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 6 25 26 6 25 26 7 27 28 7 27 28 33 34 35 33 34 35 6 29 30 6 29 30 7 31 32 7 31 32 3 15 3 15 7 23 24 7 23 24 7 23 24 4 25 26 4 25 26 4 25 26 5 29 30 5 29 30 5 29 30 6 23 24 6 23 24 6 23 24 4 27 28 4 27 28 4 27 28 5 31 32 5 31 32 5 31 32 16 17 16 17 18 36 18 36 19 37 19 37 1 20 1 20 20 38 20 38 2 19 2 19 2 18 2 52.2832 -68.603 174.1971 179.9645 59.0783 -58.1215 -49.4439 -171.687 71.5505 -177.3795 60.3774 -56.3851 56.0185 -64.6257 174.7152 -175.5086 63.8472 -56.8119 -45.924 -170.2566 73.3224 142.3221 17.9895 -98.4314 48.3481 -72.393 171.2595 -139.2791 99.9798 -16.3677 159.856 -24.495 -11.7521 163.8969 63.9838 -175.552 -56.5901 -61.2866 59.1776 178.1395 -178.2665 -57.8023 61.1596 -60.2864 62.7163 179.1073 61.9588 -175.0385 -58.6475 -179.467 -56.4643 59.9266 51.9633 175.5342 -67.7 -69.8869 53.684 170.4498 170.9807 -65.4484 51.3174 -60.4825 178.738 59.7363 64.9317 -55.8478 -174.8495 -178.04 61.1804 -57.8213 53.9011 174.9337 -68.7697 -68.5224 52.5101 168.8068 173.2027 -65.7647 50.5319 -57.8986 63.6607 -177.9823 64.698 -173.7426 -55.3856 -176.8661 -55.3067 63.0503 124.9186 -47.1338 -50.8486 137.099 -173.5895 3.668 -1.483 175.7745 174.3072 -4.6512 2.2857 -176.6728 179.4499 -0.2413 2.2647 -177.4264 -1.3606 179.1742 177.5886 -1.8766 1.0323 -178.5102 -179.2859 1.1716 -179.9224 -0.3678 -0.4482 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 295.0792999999998 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1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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 0.74382 1.22404 0.97452 1.00963 1.09075 0.91885 1.80258 1.78389 1.80222 0.22693 0.22837 0.22741 0.92596 0.68898 0.91633 0.91964 0.55012 0.94651 0.74382 1.22404 0.97448 1.00975 1.09016 0.91802 1.78571 1.80274 1.80026 0.22830 0.22685 0.22760 0.71141 0.92882 0.89110 0.58581 0.91636 0.90893 1.13246 0.85922 0.97081 0.85001 1.29973 1.04960 1.05340 0.43629 0.36737 0.22342 1.15934 0.83091 0.83043 0.73410 1.10833 0.98089 0.94149 0.25545 0.12740 0.07181 1.15920 0.83108 0.82272 0.67720 0.96451 1.14116 0.97222 0.08550 0.37075 0.06295 1.17428 0.81408 0.72135 0.57837 0.86298 0.85916 0.91437 0.02131 0.00638 0.14900 1.17427 0.81409 0.72108 0.58168 0.89816 0.86957 0.86940 0.09800 0.02818 0.03996 1.17424 0.81417 0.72156 0.62621 0.89006 0.91553 0.87952 0.15248 0.23810 0.09729 1.17430 0.81415 0.73056 0.63377 0.94578 0.90188 0.80001 0.24645 0.13141 0.04817 1.17430 0.81416 0.73084 0.63397 0.84326 0.87024 0.93461 0.13334 0.07779 0.21502 1.17428 0.81416 0.73133 0.64850 0.94157 0.92681 0.78536 0.15291 0.18044 0.06396 1.17425 0.81420 0.73034 0.64252 0.78892 0.90352 0.96970 0.03130 0.15301 0.21646 1.17424 0.81427 0.73707 0.67371 0.94827 0.83010 0.92504 0.21990 0.11351 0.19498 1.17439 0.81391 0.78908 0.23384 0.89930 0.78646 0.86064 0.11557 0.16374 0.06357 1.17427 0.81381 0.76070 0.38312 0.91937 0.92039 0.80593 -0.07370 -0.21169 0.15284 1.17432 0.81392 0.75036 0.53100 0.89738 0.93271 0.81284 0.08170 0.15970 0.21157 1.17433 0.81399 0.75188 0.53843 0.89890 0.94209 0.79834 0.06731 0.21773 0.20047 1.17433 0.81388 0.74387 0.63181 0.93500 0.80307 0.87028 0.01340 -0.07027 0.17945 1.17435 0.81404 0.75378 0.49856 0.91738 0.90623 0.80923 0.10062 0.00493 0.21741 1.17432 0.81392 0.74361 0.64456 0.80806 0.94274 0.86046 -0.03177 0.01501 0.18080 0.51985 0.26438 0.52000 0.26685 0.51945 0.25904 0.51892 0.25110 0.52083 0.28496 0.52059 0.25982 0.51984 0.25179 0.52100 0.29035 0.51793 0.23921 0.52024 0.25509 0.51991 0.25827 0.51175 0.22786 0.51677 0.25655 0.51813 0.28898 0.51623 0.24954 0.51198 0.20441 0.51783 0.22582 0.51479 0.22444 -4.5004 -0.0804 3.8749 5.9393 -130.2779 -128.1775 -137.7417 -6.1015 0.5657 -8.1224 1.7879 3.8882 -5.6760 -6.1015 0.5657 -8.1224 -217.2635 -79.9382 3.1822 -51.1776 -54.5820 -7.6656 -58.2655 -7.5364 5.3165 -5.0176 -7372.5018 -1780.2341 -948.3884 -270.5076 -55.9641 -219.4159 -3.1018 -73.8651 -3.9164 -1479.1928 -1358.6271 -477.4145 -2.7050 -9.7799 -65.7501 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 295.0792999999998 AuxInfo=1/0/N:13,17,19,8,16,9,10,11,12,6,7,15,20,18,14,2,1,4,5,3/E:(6,7)(8,9)(10,11)/CRV:2.3,3.3,5.3,12.3,13.3,14.3,15.3,20.1/rA:38ClClO1NNCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;s6s7;s4s6;s4s7;s5s6;s5s7;s4;s3s5;s14;s15;s15;s1s16;s17;s2s18s19;s6;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s16;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.299015 0.000000 6.212854 6.805146 0.000000 4.799223 7.379893 4.500102 0.000000 5.623931 6.959636 2.332953 2.958775 0.000000 5.695246 7.756215 4.850840 2.503961 2.539727 0.000000 6.993547 9.037582 4.164554 2.543275 2.497859 2.483996 0.000000 7.034808 9.118589 5.084577 2.952882 2.931185 1.547498 1.546984 0.000000 4.806623 7.381667 5.222893 1.481414 3.202607 1.545802 2.935352 2.511142 0.000000 6.229920 8.644419 4.508257 1.487856 3.100769 2.913325 1.550368 2.527193 2.479537 0.000000 5.401008 6.867655 3.692116 3.086402 1.481709 1.553569 2.922527 2.528811 2.604076 3.548382 0.000000 6.838246 8.361643 2.783061 3.189994 1.478460 2.957498 1.549155 2.521246 3.659759 2.601278 2.512324 0.000000 4.499585 7.427366 5.460753 1.476947 4.294539 3.830540 3.853709 4.307004 2.456003 2.454288 4.449623 4.543306 0.000000 5.291580 6.140921 1.276887 3.682311 1.387998 3.781821 3.675702 4.304367 4.167367 3.988257 2.548982 2.458634 4.745206 0.000000 4.104374 4.636353 2.409731 4.074065 2.487202 4.250686 4.806258 5.190114 4.379177 4.837061 3.008365 3.825123 4.869483 1.509406 0.000000 2.776418 4.124457 3.514539 3.469098 3.048437 4.045451 4.931038 5.197037 3.717537 4.586675 3.216475 4.359326 3.960010 2.525856 1.416203 0.000000 4.636715 4.100820 3.004742 5.485278 3.671458 5.495210 6.101820 6.449486 5.726084 6.227831 4.120551 4.961607 6.213887 2.538575 1.415253 2.448975 0.000000 1.818062 2.816760 4.698002 4.573172 4.421418 5.154827 6.284796 6.441510 4.684483 5.830650 4.400088 5.762293 4.753027 3.816588 2.442805 1.406169 2.819185 0.000000 4.132720 2.781584 4.339742 6.242833 4.873205 6.351586 7.240650 7.485683 6.392578 7.195243 5.094487 6.232939 6.748432 3.830751 2.448180 2.826243 1.409607 2.444176 0.000000 2.821884 1.811501 5.037931 5.863664 5.175802 6.206016 7.318944 7.481736 5.952025 7.027282 5.209247 6.569367 6.125896 4.330000 2.825144 2.444339 2.443176 1.411123 1.412620 0.000000 6.014461 8.006832 5.764581 3.437918 3.449319 1.107922 3.463315 2.190480 2.159568 3.928972 2.153234 3.940358 4.610568 4.636786 4.924270 4.663407 6.047416 5.593845 6.783365 6.583934 0.000000 8.046691 10.091006 4.772042 3.459822 3.425104 3.463294 1.107956 2.189880 3.918224 2.156310 3.937170 2.151498 4.604819 4.515340 5.768634 5.974609 7.017074 7.341607 8.213895 8.355279 4.335048 0.000000 7.810100 9.621865 5.303161 3.989466 3.231288 2.201997 2.195267 1.107659 3.488855 3.499415 2.775078 2.732831 5.385910 4.600173 5.576387 5.803163 6.703099 7.055377 7.808783 7.961986 2.531096 2.544541 0.000000 7.506148 9.845839 6.094542 3.272311 3.974312 2.193394 2.200001 1.107228 2.724788 2.777377 3.499890 3.495721 4.394707 5.321758 6.137028 5.972218 7.437732 7.146429 8.406190 8.278111 2.542477 2.528871 1.785468 0.000000 5.508992 8.278866 6.261550 2.163806 4.208855 2.172804 3.381434 2.746058 1.123191 2.842519 3.545390 4.431494 2.741317 5.251690 5.500679 4.781053 6.842624 5.645882 7.468065 6.948138 2.446260 4.172207 3.737884 2.487461 0.000000 3.863129 6.501472 5.472947 2.110436 3.603487 2.195581 3.931492 3.487753 1.108239 3.417346 2.860328 4.398840 2.676009 4.317555 4.137036 3.222064 5.385524 3.927905 5.830195 5.213555 2.502230 4.963690 4.357348 3.749982 1.790573 0.000000 6.434215 8.726202 4.211343 2.109122 3.405636 3.876724 2.191792 3.492842 3.408505 1.106998 4.214891 2.802969 2.683348 3.973565 4.886650 4.725941 6.218077 5.963699 7.208470 7.101313 4.940094 2.528896 4.352883 3.814067 3.850409 4.203160 0.000000 6.890283 9.524576 5.615747 2.155920 4.142043 3.421468 2.171124 2.812696 2.852520 1.123288 4.386916 3.532190 2.700241 5.101871 5.910536 5.546863 7.312842 6.713149 8.233627 7.974300 4.269906 2.396021 3.802182 2.605171 2.761889 3.848074 1.793940 0.000000 4.547566 5.863089 3.932767 3.395776 2.118835 2.199702 3.884774 3.495164 2.826097 4.219412 1.100649 3.434811 4.544860 2.671878 2.527107 2.535529 3.532003 3.517942 4.286337 4.278993 2.530779 4.946348 3.808251 4.356912 3.826396 2.637279 4.828207 5.070583 0.000000 6.320195 7.464736 4.107516 4.118527 2.113182 2.166020 3.414106 2.799521 3.526297 4.371038 1.113159 2.868727 5.519738 3.110702 3.657825 4.113420 4.520816 5.218970 5.540539 5.838469 2.391878 4.261756 2.590163 3.787981 4.321710 3.809077 5.049065 5.141390 1.781398 0.000000 7.728093 9.026829 3.245720 4.200382 2.134851 3.422687 2.178735 2.774923 4.443157 3.539525 2.888880 1.111697 5.597912 3.059655 4.454281 5.173057 5.412106 6.550276 6.742300 7.230569 4.219716 2.436874 2.523596 3.760972 5.139538 5.189764 3.793448 4.327167 3.884355 2.806432 0.000000 7.061169 8.481965 2.322722 3.556656 2.090448 3.932552 2.213981 3.501833 4.369887 2.855295 3.419295 1.102503 4.702176 2.486676 3.931100 4.547648 4.987730 5.935872 6.285075 6.686159 4.966685 2.533394 3.770928 4.373078 5.156778 5.062689 2.608184 3.816305 4.192013 3.844941 1.781716 0.000000 3.505422 6.587081 5.741488 2.124844 4.622919 4.125527 4.663403 4.930454 2.682176 3.411189 4.609912 5.175530 1.105492 4.913098 4.691594 3.540169 5.940479 4.048466 6.257151 5.449037 4.760617 5.526332 5.974982 5.074730 3.047012 2.424093 3.667055 3.735659 4.437971 5.705981 6.220478 5.380374 0.000000 5.286354 8.365408 6.454595 2.173750 5.129720 4.226094 4.219776 4.520216 2.802575 2.791691 5.143906 5.200898 1.119438 5.741374 5.932203 5.010014 7.291160 5.745500 7.815174 7.140943 4.878906 4.819173 5.627833 4.326627 2.618029 3.137330 3.144959 2.562582 5.320026 6.152265 6.193507 5.423579 1.799602 0.000000 4.850357 7.601126 5.268916 2.121881 4.558772 4.622549 4.149486 4.932886 3.407341 2.680056 5.033257 4.679752 1.104442 4.787597 4.987996 4.195719 6.276181 4.993820 6.839853 6.289949 5.512839 4.773307 5.974911 5.095896 3.771495 3.658550 2.433178 3.003037 5.162946 6.102726 5.776533 4.575752 1.788621 1.799974 0.000000 2.915715 5.003599 3.724660 2.419320 2.816636 3.395516 4.197851 4.487025 2.785961 3.645778 2.950529 3.932852 2.886915 2.707794 2.168481 1.096770 3.433900 2.187116 3.921958 3.445807 4.113756 5.245847 5.243837 5.149073 3.817532 2.390346 3.859636 4.538765 2.501843 4.004588 4.866988 4.173829 2.550608 3.925762 3.224638 0.000000 5.729629 4.959164 2.848134 6.151628 3.924336 5.999798 6.369751 6.781189 6.427748 6.692549 4.521660 5.050377 6.996578 2.741764 2.173460 3.437035 1.094027 3.912580 2.177833 3.437124 6.565536 7.184300 6.888708 7.830792 7.546926 6.214699 6.627450 7.802539 4.114497 4.717732 5.317508 4.998969 6.839584 8.068611 7.002135 4.329427 0.000000 4.989424 2.887490 5.073153 7.329151 5.808065 7.348027 8.229108 8.466515 7.460087 8.247808 6.031284 7.138300 7.833741 4.718065 3.444984 3.919950 2.183059 3.429973 1.093820 2.167879 7.731555 9.176275 8.717350 9.413543 8.533815 6.886128 8.233227 9.299443 5.229407 6.359663 7.560349 7.156096 7.327579 8.903055 7.895854 5.015597 2.524076 0.000000 0.5080660 0.1781075 0.1487571 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= 245 245 245 245 245 MxSgAt= 38 MxSgA2= 38. 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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= 13530 NPrTT= 66902 LenC2= 11973 LenP2D= 38178. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 252 RedAO= T EigKep= 5.86D-04 NBF= 252 NBsUse= 252 1.00D-06 EigRej= -1.00D+00 NBFU= 252 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 247 247 247 247 247 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 0 1 -1685.63033887338 -1684.98505676681 0.645282106570 -1685.70904144879 -0.723984681977 -1685.90339755378 -0.194356104993 -1685.97616855520 -0.072771001417 -1686.01709273123 -0.040924176028 -1686.02493291092 -0.007840179689 -1686.02582740717 -0.000894496252 -1686.02595566571 -0.000128258539 -1686.02595953946 -0.000003873753 -1686.02580387211 0.000155667346 -1686.02580308264 0.000000789477 -1686.02580444464 -0.000001362001 -1686.02580490073 -0.000000456095 -1686.02580504212 -0.000000141383 -1686.02580504703 -0.000000004909 -1686.02580504717 -0.000000000141 -1686.02580504717 0.000000000000 -1686.02580504722 -0.000000000055 -1686.02580505 19 1.680857089849e+03 -7.699916940654e+03 2.467838190513e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=516429059. IVT= 212666 IEndB= 212666 NGot= 4160749568 MDV= 3652417522 LenX= 3652417522 LenY= 3652353577 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= 31878 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -1.77060102e+00 -3.16445141e-02 1.52449493e+00 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 17 17 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.012452365 0.037812008 -0.003788484 0.036423714 0.012793961 0.012594097 -0.019269419 -0.024719055 -0.058196738 0.006290778 -0.004447347 -0.001673422 0.012928923 0.001836163 -0.015403368 0.000071596 0.001995335 -0.005203631 0.003417302 0.003980245 -0.000573480 -0.003403438 0.000258678 0.002265834 0.006735512 -0.008028275 0.001864801 0.004370686 -0.010501949 -0.001979922 -0.000302441 -0.003135934 -0.001763388 -0.003221645 -0.000524322 -0.000453923 0.008486146 -0.002082533 -0.005944005 -0.013644541 0.016811083 0.045386858 -0.000760498 0.006190881 0.015382417 -0.003832496 0.004974990 -0.003459092 0.004708147 -0.009772719 0.004242590 -0.009541731 -0.016882237 -0.001757644 -0.000480486 -0.011302171 0.001229477 -0.013312693 -0.009128335 -0.003492803 0.003357033 0.001739769 0.006156668 -0.004788118 -0.003530118 -0.003924884 -0.000099431 -0.006351623 0.003418437 -0.005235455 0.003954963 0.002364838 -0.011058915 0.008128847 0.008512983 0.005607817 0.004683870 -0.001190089 0.001287779 0.001277848 -0.006745901 -0.014413351 0.006065655 0.004276333 0.006223532 0.001977810 -0.003656241 -0.001164017 -0.005272939 0.011084145 -0.006528036 -0.009281093 0.003473906 0.005896951 0.001001165 -0.005086900 0.005030104 0.003126217 0.002810854 -0.011452216 0.010060831 0.003688281 -0.001730911 -0.001964258 -0.005792972 -0.002292607 0.003778930 -0.001316193 -0.002249563 -0.004911314 0.000359007 0.005493623 -0.000613030 0.002291553 0.058196738 0.011071981 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1686.04865719999 -1686.04867453182 -0.000017331825 -1686.04867428297 0.000000248848 -1686.04867464206 -0.000000359086 -1686.04867467741 -0.000000035356 -1686.04867469218 -0.000000014769 -1686.04867469291 -0.000000000734 -1686.04867469294 -0.000000000021 -1686.04867469295 -0.000000000011 -1686.04867469 9 1.679628918180e+03 -7.704132722384e+03 2.470668250636e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=516429059. IVT= 212666 IEndB= 212666 NGot= 4160749568 MDV= 3652417522 LenX= 3652417522 LenY= 3652353577 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= 31878 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -100.713781 -100.712916 -18.728122 -14.030895 -13.999658 -9.995847 -9.983328 -9.982512 -9.942165 -9.933379 -9.932152 -9.930661 -9.929668 -9.928006 -9.927182 -9.925599 -9.920988 -9.918182 -9.916874 -9.906951 -9.192652 -9.191837 -7.018641 -7.017912 -7.004643 -7.004162 -7.003852 -7.003194 -0.940862 -0.864028 -0.843741 -0.835808 -0.782700 -0.772476 -0.746808 -0.721943 -0.695112 -0.680384 -0.646515 -0.638106 -0.623453 -0.575795 -0.570752 -0.562565 -0.551219 -0.510919 -0.485864 -0.479090 -0.450719 -0.441815 -0.437631 -0.429400 -0.422860 -0.411053 -0.405927 -0.402800 -0.397183 -0.396686 -0.391738 -0.377088 -0.371632 -0.362219 -0.360091 -0.346997 -0.343702 -0.337288 -0.330050 -0.325575 -0.317627 -0.309731 -0.303403 -0.301568 -0.292388 -0.286471 -0.281078 -0.279294 -0.267558 -0.238250 -0.229490 -0.209013 -0.196192 -0.167847 -0.072133 -0.058391 -0.047873 -0.010607 0.012585 0.057181 0.069146 0.079516 0.083230 0.088812 0.093191 0.102325 0.105619 0.111111 0.112193 0.123394 0.126120 0.127946 0.137590 0.145836 0.149610 0.153179 0.158618 0.167400 0.168032 0.172380 0.177573 0.185589 0.191319 0.195134 0.199764 0.203128 0.204462 0.214487 0.217424 0.231340 0.246916 0.250015 0.255842 0.257269 0.263366 0.272631 0.276195 0.288610 0.290280 0.294534 0.303016 0.314983 0.324789 0.334038 0.335591 0.342791 0.349014 0.353883 0.357202 0.362799 0.369908 0.379139 0.385206 0.387834 0.393679 0.400855 0.403972 0.413148 0.424512 0.428174 0.440658 0.443897 0.451171 0.452108 0.454397 0.473003 0.485877 0.496414 0.505167 0.513250 0.524621 0.528008 0.544095 0.546179 0.553779 0.575447 0.575725 0.598404 0.611339 0.631168 0.642590 0.649423 0.659062 0.675603 0.699264 0.713856 0.716582 0.729216 0.745463 0.767062 0.769481 0.792026 0.815764 0.828578 0.847647 0.857704 0.872930 0.886925 0.892734 0.907851 0.928292 0.943813 0.950081 0.957170 0.969923 0.984942 1.005634 1.012008 1.016449 1.038736 1.047212 1.055682 1.066513 1.098958 1.106204 1.116183 1.143225 1.148884 1.163078 1.169759 1.173119 1.178465 1.184337 1.224931 1.225892 1.237400 1.264269 1.282897 1.376162 1.390590 1.408480 1.501134 1.505804 1.532000 1.599439 1.708689 5.851482 5.853608 5.885728 5.891962 5.913836 5.952640 8.744392 8.901095 22.271937 22.460458 22.499638 22.539429 22.553125 22.561047 22.588894 22.595977 22.628891 22.637934 22.644103 22.670368 22.679003 22.695303 22.786331 31.516901 31.535893 41.570158 217.640552 217.814019 137.016879 137.016873 29.117681 22.046052 22.049438 15.956279 15.956040 15.955422 15.957947 15.953367 15.954712 15.957561 15.957984 15.958324 15.952195 15.954498 15.957923 15.957945 15.957292 15.957047 21.398333 21.398240 20.479002 20.478800 20.497795 20.497989 20.497711 20.498122 2.385611 1.851350 1.902377 1.951490 2.768905 2.092342 1.539320 1.448718 1.896190 2.112501 1.517022 1.514766 1.642768 1.615399 1.507441 1.445575 1.626564 1.578468 1.163028 1.346197 1.422746 1.409594 1.277107 1.281891 1.363016 1.511962 1.280269 1.202852 1.380254 1.484184 1.138040 1.170239 1.353285 1.720242 1.409629 1.424570 1.309652 1.371229 1.578271 1.605477 1.487206 1.302967 1.929245 1.421539 1.716290 2.214044 1.469960 1.426259 2.525354 1.535020 1.875661 1.903627 2.313191 1.756105 1.738103 1.507590 2.643624 2.116451 2.910805 1.204723 1.464906 1.309848 1.433543 1.297180 1.529740 1.349927 1.317784 1.166561 1.238158 1.232311 1.174287 1.346162 1.186146 1.625044 1.488000 1.366312 1.574645 1.258415 1.387637 1.437220 1.290424 1.288179 1.306267 1.606293 1.282913 1.448922 1.297330 1.288833 1.552001 1.571798 1.487967 1.667486 1.788551 1.866677 1.215809 1.710436 1.471428 1.683232 1.559769 1.350215 1.812168 1.494862 1.941642 1.674896 1.689424 1.946037 1.624535 2.203370 1.839878 1.707342 1.839332 1.958664 1.849072 2.150546 2.166891 2.165630 2.074718 1.695811 2.349488 1.515079 2.313705 2.291663 2.082370 2.699825 2.122398 2.276796 2.212586 2.247338 2.420219 2.257970 2.694994 2.225148 2.031627 2.077134 2.146308 2.015617 2.383111 2.763712 2.353857 2.753719 3.003831 2.269144 2.887014 2.579254 2.392007 3.121374 2.417476 2.605812 2.627478 2.442527 2.431141 2.054789 2.713891 2.896424 2.660375 2.613512 2.578119 2.943561 2.782071 2.854339 2.871747 2.940024 2.790034 2.962792 2.966010 2.909978 3.042239 2.797089 2.941386 3.050680 2.815253 3.029559 2.823078 3.058390 2.999741 2.977416 2.812563 2.767452 2.813556 2.697778 3.103621 2.789673 2.847735 3.040916 2.960697 2.992472 3.187128 2.918827 2.935772 2.893740 2.968217 3.116993 3.772669 3.297560 3.910009 5.182774 16.521961 16.521546 16.515411 16.576576 16.578461 16.512784 34.834751 34.909337 57.406687 57.409922 57.409792 57.409407 57.409413 57.393754 57.401947 57.399594 57.400739 57.391314 57.401101 57.370013 57.388972 57.397998 57.386557 80.073822 80.071743 105.843836 561.856462 562.045908 1.679628918180D+03 PT5732.100S 2017-05-16T04:37:40.000+02:00 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 Cl Cl O N N C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H 0.019434 0.025853 -0.242318 -0.040138 -0.087290 -0.101289 -0.094399 -0.509155 -0.426487 -0.427528 -0.419304 -0.424214 -0.631085 0.099496 0.354956 -0.365486 -0.403480 -0.094823 -0.196529 -0.151707 0.215764 0.213154 0.221514 0.229979 0.194209 0.219582 0.228372 0.188647 0.242860 0.224672 0.221823 0.260391 0.226677 0.192886 0.234231 0.283613 0.256352 0.260767 0.00000 -9.99585 -9.98333 -9.98251 -9.94217 -9.93338 -9.93215 -9.93066 -9.92967 -9.92801 -9.92718 -9.92560 -9.92099 -9.91818 -9.91687 -9.90695 -9.19265 -9.19184 -7.01864 -7.01791 -7.00464 -7.00416 -7.00385 -7.00319 -0.94086 -0.86403 -0.84374 -0.83581 -0.78270 -0.77248 -0.74681 -0.72194 -0.69511 -0.68038 -0.64652 -0.63811 -0.62345 -0.57579 -0.57075 -0.56256 -0.55122 -0.51092 -0.48586 -0.47909 -0.45072 -0.44182 -0.43763 -0.42940 -0.42286 -0.41105 -0.40593 -0.40280 -0.39718 -0.39669 -0.39174 -0.37709 -0.37163 -0.36222 -0.36009 -0.34700 -0.34370 -0.33729 -0.33005 -0.32558 -0.31763 -0.30973 -0.30340 -0.30157 -0.29239 -0.28647 -0.28108 -0.27929 -0.26756 -0.23825 -0.22949 -0.20901 -0.19619 -0.16785 -0.07213 -0.05839 -0.04787 -0.01061 0.01258 0.05718 0.06915 0.07952 0.08323 0.08881 0.09319 0.10232 0.10562 0.11111 0.11219 0.12339 0.12612 0.12795 0.13759 0.14584 0.14961 0.15318 0.15862 0.16740 0.16803 0.17238 0.17757 0.18559 0.19132 0.19513 0.19976 0.20313 0.20446 0.21449 0.21742 0.23134 0.24692 0.25001 0.25584 0.25727 0.26337 0.27263 0.27620 0.28861 0.29028 0.29453 0.30302 0.31498 0.32479 0.33404 0.33559 0.34279 0.34901 0.35388 0.35720 0.36280 0.36991 0.37914 0.38521 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20 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 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 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 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1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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 0.74384 1.22401 0.97481 1.00992 1.09134 0.92380 1.80355 1.78136 1.80242 0.22716 0.22901 0.22779 0.93471 0.65077 0.91430 0.95788 0.56039 0.97256 0.74384 1.22401 0.97478 1.01001 1.09223 0.92118 1.78584 1.79945 1.80205 0.22861 0.22735 0.22778 0.70864 0.88390 0.90994 0.63054 0.87489 0.96386 1.13253 0.85918 0.97149 0.87338 1.29295 1.02984 1.04829 0.45449 0.32293 0.29304 1.15938 0.83091 0.82891 0.74662 1.09526 1.00631 0.91135 0.26967 0.17492 0.05955 1.15920 0.83107 0.82097 0.69511 0.95493 1.14229 0.97845 0.06492 0.36496 0.09232 1.17431 0.81410 0.72116 0.58187 0.85689 0.85242 0.91060 0.01823 0.00184 0.15422 1.17431 0.81410 0.72058 0.59062 0.89748 0.85760 0.86515 0.10487 0.01382 0.04475 1.17428 0.81419 0.72032 0.64116 0.87723 0.91578 0.86877 0.13784 0.24969 0.09146 1.17435 0.81417 0.72855 0.64989 0.93911 0.89734 0.78978 0.26389 0.12907 0.04191 1.17435 0.81418 0.72951 0.64939 0.83342 0.87448 0.91508 0.12864 0.09435 0.18941 1.17431 0.81419 0.72920 0.67052 0.94630 0.90661 0.78353 0.16832 0.16088 0.07353 1.17430 0.81419 0.73053 0.65331 0.78387 0.90423 0.95322 0.04525 0.14205 0.22518 1.17429 0.81430 0.73467 0.68658 0.93858 0.82519 0.91407 0.21896 0.11776 0.18859 1.17448 0.81400 0.78578 0.26402 0.88008 0.80545 0.81775 0.10655 0.13496 0.08807 1.17436 0.81388 0.75646 0.44288 0.91254 0.90892 0.78248 -0.08924 -0.23005 0.23405 1.17435 0.81380 0.75302 0.55631 0.93958 0.92123 0.76390 0.10646 0.06381 0.21774 1.17439 0.81402 0.75424 0.56270 0.90369 0.95408 0.75223 0.05386 0.21658 0.21510 1.17445 0.81389 0.73894 0.68959 0.94366 0.75763 0.84563 -0.09205 -0.04342 0.24881 1.17438 0.81408 0.75384 0.52289 0.94888 0.89323 0.77352 0.13910 -0.04696 0.22874 1.17446 0.81394 0.74238 0.68259 0.79382 0.91080 0.83914 -0.08068 -0.00062 0.24046 0.51548 0.27565 0.51543 0.27420 0.51460 0.26721 0.51416 0.26187 0.51075 0.29919 0.51634 0.25824 0.51541 0.26332 0.51090 0.30580 0.51507 0.23823 0.51338 0.25778 0.51311 0.26880 0.50846 0.22929 0.51204 0.26087 0.50857 0.29787 0.51249 0.25767 0.50329 0.16934 0.51134 0.21926 0.51052 0.22969 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 Cl Cl O N N C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H -0.029602 -0.008899 -0.278131 -0.082891 -0.104220 -0.085627 -0.083291 -0.490714 -0.428058 -0.402804 -0.427388 -0.426137 -0.612980 0.128863 0.293720 -0.310201 -0.400887 -0.077135 -0.201698 -0.116288 0.208876 0.210366 0.218185 0.223972 0.190066 0.225414 0.221270 0.183302 0.246699 0.228841 0.218084 0.262247 0.227089 0.193556 0.229843 0.327369 0.269396 0.259792 0.00000 -1.72933795e+00 2.09038468e-01 1.18997116e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -4.3955 0.5313 3.0246 5.3620 -125.5602 -136.6531 -134.6508 -8.7949 -1.2921 -8.0539 6.7278 -4.3650 -2.3628 -8.7949 -1.2921 -8.0539 -149.8965 -79.5977 -16.8442 -38.3773 -73.5855 -14.6482 -47.4645 -15.9245 8.1298 1.7363 -6557.5608 -2245.2328 -751.4605 -444.7936 45.6480 -372.4451 -109.5394 49.1722 -84.5977 -1423.5478 -1233.9006 -532.5055 -11.4978 9.7638 -103.8998 0 -1686.0486747 6.396E-9 3.514E-5 5.0019836,-3.2453005,-1.7566831,-6.5387812,-0.9606209,-5.9878853 C01[X(C15H18Cl2N2O1)] -1.7293379 0.2090385 1.1899712 @ -0.000000962 -0.000015175 -0.000023724 -0.000057355 -0.000009002 -0.000023123 -0.000009670 0.000049525 0.000108034 0.000049143 -0.000018681 -0.000017964 -0.000016614 0.000036976 -0.000005440 0.000007160 -0.000003807 0.000004271 -0.000010289 -0.000038213 0.000001818 -0.000003872 0.000000763 0.000010450 -0.000016952 0.000020865 0.000026162 -0.000039908 -0.000008699 -0.000001891 -0.000024947 0.000015736 0.000056282 0.000037010 0.000003987 0.000025445 -0.000035617 0.000038926 -0.000022236 0.000006153 -0.000063077 -0.000125822 0.000098801 -0.000139722 0.000010219 0.000053953 0.000123984 -0.000003238 -0.000087990 0.000024437 0.000005077 -0.000050811 0.000008975 -0.000014337 0.000032774 0.000060176 0.000011016 0.000078621 0.000021657 0.000006433 -0.000000106 0.000017142 -0.000004907 0.000004202 0.000000844 0.000011922 0.000003033 0.000002377 0.000010641 0.000001209 -0.000001365 0.000007282 0.000004782 -0.000001022 -0.000024104 -0.000000469 0.000003300 -0.000019564 -0.000002723 -0.000031681 -0.000001136 0.000007138 -0.000011851 -0.000010123 -0.000020303 0.000000415 0.000006772 0.000006376 0.000009335 0.000020303 0.000012193 -0.000012475 0.000022690 0.000004085 -0.000016359 0.000018268 -0.000006170 -0.000020168 -0.000028769 -0.000009821 -0.000029825 -0.000019583 0.000005151 -0.000017850 -0.000020406 -0.000043244 -0.000006767 -0.000024538 0.000027776 0.000004255 0.000020585 -0.000001739 0.000002066 0.000007237 295.0792999999998 AuxInfo=1/0/N:13,17,19,8,16,9,10,11,12,6,7,15,20,18,14,2,1,4,5,3/E:(6,7)(8,9)(10,11)/CRV:2.3,3.3,5.3,12.3,13.3,14.3,15.3,20.1/rA:38ClClO1NNCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;s6s7;s4s6;s4s7;s5s6;s5s7;s4;s3s5;s14;s15;s15;s1s16;s17;s2s18s19;s6;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s16;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2132 CBGUSER 000051178 EM64L-G09RevD.01 16-May-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 108 C1[X(C15H18Cl2N2O)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 295.0792999999998 0 1 AuxInfo=1/0/N:13,17,19,8,16,9,10,11,12,6,7,15,20,18,14,2,1,4,5,3/E:(6,7)(8,9)(10,11)/CRV:2.3,3.3,5.3,12.3,13.3,14.3,15.3,20.1/rA:38ClClO1NNCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;s6s7;s4s6;s4s7;s5s6;s5s7;s4;s3s5;s14;s15;s15;s1s16;s17;s2s18s19;s6;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s16;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-29111.inp" -scrdir="/scratch/" chk=000051178-Freq.chk nprocshared=8 mem=31GB #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 000051178 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 35 35 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 2 2 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000407 0.000105 0.074318 0.023444 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.404089e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1867.7869265181 252 576 252 82 82 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 38 38 38 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 0 295.0792999999998 AuxInfo=1/0/N:13,17,19,8,16,9,10,11,12,6,7,15,20,18,14,2,1,4,5,3/E:(6,7)(8,9)(10,11)/CRV:2.3,3.3,5.3,12.3,13.3,14.3,15.3,20.1/rA:38ClClO1NNCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;s6s7;s4s6;s4s7;s5s6;s5s7;s4;s3s5;s14;s15;s15;s1s16;s17;s2s18s19;s6;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s16;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.299015 0.000000 6.212854 6.805145 0.000000 4.799223 7.379893 4.500101 0.000000 5.623931 6.959635 2.332953 2.958775 0.000000 5.695246 7.756214 4.850840 2.503962 2.539727 0.000000 6.993547 9.037582 4.164555 2.543275 2.497858 2.483996 0.000000 7.034808 9.118589 5.084577 2.952882 2.931185 1.547498 1.546984 0.000000 4.806623 7.381667 5.222893 1.481414 3.202607 1.545803 2.935352 2.511142 0.000000 6.229920 8.644419 4.508256 1.487856 3.100768 2.913325 1.550367 2.527192 2.479536 0.000000 5.401008 6.867655 3.692116 3.086402 1.481709 1.553569 2.922527 2.528811 2.604076 3.548381 0.000000 6.838245 8.361642 2.783061 3.189993 1.478460 2.957498 1.549155 2.521246 3.659758 2.601278 2.512323 0.000000 4.499585 7.427366 5.460753 1.476947 4.294539 3.830541 3.853709 4.307004 2.456003 2.454288 4.449623 4.543305 0.000000 5.291580 6.140921 1.276887 3.682310 1.387998 3.781821 3.675702 4.304367 4.167367 3.988256 2.548982 2.458633 4.745205 0.000000 4.104373 4.636352 2.409732 4.074065 2.487202 4.250686 4.806258 5.190114 4.379177 4.837061 3.008365 3.825124 4.869483 1.509407 0.000000 2.776418 4.124456 3.514539 3.469098 3.048438 4.045451 4.931038 5.197038 3.717538 4.586676 3.216475 4.359326 3.960010 2.525856 1.416202 0.000000 4.636715 4.100819 3.004743 5.485278 3.671459 5.495210 6.101820 6.449487 5.726084 6.227832 4.120551 4.961607 6.213888 2.538576 1.415253 2.448975 0.000000 1.818063 2.816760 4.698002 4.573173 4.421418 5.154827 6.284797 6.441510 4.684483 5.830650 4.400089 5.762293 4.753028 3.816588 2.442805 1.406169 2.819184 0.000000 4.132720 2.781584 4.339742 6.242833 4.873206 6.351586 7.240650 7.485683 6.392578 7.195242 5.094487 6.232939 6.748432 3.830751 2.448180 2.826242 1.409606 2.444175 0.000000 2.821884 1.811500 5.037931 5.863664 5.175802 6.206016 7.318944 7.481737 5.952025 7.027282 5.209247 6.569366 6.125896 4.330000 2.825143 2.444338 2.443176 1.411122 1.412621 0.000000 6.014460 8.006831 5.764581 3.437918 3.449319 1.107922 3.463315 2.190480 2.159568 3.928971 2.153234 3.940358 4.610568 4.636786 4.924269 4.663406 6.047416 5.593845 6.783365 6.583934 0.000000 8.046691 10.091005 4.772042 3.459821 3.425103 3.463295 1.107955 2.189880 3.918223 2.156310 3.937169 2.151498 4.604819 4.515339 5.768634 5.974609 7.017074 7.341607 8.213894 8.355278 4.335048 0.000000 7.810099 9.621864 5.303161 3.989466 3.231288 2.201997 2.195267 1.107659 3.488855 3.499414 2.775078 2.732831 5.385910 4.600172 5.576387 5.803162 6.703099 7.055377 7.808783 7.961985 2.531096 2.544540 0.000000 7.506148 9.845839 6.094543 3.272311 3.974312 2.193394 2.200002 1.107228 2.724788 2.777377 3.499890 3.495721 4.394708 5.321758 6.137028 5.972218 7.437733 7.146430 8.406190 8.278111 2.542477 2.528871 1.785468 0.000000 5.508992 8.278865 6.261550 2.163806 4.208856 2.172805 3.381435 2.746058 1.123192 2.842519 3.545390 4.431495 2.741317 5.251691 5.500679 4.781054 6.842624 5.645882 7.468065 6.948138 2.446260 4.172207 3.737885 2.487462 0.000000 3.863129 6.501471 5.472947 2.110436 3.603487 2.195581 3.931492 3.487753 1.108239 3.417346 2.860328 4.398840 2.676010 4.317555 4.137035 3.222064 5.385524 3.927905 5.830195 5.213554 2.502230 4.963690 4.357348 3.749982 1.790573 0.000000 6.434215 8.726202 4.211343 2.109122 3.405636 3.876725 2.191792 3.492842 3.408505 1.106999 4.214891 2.802969 2.683348 3.973565 4.886651 4.725942 6.218078 5.963699 7.208470 7.101313 4.940094 2.528897 4.352883 3.814068 3.850410 4.203160 0.000000 6.890282 9.524576 5.615747 2.155920 4.142043 3.421468 2.171124 2.812695 2.852519 1.123288 4.386916 3.532189 2.700241 5.101871 5.910536 5.546863 7.312843 6.713149 8.233627 7.974300 4.269906 2.396022 3.802182 2.605171 2.761889 3.848073 1.793940 0.000000 4.547566 5.863089 3.932767 3.395776 2.118835 2.199702 3.884773 3.495164 2.826097 4.219412 1.100649 3.434811 4.544860 2.671878 2.527106 2.535530 3.532003 3.517942 4.286337 4.278993 2.530779 4.946348 3.808251 4.356912 3.826396 2.637279 4.828207 5.070583 0.000000 6.320195 7.464736 4.107516 4.118528 2.113182 2.166020 3.414107 2.799522 3.526297 4.371038 1.113159 2.868728 5.519739 3.110702 3.657825 4.113420 4.520816 5.218969 5.540539 5.838468 2.391878 4.261756 2.590163 3.787982 4.321710 3.809077 5.049065 5.141391 1.781398 0.000000 7.728092 9.026828 3.245720 4.200381 2.134850 3.422686 2.178735 2.774923 4.443156 3.539525 2.888879 1.111697 5.597912 3.059655 4.454281 5.173057 5.412106 6.550275 6.742299 7.230568 4.219715 2.436874 2.523595 3.760971 5.139537 5.189763 3.793448 4.327167 3.884354 2.806431 0.000000 7.061168 8.481964 2.322722 3.556655 2.090447 3.932552 2.213981 3.501833 4.369886 2.855295 3.419294 1.102502 4.702177 2.486675 3.931100 4.547648 4.987731 5.935872 6.285075 6.686158 4.966685 2.533393 3.770927 4.373078 5.156779 5.062688 2.608185 3.816306 4.192012 3.844940 1.781716 0.000000 3.505421 6.587080 5.741488 2.124844 4.622918 4.125527 4.663403 4.930454 2.682176 3.411189 4.609912 5.175529 1.105492 4.913098 4.691593 3.540169 5.940479 4.048466 6.257151 5.449036 4.760617 5.526332 5.974982 5.074730 3.047012 2.424093 3.667055 3.735659 4.437971 5.705981 6.220477 5.380374 0.000000 5.286354 8.365408 6.454595 2.173750 5.129720 4.226095 4.219776 4.520216 2.802576 2.791691 5.143906 5.200898 1.119438 5.741374 5.932203 5.010015 7.291161 5.745500 7.815175 7.140943 4.878907 4.819173 5.627833 4.326627 2.618030 3.137331 3.144958 2.562581 5.320027 6.152265 6.193506 5.423579 1.799602 0.000000 4.850357 7.601125 5.268916 2.121881 4.558772 4.622549 4.149486 4.932886 3.407341 2.680057 5.033257 4.679751 1.104441 4.787597 4.987996 4.195719 6.276182 4.993820 6.839853 6.289948 5.512838 4.773308 5.974911 5.095897 3.771495 3.658549 2.433178 3.003037 5.162946 6.102726 5.776533 4.575753 1.788621 1.799973 0.000000 2.915715 5.003599 3.724660 2.419320 2.816636 3.395516 4.197851 4.487026 2.785960 3.645778 2.950529 3.932851 2.886915 2.707794 2.168481 1.096770 3.433900 2.187116 3.921958 3.445807 4.113756 5.245847 5.243837 5.149074 3.817532 2.390346 3.859636 4.538765 2.501843 4.004588 4.866988 4.173829 2.550607 3.925762 3.224638 0.000000 5.729629 4.959164 2.848135 6.151628 3.924337 5.999798 6.369751 6.781190 6.427748 6.692549 4.521660 5.050377 6.996579 2.741765 2.173460 3.437036 1.094027 3.912580 2.177832 3.437125 6.565536 7.184300 6.888708 7.830793 7.546927 6.214699 6.627450 7.802540 4.114498 4.717732 5.317508 4.998968 6.839584 8.068612 7.002136 4.329428 0.000000 4.989424 2.887490 5.073154 7.329151 5.808066 7.348026 8.229108 8.466516 7.460087 8.247807 6.031284 7.138300 7.833741 4.718066 3.444984 3.919950 2.183058 3.429972 1.093820 2.167879 7.731554 9.176274 8.717349 9.413544 8.533815 6.886128 8.233227 9.299443 5.229407 6.359663 7.560349 7.156096 7.327578 8.903055 7.895854 5.015597 2.524076 0.000000 C15H18Cl2N2O 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 0 295.0792999999998 AuxInfo=1/0/N:13,17,19,8,16,9,10,11,12,6,7,15,20,18,14,2,1,4,5,3/E:(6,7)(8,9)(10,11)/CRV:2.3,3.3,5.3,12.3,13.3,14.3,15.3,20.1/rA:38ClClO1NNCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;s6s7;s4s6;s4s7;s5s6;s5s7;s4;s3s5;s14;s15;s15;s1s16;s17;s2s18s19;s6;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s16;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5080661 0.1781075 0.1487571 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= 13530 NPrTT= 66902 LenC2= 11973 LenP2D= 38178. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 252 RedAO= T EigKep= 5.86D-04 NBF= 252 NBsUse= 252 1.00D-06 EigRej= -1.00D+00 NBFU= 252 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 247 247 247 247 247 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 0 1 -1685.68261249972 -1684.96786940155 0.714743098175 -1685.61272640234 -0.644857000791 -1685.99174268255 -0.379016280208 -1686.01007229828 -0.018329615739 -1686.04477975127 -0.034707452981 -1686.04788284990 -0.003103098638 -1686.04848189533 -0.000599045426 -1686.04856428161 -0.000082386276 -1686.04857662388 -0.000012342271 -1686.04857999314 -0.000003369266 -1686.04864578351 -0.000065790368 -1686.04864611614 -0.000000332630 -1686.04864565946 0.000000456680 -1686.04864662485 -0.000000965390 -1686.04864669935 -0.000000074500 -1686.04864670361 -0.000000004256 -1686.04864670377 -0.000000000158 -1686.04864670381 -0.000000000042 -1686.04864670378 0.000000000027 -1686.04864670 20 1.679629187520e+03 -7.704133222941e+03 2.470668462199e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=516429475. IVT= 213082 IEndB= 213082 NGot= 4160749568 MDV= 3652417106 LenX= 3652417106 LenY= 3652353161 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= 31878 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= 38. Will process 39 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111 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= 4160748932 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=516227656. 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= 31878 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 117 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 114 vectors produced by pass 0 Test12= 1.39D-14 1.00D-09 XBig12= 3.91D+02 9.07D+00. AX will form 114 AO Fock derivatives at one time. 114 vectors produced by pass 1 Test12= 1.39D-14 1.00D-09 XBig12= 1.03D+02 1.92D+00. 114 vectors produced by pass 2 Test12= 1.39D-14 1.00D-09 XBig12= 5.20D-01 1.06D-01. 114 vectors produced by pass 3 Test12= 1.39D-14 1.00D-09 XBig12= 5.17D-04 1.95D-03. 74 vectors produced by pass 4 Test12= 1.39D-14 1.00D-09 XBig12= 8.21D-08 1.97D-05. 6 vectors produced by pass 5 Test12= 1.39D-14 1.00D-09 XBig12= 8.38D-12 1.91D-07. 2 vectors produced by pass 6 Test12= 1.39D-14 1.00D-09 XBig12= 2.03D-15 3.00D-09. InvSVY: IOpt=1 It= 1 EMax= 1.95D-14 Solved reduced A of dimension 538 with 117 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 194.60 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 253.386 5.829 198.439 3.212 4.859 131.960 409.437 20.027 385.595 10.796 32.298 235.210 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2847.300S 2017-05-16T04:44:02.000+02:00 -100.71377 -100.71291 -18.72813 -14.03090 -13.99965 -9.99587 -9.98333 -9.98251 -9.94216 -9.93338 -9.93215 -9.93066 -9.92967 -9.92800 -9.92719 -9.92560 -9.92098 -9.91818 -9.91687 -9.90694 -9.19264 -9.19183 -7.01863 -7.01791 -7.00463 -7.00415 -7.00385 -7.00319 -0.94087 -0.86402 -0.84374 -0.83581 -0.78270 -0.77248 -0.74680 -0.72195 -0.69511 -0.68038 -0.64652 -0.63811 -0.62345 -0.57579 -0.57075 -0.56256 -0.55122 -0.51092 -0.48585 -0.47909 -0.45072 -0.44182 -0.43763 -0.42940 -0.42286 -0.41105 -0.40593 -0.40280 -0.39718 -0.39668 -0.39174 -0.37709 -0.37163 -0.36222 -0.36009 -0.34700 -0.34371 -0.33729 -0.33005 -0.32558 -0.31763 -0.30973 -0.30340 -0.30157 -0.29239 -0.28647 -0.28108 -0.27929 -0.26756 -0.23825 -0.22949 -0.20902 -0.19620 -0.16784 -0.07214 -0.05839 -0.04787 -0.01061 0.01259 0.05718 0.06914 0.07952 0.08323 0.08880 0.09319 0.10232 0.10562 0.11111 0.11219 0.12337 0.12611 0.12795 0.13759 0.14583 0.14961 0.15318 0.15862 0.16738 0.16803 0.17238 0.17757 0.18555 0.19131 0.19512 0.19975 0.20312 0.20446 0.21446 0.21742 0.23132 0.24688 0.25000 0.25585 0.25727 0.26336 0.27264 0.27620 0.28859 0.29030 0.29452 0.30294 0.31496 0.32479 0.33403 0.33559 0.34279 0.34896 0.35388 0.35720 0.36279 0.36991 0.37914 0.38519 0.38784 0.39368 0.40085 0.40399 0.41312 0.42451 0.42817 0.44066 0.44391 0.45115 0.45209 0.45436 0.47297 0.48590 0.49639 0.50515 0.51326 0.52461 0.52803 0.54408 0.54620 0.55382 0.57549 0.57568 0.59841 0.61133 0.63120 0.64262 0.64942 0.65909 0.67561 0.69926 0.71387 0.71656 0.72920 0.74550 0.76712 0.76949 0.79202 0.81579 0.82854 0.84767 0.85773 0.87296 0.88692 0.89275 0.90786 0.92829 0.94380 0.95008 0.95716 0.96991 0.98493 1.00567 1.01203 1.01646 1.03876 1.04722 1.05569 1.06653 1.09898 1.10621 1.11622 1.14324 1.14888 1.16307 1.16975 1.17312 1.17847 1.18435 1.22491 1.22589 1.23739 1.26425 1.28290 1.37617 1.39059 1.40848 1.50114 1.50578 1.53199 1.59944 1.70868 5.85150 5.85361 5.88573 5.89198 5.91385 5.95265 8.74441 8.90111 22.27193 22.46047 22.49963 22.53943 22.55313 22.56105 22.58889 22.59598 22.62890 22.63793 22.64410 22.67038 22.67901 22.69530 22.78633 31.51689 31.53590 41.57015 217.64056 217.81403 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 Cl Cl O N N C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H -0.029564 -0.008896 -0.278020 -0.082671 -0.103815 -0.085450 -0.082999 -0.490439 -0.428322 -0.403066 -0.427544 -0.426484 -0.613023 0.128356 0.293697 -0.310104 -0.400871 -0.077242 -0.201674 -0.116246 0.208850 0.210331 0.218081 0.223876 0.190130 0.225426 0.221316 0.183286 0.246774 0.228824 0.218111 0.262344 0.227093 0.193562 0.229842 0.327348 0.269383 0.259800 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 Cl Cl O N N C C C C C C C C C C C C C C C -0.029564 -0.008896 -0.278020 -0.082671 -0.103815 0.123400 0.127333 -0.048482 -0.012766 0.001536 0.048054 0.053971 0.037474 0.128356 0.293697 0.017244 -0.131488 -0.077242 0.058126 -0.116246 0.00000 -1.69201476e+00 5.68510517e-01 1.12419564e+00 2.53386316e+02 5.82914590e+00 1.98438694e+02 3.21202888e+00 4.85883860e+00 1.31960475e+02 -14.9514 -11.9766 -4.5217 -0.0015 -0.0012 0.0017 32.0482 35.6955 46.2472 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 31.3402 35.5096 46.1077 67.5083 101.2174 127.3919 155.9695 159.4268 183.1775 211.4707 243.3779 245.0901 282.9935 295.4222 303.5968 322.9102 336.6397 342.7512 360.5887 381.2114 398.9026 413.9443 422.3588 454.0279 476.3450 493.9864 514.0658 591.6142 641.8114 655.6430 668.2771 686.5116 732.9112 737.9759 779.1131 803.9295 809.5339 833.2900 887.4999 899.4751 915.5633 922.9298 954.5085 961.3322 967.3889 979.0838 986.1917 990.5428 1007.7062 1054.6930 1070.3017 1098.8426 1107.4481 1119.5097 1120.9321 1127.0022 1130.3508 1138.8242 1148.8535 1160.7176 1199.9401 1238.0154 1249.6977 1257.4128 1262.1637 1270.3923 1295.2865 1318.2476 1326.8464 1329.6339 1337.8641 1354.0297 1356.8118 1362.9098 1368.8425 1376.8889 1380.7556 1409.4475 1435.3599 1458.8768 1461.1753 1466.1395 1467.0958 1475.0883 1478.8249 1484.9205 1488.8844 1546.0874 1564.8055 1592.3160 2814.4993 2825.7694 2864.0188 2929.2714 2948.2763 2974.4245 2994.8676 3003.3847 3009.0153 3014.9001 3018.6696 3036.7094 3075.2701 3077.4735 3087.6051 3114.4979 3157.3450 3176.4366 5.1952 9.1979 6.0559 6.0883 5.3643 2.9002 7.1403 3.3945 23.8782 4.9789 1.3892 3.1903 4.2143 5.1632 3.2739 2.1309 3.4370 5.2774 2.6104 2.1038 2.8781 6.2125 2.7812 3.2123 4.1069 6.3559 3.0877 5.4550 6.2181 6.7346 4.8112 6.5693 4.2727 4.6027 5.6191 3.5656 2.6993 1.4739 2.8693 1.6218 1.6026 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