Gaussian 09 GINC-KIMIK2063 CBGUSER 000274284 EM64L-G09RevD.01 12-Mar-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 284.1821999999998 0 1 AuxInfo=1/0/N:15,12,10,11,8,9,18,19,20,21,13,14,17,7,22,16,5,6,2,3,4,1/E:(3,4)(5,6)(7,8)(9,10)(20,21)/CRV:7.3,8.3,9.3,10.3,13.3,15.3,16.3,19.1,20.1,21.1/rA:44OO1O1O1NNCCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s3s4;s5;s7;s7;s8;s9;s10s11;s5;s1s13;s14;s1s2;s16;s17;s17;s18;s19;s6s20s21;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s5;s13;s13;s14;s15;s15;s15;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-31374.inp" -scrdir="/scratch/" chk=000274284.chk nprocshared=4 mem=3GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000274284 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 16 16 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 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 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 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 1 1 2 3 4 5 5 5 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 13 14 14 15 15 15 16 17 17 18 18 19 19 20 20 21 21 14 16 16 6 6 7 13 34 22 8 9 23 10 24 25 11 26 27 12 28 29 12 30 31 32 33 14 35 36 15 37 38 39 40 17 18 19 20 41 21 42 22 43 22 44 1.4877 1.3658 1.2112 1.2191 1.2193 1.5022 1.4907 1.0258 1.4874 1.5451 1.5447 1.1207 1.5331 1.1076 1.1047 1.5345 1.105 1.1081 1.5352 1.1062 1.1068 1.5352 1.1063 1.107 1.1056 1.1072 1.541 1.1123 1.1116 1.5137 1.112 1.1026 1.0976 1.096 1.4932 1.4035 1.4019 1.3956 1.0959 1.3961 1.0955 1.402 1.0961 1.4017 1.096 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 14 7 7 13 3 3 4 5 5 5 8 8 9 7 7 7 10 10 24 7 7 7 11 11 26 8 8 8 12 12 28 9 9 9 12 12 30 10 10 10 11 11 32 5 5 5 14 14 35 1 1 1 13 13 15 14 14 14 38 38 39 1 1 2 16 16 18 17 17 20 17 17 21 18 18 22 19 19 22 6 6 20 1 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 16 13 34 34 4 22 22 8 9 23 9 23 23 10 24 25 24 25 25 11 26 27 26 27 27 12 28 29 28 29 29 12 30 31 30 31 31 11 32 33 32 33 33 14 35 36 35 36 36 13 15 37 15 37 37 38 39 40 39 40 40 2 17 17 18 19 19 20 41 41 21 42 42 22 43 43 22 44 44 20 21 21 118.2534 113.0319 110.9142 109.3869 125.1042 117.4611 117.4347 107.6146 109.8806 111.6107 110.4527 108.8539 108.4287 110.7018 109.4104 110.1143 110.3597 110.4926 105.6398 110.4461 110.5652 109.8232 109.8929 109.7028 106.3257 111.3025 109.7486 109.9995 109.8621 109.8166 105.9725 111.3634 109.6863 109.9161 109.8959 109.8199 106.0188 111.29 110.0058 109.6492 109.9544 109.6882 106.1202 107.1337 113.5561 110.327 109.5554 109.8541 106.4092 106.2729 102.8059 107.5571 114.3543 111.9859 112.9685 109.7105 111.8989 112.0003 107.5024 108.2021 107.3467 122.3672 110.618 127.0145 117.9238 121.2081 120.868 119.7605 119.6847 120.5547 119.7334 119.7131 120.5535 118.9317 120.9973 120.0711 118.9767 120.987 120.0363 119.1417 119.1285 121.7298 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 16 16 16 14 14 13 13 13 34 34 34 7 7 7 34 34 34 3 3 4 4 5 5 5 9 9 9 23 23 23 5 5 5 8 8 8 23 23 23 7 7 7 24 24 24 25 25 25 7 7 7 26 26 26 27 27 27 8 8 8 28 28 28 29 29 29 9 9 9 30 30 30 31 31 31 5 5 5 35 35 35 36 36 36 1 1 1 13 13 13 37 37 37 1 1 2 2 16 16 19 19 16 16 18 18 17 17 41 41 17 17 42 42 18 18 43 43 19 19 44 44 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 16 16 16 16 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 14 14 14 16 16 7 7 7 7 7 7 13 13 13 13 13 13 22 22 22 22 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 13 15 37 2 17 8 9 23 8 9 23 14 35 36 14 35 36 20 21 20 21 10 24 25 10 24 25 10 24 25 11 26 27 11 26 27 11 26 27 12 28 29 12 28 29 12 28 29 12 30 31 12 30 31 12 30 31 11 32 33 11 32 33 11 32 33 10 32 33 10 32 33 10 32 33 1 15 37 1 15 37 1 15 37 38 39 40 38 39 40 38 39 40 18 19 18 19 20 41 20 41 21 42 21 42 22 43 22 43 22 44 22 44 6 21 6 21 6 20 6 20 84.3623 -155.1803 -35.7314 -1.7259 178.4294 92.4447 -147.246 -26.9263 -144.2843 -23.9749 96.3448 -158.3819 80.5198 -38.8306 77.5064 -43.5919 -162.9423 -0.0463 179.966 179.9827 -0.005 177.0671 55.2305 -60.456 57.1198 -64.7168 179.5967 -61.8189 176.3445 60.658 -175.7372 62.4106 -54.615 -57.1627 -179.0149 63.9595 62.034 -59.8182 -176.8438 -56.1176 -177.9511 65.83 65.1598 -56.6736 -172.8925 -178.3737 59.7928 -56.426 56.4157 178.2898 -65.5197 178.6637 -59.4622 56.7283 -64.7781 57.0961 173.2866 55.1827 177.3009 -66.3557 176.9503 -60.9315 55.4119 -66.871 55.2472 171.5906 -55.4083 -177.5562 66.1074 -177.1609 60.6912 -55.6452 66.5828 -55.5651 -171.9015 -171.3724 75.9475 -54.1951 -47.778 -160.4582 69.3993 68.7731 -43.9071 -174.0497 -167.8087 -48.5785 72.018 -53.0801 66.15 -173.2535 76.5762 -164.1936 -43.5971 178.8679 -1.2306 -0.9678 178.9337 179.9822 0.0518 0.0804 -179.85 -179.9799 -0.0203 -0.0813 179.8783 -0.0119 -179.9909 179.9178 -0.0612 0.0139 179.9951 -179.9454 0.0358 179.9567 -0.0559 -0.0641 179.9233 -179.9576 0.055 0.061 -179.9264 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 258 264 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 44 44 44 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= 15576 NPrTT= 79134 LenC2= 12044 LenP2D= 37424. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 264 RedAO= T EigKep= 5.68D-04 NBF= 264 NBsUse= 264 1.00D-06 EigRej= -1.00D+00 NBFU= 264 Using GEDIIS/GDIIS optimizer. local minimum Step number 12 out of a maximum of 258 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00217 0.00260 0.00430 0.00473 0.00499 0.00536 0.00543 0.00583 0.00693 0.00835 0.01604 0.01707 0.01744 0.01867 0.01916 0.02056 0.02075 0.02087 0.02100 0.02104 0.02112 0.02115 0.02287 0.03662 0.03891 0.03921 0.03988 0.04213 0.04626 0.04747 0.04817 0.04845 0.05058 0.05252 0.05487 0.05528 0.05536 0.05672 0.05962 0.05972 0.06006 0.06587 0.07793 0.07972 0.08065 0.08079 0.08104 0.08153 0.08393 0.08671 0.08818 0.09201 0.11914 0.12024 0.12069 0.12492 0.14045 0.15570 0.15762 0.15944 0.15997 0.16000 0.16002 0.16020 0.16100 0.17393 0.18174 0.19358 0.20444 0.21306 0.22005 0.22567 0.22957 0.23865 0.24743 0.25000 0.25001 0.25065 0.25207 0.25644 0.26963 0.27326 0.27676 0.28005 0.28579 0.28787 0.29003 0.29716 0.31297 0.31450 0.31890 0.32331 0.32541 0.32598 0.32743 0.32875 0.32889 0.32909 0.32954 0.32981 0.33002 0.33054 0.33101 0.33126 0.33240 0.33362 0.33652 0.33841 0.34080 0.34125 0.34139 0.34172 0.34193 0.34701 0.34883 0.41394 0.41871 0.43409 0.45222 0.45495 0.45664 0.46909 0.52692 0.67506 0.95733 0.98650 RFO step: Lambda=-9.43907821D-09. 1 2 0.00041388 0.00000015 0.00000005 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 2.85121 2.62689 2.37592 2.43888 2.43909 2.81159 2.78946 1.94688 2.81136 2.92752 2.92272 2.11887 2.92416 2.09476 2.09288 2.92341 2.09755 2.09624 2.92407 2.09192 2.09779 2.92449 2.09184 2.09706 2.09231 2.09684 2.92316 2.10669 2.08758 2.88233 2.09142 2.08535 2.08766 2.08488 2.83226 2.68171 2.68187 2.65770 2.06793 2.65958 2.06473 2.66930 2.06501 2.66897 2.06516 2.04257 2.03227 1.93487 1.93680 2.16707 2.05796 2.05815 1.94340 1.90582 1.93974 1.91709 1.88045 1.87604 1.94299 1.88179 1.92931 1.92242 1.91814 1.86739 1.94917 1.91558 1.88988 1.91956 1.91780 1.86994 1.94118 1.91728 1.91044 1.92505 1.90600 1.86215 1.94408 1.91628 1.90792 1.92536 1.90512 1.86321 1.93834 1.92514 1.90425 1.92225 1.90605 1.86621 1.91341 1.97780 1.90158 1.89993 1.89562 1.87363 1.88247 1.85731 1.86854 1.98777 1.90884 1.95310 1.89047 1.93132 1.94441 1.89477 1.90623 1.89592 2.16386 1.95155 2.16772 2.05748 2.12773 2.09797 2.09961 2.06969 2.11388 2.09616 2.07987 2.10715 2.06686 2.12995 2.08637 2.06953 2.12822 2.08544 2.07360 2.07337 2.13622 1.49645 -2.64729 -0.55610 0.02190 -3.13047 1.32570 -2.83756 -0.77090 -2.72148 -0.60155 1.46511 -2.79060 1.36619 -0.71831 1.25751 -0.86888 -2.95338 0.00364 -3.13795 -3.13771 0.00389 3.10524 0.99477 -1.04086 0.99188 -1.11858 3.12897 -1.04669 3.12604 1.09041 -3.12057 1.02908 -1.00671 -0.98477 -3.11831 1.12909 1.05656 -1.07698 -3.11277 -0.98803 -3.12431 1.11966 1.09845 -1.03783 -3.07704 -3.13154 1.01535 -1.02385 0.97235 3.11030 -1.13443 3.10360 -1.04163 0.99682 -1.12520 1.01275 3.05120 0.95761 3.09386 -1.14428 3.08940 -1.05754 0.98750 -1.15269 0.98355 3.02860 -0.94869 -3.08660 1.15214 -3.08140 1.06387 -0.98057 1.15974 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0.00001 0.00003 0.00000 -0.00006 -0.00005 -0.00008 -0.00005 -0.00003 -0.00007 -0.00007 -0.00005 -0.00009 0.00001 -0.00001 0.00002 0.00001 0.00000 0.00002 0.00002 0.00001 0.00003 0.00046 0.00045 0.00038 0.00043 0.00042 0.00035 0.00044 0.00044 0.00037 -0.00013 -0.00015 -0.00017 -0.00014 -0.00016 -0.00018 -0.00004 -0.00007 -0.00009 0.00003 0.00005 0.00011 0.00013 0.00000 -0.00002 -0.00002 -0.00004 -0.00001 -0.00002 0.00002 0.00000 0.00000 0.00001 0.00002 0.00003 0.00000 0.00001 0.00002 0.00002 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00002 -0.00001 0.00002 0.00001 0.00003 0.00003 0.00005 0.00004 -0.00001 0.00003 -0.00003 -0.00002 -0.00003 -0.00001 0.00000 0.00000 0.00003 -0.00001 -0.00001 0.00003 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00003 -0.00001 -0.00005 -0.00001 0.00000 0.00000 0.00001 0.00002 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00002 -0.00005 -0.00005 0.00004 -0.00002 -0.00002 -0.00009 -0.00001 -0.00002 0.00003 0.00006 0.00004 0.00002 -0.00002 -0.00003 0.00000 0.00007 -0.00004 -0.00004 0.00004 0.00002 -0.00001 -0.00002 0.00001 -0.00003 0.00001 0.00004 0.00001 -0.00002 -0.00001 0.00001 -0.00002 0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00002 -0.00003 -0.00002 0.00005 0.00000 0.00000 0.00000 -0.00001 -0.00003 -0.00007 0.00005 0.00005 0.00000 0.00001 0.00001 -0.00001 -0.00003 0.00003 -0.00001 -0.00005 0.00001 0.00004 0.00000 -0.00003 0.00003 -0.00001 -0.00002 0.00003 -0.00001 -0.00001 0.00002 -0.00002 0.00002 0.00000 -0.00003 0.00003 0.00000 -0.00003 -0.00002 0.00005 0.00035 0.00039 0.00033 -0.00013 -0.00007 -0.00024 -0.00027 -0.00025 -0.00039 -0.00042 -0.00039 -0.00012 -0.00008 -0.00010 0.00003 0.00006 0.00004 -0.00009 -0.00009 -0.00003 -0.00003 -0.00003 -0.00003 0.00004 0.00002 0.00002 0.00010 -0.00008 -0.00008 0.00000 0.00011 0.00011 0.00007 0.00000 0.00001 -0.00003 0.00012 0.00012 0.00008 0.00002 0.00001 0.00000 0.00000 0.00000 -0.00002 0.00000 -0.00001 -0.00003 -0.00001 0.00000 -0.00002 0.00001 0.00002 0.00000 0.00001 0.00002 0.00000 -0.00002 -0.00002 -0.00004 -0.00002 -0.00002 -0.00004 -0.00004 -0.00004 -0.00006 -0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00001 0.00001 0.00002 0.00056 0.00057 0.00050 0.00051 0.00052 0.00045 0.00052 0.00053 0.00046 -0.00012 -0.00015 -0.00016 -0.00012 -0.00015 -0.00016 -0.00002 -0.00005 -0.00006 0.00004 0.00004 0.00009 0.00010 -0.00001 -0.00002 -0.00002 -0.00003 0.00001 -0.00001 0.00001 -0.00001 0.00001 0.00001 0.00002 0.00003 0.00000 0.00000 0.00002 0.00002 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 2.85120 2.62691 2.37593 2.43891 2.43912 2.81164 2.78950 1.94688 2.81139 2.92749 2.92270 2.11884 2.92415 2.09476 2.09288 2.92344 2.09754 2.09623 2.92410 2.09192 2.09778 2.92450 2.09184 2.09705 2.09231 2.09682 2.92317 2.10669 2.08758 2.88234 2.09142 2.08536 2.08763 2.08487 2.83221 2.68170 2.68186 2.65771 2.06794 2.65960 2.06473 2.66929 2.06501 2.66896 2.06516 2.04258 2.03224 1.93482 1.93674 2.16711 2.05795 2.05813 1.94331 1.90581 1.93971 1.91712 1.88051 1.87608 1.94301 1.88177 1.92928 1.92242 1.91820 1.86735 1.94913 1.91562 1.88990 1.91956 1.91778 1.86994 1.94115 1.91728 1.91048 1.92506 1.90597 1.86214 1.94409 1.91626 1.90793 1.92537 1.90511 1.86320 1.93835 1.92514 1.90425 1.92225 1.90607 1.86619 1.91338 1.97777 1.90163 1.89994 1.89562 1.87364 1.88247 1.85728 1.86848 1.98782 1.90889 1.95310 1.89048 1.93133 1.94441 1.89474 1.90626 1.89591 2.16381 1.95157 2.16775 2.05748 2.12770 2.09800 2.09960 2.06967 2.11392 2.09616 2.07986 2.10717 2.06684 2.12997 2.08637 2.06949 2.12825 2.08544 2.07357 2.07334 2.13627 1.49680 -2.64690 -0.55577 0.02177 -3.13054 1.32545 -2.83783 -0.77115 -2.72187 -0.60197 1.46471 -2.79072 1.36611 -0.71841 1.25754 -0.86882 -2.95334 0.00355 -3.13804 -3.13774 0.00386 3.10520 0.99474 -1.04081 0.99190 -1.11856 3.12907 -1.04676 3.12596 1.09041 -3.12046 1.02919 -1.00664 -0.98477 -3.11830 1.12906 1.05667 -1.07686 -3.11269 -0.98801 -3.12430 1.11966 1.09846 -1.03784 -3.07706 -3.13155 1.01535 -1.02388 0.97235 3.11031 -1.13444 3.10362 -1.04161 0.99683 -1.12519 1.01277 3.05120 0.95759 3.09384 -1.14433 3.08938 -1.05756 0.98746 -1.15273 0.98352 3.02854 -0.94870 -3.08661 1.15215 -3.08141 1.06386 -0.98056 1.15974 -0.97817 -3.02260 -3.00108 1.22492 -0.97479 -0.82875 -2.88593 1.19755 1.20608 -0.85110 -3.05080 -3.03335 -0.95832 1.15285 -0.96173 1.11330 -3.05872 1.21451 -2.99364 -0.88248 -3.11605 0.02813 0.01479 -3.12421 -3.14020 0.00199 -0.00115 3.14104 3.13883 -0.00399 -0.00011 3.14025 0.00171 -3.14013 -3.14050 0.00084 0.00075 -3.14116 -3.13960 0.00168 3.14052 -0.00108 -0.00082 3.14076 3.14143 -0.00015 0.00015 -3.14144 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000021 0.000004 0.002038 0.000414 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.731623e-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 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 1 1 2 3 4 5 5 5 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 13 14 14 15 15 15 16 17 17 18 18 19 19 20 20 21 21 14 16 16 6 6 7 13 34 22 8 9 23 10 24 25 11 26 27 12 28 29 12 30 31 32 33 14 35 36 15 37 38 39 40 17 18 19 20 41 21 42 22 43 22 44 1.5088 1.3901 1.2573 1.2906 1.2907 1.4878 1.4761 1.0302 1.4877 1.5492 1.5466 1.1213 1.5474 1.1085 1.1075 1.547 1.11 1.1093 1.5474 1.107 1.1101 1.5476 1.107 1.1097 1.1072 1.1096 1.5469 1.1148 1.1047 1.5253 1.1067 1.1035 1.1047 1.1033 1.4988 1.4191 1.4192 1.4064 1.0943 1.4074 1.0926 1.4125 1.0928 1.4124 1.0928 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 14 7 7 13 3 3 4 5 5 5 8 8 9 7 7 7 10 10 24 7 7 7 11 11 26 8 8 8 12 12 28 9 9 9 12 12 30 10 10 10 11 11 32 5 5 5 14 14 35 1 1 1 13 13 15 14 14 14 38 38 39 1 1 2 16 16 18 17 17 20 17 17 21 18 18 22 19 19 22 6 6 20 1 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 16 13 34 34 4 22 22 8 9 23 9 23 23 10 24 25 24 25 25 11 26 27 26 27 27 12 28 29 28 29 29 12 30 31 30 31 31 11 32 33 32 33 33 14 35 36 35 36 36 13 15 37 15 37 37 38 39 40 39 40 40 2 17 17 18 19 19 20 41 41 21 42 42 22 43 43 22 44 44 20 21 21 117.0306 116.4403 110.8601 110.9703 124.1639 117.9127 117.9234 111.3484 109.1956 111.1387 109.8411 107.7419 107.4894 111.325 107.8188 110.5413 110.1466 109.9012 106.9936 111.679 109.7546 108.2823 109.9828 109.882 107.1395 111.2213 109.8518 109.4603 110.2974 109.2055 106.6931 111.3873 109.7946 109.316 110.3152 109.1551 106.7542 111.0589 110.3024 109.1053 110.1371 109.2089 106.9262 109.6305 113.3194 108.9525 108.8581 108.6109 107.3513 107.8578 106.4162 107.0596 113.8906 109.3686 111.9042 108.316 110.6562 111.4067 108.5625 109.2188 108.6284 123.9801 111.8158 124.201 117.8847 121.9101 120.2051 120.2991 118.5843 121.1166 120.1014 119.1677 120.7309 118.4226 122.0372 119.5402 118.5752 121.9379 119.4869 118.8083 118.7951 122.3966 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 16 16 16 14 14 13 13 13 34 34 34 7 7 7 34 34 34 3 3 4 4 5 5 5 9 9 9 23 23 23 5 5 5 8 8 8 23 23 23 7 7 7 24 24 24 25 25 25 7 7 7 26 26 26 27 27 27 8 8 8 28 28 28 29 29 29 9 9 9 30 30 30 31 31 31 5 5 5 35 35 35 36 36 36 1 1 1 13 13 13 37 37 37 1 1 2 2 16 16 19 19 16 16 18 18 17 17 41 41 17 17 42 42 18 18 43 43 19 19 44 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 16 16 16 16 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 14 14 14 16 16 7 7 7 7 7 7 13 13 13 13 13 13 22 22 22 22 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 13 15 37 2 17 8 9 23 8 9 23 14 35 36 14 35 36 20 21 20 21 10 24 25 10 24 25 10 24 25 11 26 27 11 26 27 11 26 27 12 28 29 12 28 29 12 28 29 12 30 31 12 30 31 12 30 31 11 32 33 11 32 33 11 32 33 10 32 33 10 32 33 10 32 33 1 15 37 1 15 37 1 15 37 38 39 40 38 39 40 38 39 40 18 19 18 19 20 41 20 41 21 42 21 42 22 43 22 43 22 44 22 44 6 21 6 21 6 20 6 85.7403 -151.6785 -31.8622 1.2548 -179.3627 75.9568 -162.5802 -44.1694 -155.9295 -34.4664 83.9444 -159.8898 78.2767 -41.1561 72.0502 -49.7834 -169.2161 0.2083 -179.7912 -179.7776 0.2229 177.9169 56.9963 -59.6368 56.8306 -64.09 179.2769 -59.9706 179.1088 62.4757 -178.7954 58.9618 -57.6805 -56.4231 -178.6658 64.6919 60.5363 -61.7064 -178.3488 -56.6097 -179.01 64.1521 62.9367 -59.4636 -176.3015 -179.4243 58.1754 -58.6625 55.7117 178.2072 -64.9979 177.8234 -59.6811 57.1138 -64.4692 58.0263 174.8212 54.8673 177.265 -65.5627 177.0097 -60.5926 56.5797 -66.0443 56.3534 173.5257 -54.3559 -176.8494 66.0127 -176.5514 60.9551 -56.1827 66.448 -56.0455 -173.1834 -171.9814 70.1499 -55.8798 -47.5129 -165.3817 68.5887 69.0739 -48.7948 -174.8245 -173.7912 -54.8991 66.0625 -55.0963 63.7958 -175.2426 69.5873 -171.5206 -50.559 -178.5387 1.6093 0.8422 -179.0098 -179.9194 0.1156 -0.0648 179.9702 179.8415 -0.2278 -0.0071 179.9236 0.0977 -179.9171 -179.9383 0.0469 0.0427 -179.9754 -179.887 0.0949 179.9382 -0.0623 -0.0474 179.9521 179.9915 -0.008 0.0092 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 284.1821999999998 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5.364673 5.925347 1.114813 2.179542 3.504323 2.858396 4.047431 4.941508 4.720250 6.186568 6.009699 6.615855 2.783730 4.460579 3.639102 4.152251 4.723976 5.909606 5.032448 6.253987 5.290763 6.842664 6.385450 2.434774 0.000000 2.768392 4.146343 9.443229 8.891634 2.111522 8.530931 2.647142 2.809236 4.145402 4.143170 5.154706 5.238368 1.104702 2.168843 2.730073 3.721602 4.747292 5.937313 4.937910 7.054321 6.230820 7.153272 2.751470 3.282040 2.185887 4.548598 4.496144 4.674349 4.212463 6.154612 5.259983 6.167350 5.586324 2.974518 1.788221 0.000000 2.116851 2.409066 8.983923 8.880636 2.683623 8.256923 4.157722 4.938755 4.998658 6.431185 6.479693 7.014694 2.180182 1.106733 2.193344 2.550412 4.004286 4.963179 4.757094 6.303328 6.141560 6.775335 4.588285 4.907400 4.812721 4.914298 4.967351 7.094340 6.730856 7.164128 6.786117 8.083400 7.089300 2.579040 2.563413 3.082266 0.000000 3.389634 4.847380 10.662712 10.059818 2.733834 9.722901 3.814351 3.791150 4.678165 5.301537 5.970572 5.971663 2.764923 2.145241 1.103518 4.545909 5.759288 7.002503 5.961559 8.197797 7.323396 8.310357 4.647998 3.290832 3.653180 5.127054 4.296296 5.643578 5.928324 6.682206 6.566383 7.050128 5.756257 3.254715 3.821195 2.960006 2.573397 0.000000 2.631482 4.751564 9.498068 8.628489 3.592085 8.447352 4.532218 4.269035 5.767428 5.719216 6.917850 6.755618 2.869958 2.176165 1.104743 4.011382 4.870276 6.250983 4.697260 7.262855 5.969593 7.117221 5.073090 4.059013 3.650679 6.258781 5.633858 5.911935 6.143150 7.794258 7.327513 7.755082 6.711661 4.308399 3.782940 2.582461 3.105086 1.792871 0.000000 2.736107 4.354521 9.479538 8.849418 4.049183 8.533560 5.324890 5.409328 6.283183 6.938460 7.643157 7.714140 3.532120 2.184490 1.103268 3.833241 4.809310 6.047264 4.906176 7.134314 6.191082 7.169619 5.980958 5.030214 5.056764 6.568875 5.971713 7.251774 7.448391 8.369118 8.144956 8.786118 7.547568 4.395339 4.343795 3.777827 2.499750 1.799023 1.793409 0.000000 4.031529 2.529591 4.859158 5.785588 6.711369 4.676001 7.818926 8.742803 8.803482 10.002957 10.063513 10.791034 5.588540 5.070855 6.301074 2.668554 2.167336 1.094304 3.441315 2.183147 3.932905 3.426448 7.570332 9.139885 8.311406 8.410139 9.196518 10.721448 9.822766 10.814998 9.894562 11.699888 11.210789 6.517232 4.889198 6.147741 4.854019 7.147739 6.655581 6.309279 0.000000 2.400918 4.017061 5.782420 4.852100 5.932826 4.671560 6.911638 7.050964 8.317764 8.347284 9.453722 9.550919 4.513699 3.810900 4.167025 2.762307 2.172397 3.443852 1.092609 3.935068 2.178559 3.424397 6.887200 7.303797 6.216566 8.485221 8.548928 8.660419 8.314744 10.420157 9.481443 10.455329 9.830063 6.386727 4.499222 4.332585 4.487461 5.240457 3.801240 4.230828 4.330626 0.000000 5.832146 4.967591 2.427311 3.972724 8.964741 2.691429 9.989069 10.740926 11.110912 11.944909 12.288741 12.897578 7.684528 7.152817 8.187626 4.690110 3.454025 2.191478 3.934942 1.092758 3.453520 2.170580 9.649212 11.189786 10.139093 10.791700 11.548226 12.561213 11.667572 13.113235 12.042998 13.757324 13.368907 8.908145 7.001884 8.004427 7.137003 9.164398 8.308054 8.107954 2.551609 5.027480 0.000000 4.842527 5.861687 3.971270 2.425958 8.389228 2.690066 9.286898 9.405332 10.721418 10.586966 11.785406 11.869661 6.933438 6.314497 6.677444 4.738293 3.452551 3.931340 2.191414 3.453240 1.092837 2.169912 9.113953 9.738043 8.496636 10.842209 11.030833 10.844859 10.419637 12.780626 11.696858 12.705843 12.224496 8.805367 6.727154 6.702039 6.886298 7.760781 6.249976 6.613459 5.025443 2.543859 4.335262 0.000000 0.7714935 0.0742039 0.0730416 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= 242 242 242 242 242 MxSgAt= 44 MxSgA2= 44. 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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 44 44 44 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= 15576 NPrTT= 79134 LenC2= 11960 LenP2D= 37131. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 264 RedAO= T EigKep= 6.09D-04 NBF= 264 NBsUse= 264 1.00D-06 EigRej= -1.00D+00 NBFU= 264 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 241 241 241 241 241 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 0 1 -1031.32028684473 -1031.43021904099 -0.109932196262 -1029.64554490108 1.784674139912 -1031.64325384860 -1.997708947515 -1030.37342784281 1.269826005785 -1031.84449237464 -1.471064531828 -1031.88550971286 -0.041017338220 -1031.89434202296 -0.008832310101 -1031.89459934039 -0.000257317432 -1031.89532828801 -0.000728947614 -1031.89546430005 -0.000136012046 -1031.89549425492 -0.000029954866 -1031.89550580822 -0.000011553300 -1031.89588448389 -0.000378675670 -1031.89588691207 -0.000002428181 -1031.89588777482 -0.000000862753 -1031.89588931197 -0.000001537145 -1031.89588973176 -0.000000419796 -1031.89588976901 -0.000000037243 -1031.89588977651 -0.000000007502 -1031.89588977744 -0.000000000927 -1031.89588977758 -0.000000000149 -1031.89588977758 0.000000000005 -1031.89588978 23 1.027972351981e+03 -5.818997684708e+03 2.053574026729e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 230894 IEndB= 230894 NGot= 402653184 MDV= 402508891 LenX= 402508891 LenY= 402438754 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. -2.07578961e+00 -1.12713932e-01 1.36558909e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.005607229 -0.007285304 0.016293482 -0.021577600 0.039272490 -0.055110965 0.054448791 0.028170989 -0.074780802 0.028270463 -0.050726476 0.077137231 0.006243761 -0.014963981 -0.006170473 -0.069029778 0.018844810 -0.001965935 -0.000215377 0.013720840 0.008076995 0.000738261 -0.002783927 -0.000695975 0.002312782 -0.000838770 -0.000360532 -0.002273521 -0.005868490 0.007381589 -0.006698983 0.001326947 -0.005745742 -0.005448649 -0.004197502 0.000187884 -0.007274124 0.007248561 0.002626522 0.006686378 -0.005872675 0.001031980 -0.013444453 0.002720679 0.007879846 0.024243259 -0.029440214 0.036222619 -0.010389378 0.005401539 -0.004296944 -0.000902876 0.004904821 -0.008196679 -0.003761896 -0.005063322 0.010338123 0.009936929 0.003179009 -0.010041294 0.006229734 -0.007228571 0.010001574 -0.006333130 0.001817275 -0.000381288 -0.000990828 0.002408764 0.000313777 -0.000375519 0.001760467 -0.003147420 0.002531708 -0.001163835 0.000176828 0.002688788 0.000401649 -0.002279607 0.000663245 -0.000108764 0.002628062 -0.000456310 -0.000733795 0.000956484 0.000899718 -0.000972522 -0.002073814 -0.000753254 0.000360273 -0.000690361 0.001580550 -0.001395033 0.000128287 -0.000868127 -0.001128611 -0.000442971 0.000419739 0.001858840 0.000792484 -0.000868021 0.003713578 -0.003446178 -0.000626592 0.001075410 -0.001093009 -0.002289759 0.005396173 0.001107094 -0.002976697 -0.004920988 -0.000231079 -0.001444671 0.001163583 -0.001010249 0.002353527 -0.004902965 -0.001605859 0.002525582 0.004669081 0.001151222 -0.000960902 -0.000606389 0.001453497 0.001052074 0.001008297 -0.002245824 -0.000076804 -0.001203670 0.002145938 0.000604731 0.000981730 -0.002018515 0.077137231 0.016116169 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1031.91785666690 -1031.91786319273 -0.000006525829 -1031.91786311159 0.000000081136 -1031.91786324382 -0.000000132231 -1031.91786324121 0.000000002611 -1031.91786324853 -0.000000007320 -1031.91786324986 -0.000000001337 -1031.91786324988 -0.000000000015 -1031.91786324986 0.000000000018 -1031.91786325 9 1.026948133672e+03 -5.779447557266e+03 2.034464407536e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 230894 IEndB= 230894 NGot= 402653184 MDV= 402508891 LenX= 402508891 LenY= 402438754 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.818495 -18.808355 -18.808327 -18.774328 -14.218733 -13.987499 -10.045655 -9.988685 -9.969790 -9.958261 -9.948585 -9.948387 -9.945272 -9.944341 -9.930007 -9.929325 -9.895595 -9.894961 -9.893097 -9.893074 -9.891961 -9.890107 -1.117642 -1.020093 -0.962468 -0.943436 -0.832524 -0.829086 -0.760941 -0.748345 -0.720536 -0.715793 -0.671447 -0.668787 -0.659318 -0.612816 -0.592238 -0.584061 -0.553943 -0.547085 -0.533910 -0.518889 -0.506546 -0.495538 -0.485271 -0.476312 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AuxInfo=1/0/N:15,12,10,11,8,9,18,19,20,21,13,14,17,7,22,16,5,6,2,3,4,1/E:(3,4)(5,6)(7,8)(9,10)(20,21)/CRV:7.3,8.3,9.3,10.3,13.3,15.3,16.3,19.1,20.1,21.1/rA:44OO1O1O1NNCCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s3s4;s5;s7;s7;s8;s9;s10s11;s5;s1s13;s14;s1s2;s16;s17;s17;s18;s19;s6s20s21;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s5;s13;s13;s14;s15;s15;s15;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2077 CBGUSER 000274284 EM64L-G09RevD.01 12-Mar-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 126 C1[X(C16H22N2O4)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 284.1821999999998 0 1 AuxInfo=1/0/N:15,12,10,11,8,9,18,19,20,21,13,14,17,7,22,16,5,6,2,3,4,1/E:(3,4)(5,6)(7,8)(9,10)(20,21)/CRV:7.3,8.3,9.3,10.3,13.3,15.3,16.3,19.1,20.1,21.1/rA:44OO1O1O1NNCCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s3s4;s5;s7;s7;s8;s9;s10s11;s5;s1s13;s14;s1s2;s16;s17;s17;s18;s19;s6s20s21;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s5;s13;s13;s14;s15;s15;s15;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-15541.inp" -scrdir="/scratch/" chk=000274284-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 000274284 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 16 16 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 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 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 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000272 0.000052 0.061259 0.026035 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.438472e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1686.1171380775 264 616 264 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 44 44 44 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 284.1821999999998 AuxInfo=1/0/N:15,12,10,11,8,9,18,19,20,21,13,14,17,7,22,16,5,6,2,3,4,1/E:(3,4)(5,6)(7,8)(9,10)(20,21)/CRV:7.3,8.3,9.3,10.3,13.3,15.3,16.3,19.1,20.1,21.1/rA:44OO1O1O1NNCCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s3s4;s5;s7;s7;s8;s9;s10s11;s5;s1s13;s14;s1s2;s16;s17;s17;s18;s19;s6s20s21;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s5;s13;s13;s14;s15;s15;s15;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.338106 0.000000 7.336478 7.053947 0.000000 6.947235 7.406035 2.280893 0.000000 3.771863 4.299459 10.744813 10.495969 0.000000 6.458558 6.545455 1.290601 1.290710 9.965952 0.000000 4.978891 5.539379 11.699779 11.389074 1.487830 10.909940 0.000000 5.426215 6.520435 12.228231 11.632630 2.508334 11.317699 1.549177 0.000000 6.227867 6.454511 12.963407 12.787530 2.473644 12.238565 1.546637 2.533478 0.000000 6.863606 7.866174 13.384545 12.766010 3.877057 12.484172 2.556931 1.547397 2.975331 0.000000 7.521781 7.816828 14.071796 13.840630 3.857201 13.337649 2.559889 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3.711277 4.806107 4.180828 6.389688 3.781799 7.408851 7.732027 8.765225 9.019303 9.930981 10.167867 4.956211 4.273878 4.892292 2.551278 1.419182 2.460560 0.000000 4.843672 4.283117 2.774251 3.652949 8.123313 2.496759 9.159497 9.826172 10.344201 11.056529 11.529856 12.057256 6.793263 6.222995 7.196230 3.801760 2.450638 1.406396 2.842657 0.000000 4.174408 4.885708 3.652480 2.774146 7.764001 2.496438 8.727113 9.010235 10.106444 10.235765 11.225510 11.438276 6.314654 5.681037 6.241920 3.835338 2.449140 2.838990 1.407390 2.475427 0.000000 5.005532 5.085837 2.382554 2.382777 8.510433 1.487708 9.497642 9.955654 10.802653 11.168504 11.941828 12.299421 7.092504 6.493226 7.248100 4.292860 2.794729 2.421633 2.424254 1.412532 1.412355 0.000000 5.118416 5.498882 11.339735 11.101301 2.161963 10.598021 1.121256 2.171592 2.166020 2.774449 2.779449 3.340630 2.712453 4.212123 4.934878 5.629801 6.789332 7.672347 7.291629 8.866276 8.536510 9.228079 0.000000 5.604885 6.807181 12.684938 12.036695 2.710319 11.743567 2.163265 1.108500 2.777170 2.191981 3.363162 2.827404 3.561971 4.376499 4.061665 6.654048 7.864738 9.056645 8.048145 10.248720 9.363855 10.360342 3.079144 0.000000 4.867082 6.242956 11.471374 10.744070 2.773159 10.507862 2.197851 1.107506 3.503489 2.188086 3.991480 3.513080 2.921603 4.012004 3.972002 5.899441 6.907449 8.107758 6.954484 9.185087 8.178269 9.191317 2.527514 1.781278 0.000000 6.298531 6.115032 12.773218 12.793599 2.713820 12.143367 2.187376 3.499900 1.109975 3.984481 2.190637 3.517433 3.997184 5.057714 5.721586 6.645306 8.033354 8.769818 8.804761 10.105261 10.135752 10.700282 2.505583 3.787340 4.354743 0.000000 6.393921 6.741258 13.403085 13.170246 2.680254 12.644144 2.167717 2.789103 1.109284 3.377854 2.188823 2.839385 4.137943 4.977086 5.148466 7.059889 8.475841 9.417266 9.057786 10.751429 10.436223 11.186424 3.079767 2.572059 3.797157 1.785572 0.000000 7.373271 8.618322 13.861839 13.074258 4.686879 12.895448 3.514973 2.187072 3.979049 1.106998 3.513684 2.192746 5.287194 6.417196 6.224417 8.378098 9.398392 10.563441 9.422667 11.629735 10.597493 11.621454 3.786087 2.525785 2.513260 5.031274 4.201270 0.000000 6.965899 7.854206 13.067406 12.496569 4.207374 12.205000 2.830973 2.184338 3.391989 1.110104 2.837134 2.180995 4.720353 6.118403 6.355166 7.739435 8.736829 9.753372 8.915740 10.817458 10.063541 10.935208 2.586120 3.104523 2.511914 4.223347 4.065044 1.778695 0.000000 8.394731 8.537608 14.977379 14.822704 4.654280 14.278490 3.515543 3.976367 2.185962 3.513553 1.106956 2.193139 5.957869 7.120253 7.458364 8.930225 10.268263 11.096270 10.873482 12.387526 12.187106 12.865583 3.791493 4.178049 5.032931 2.524192 2.511636 4.358258 3.850014 0.000000 7.651753 7.809614 13.810142 13.649382 4.194806 13.123800 2.840308 3.402773 2.181837 2.839704 1.109719 2.180251 5.196716 6.588002 7.132907 8.118873 9.327252 10.118830 9.885765 11.330494 11.121270 11.767265 2.599134 4.059993 4.245705 2.501645 3.100174 3.849784 2.674786 1.779058 0.000000 8.818721 9.514619 15.323094 14.834466 5.415441 14.488476 3.999655 3.515622 3.515731 2.192962 2.191043 1.107201 6.422881 7.691305 7.772956 9.592576 10.766664 11.761121 11.069348 12.931757 12.301862 13.157151 4.149141 3.845055 4.356142 4.356986 3.853697 2.541495 2.499160 2.541791 2.493892 0.000000 8.044981 8.855956 14.982861 14.457148 4.566533 14.109327 3.423715 2.834208 2.842568 2.179318 2.180858 1.109598 5.738884 6.762441 6.623756 8.925762 10.195153 11.267254 10.503316 12.499189 11.810925 12.722905 4.044016 2.656686 3.833881 3.850543 2.676103 2.498610 3.092149 2.498173 3.092217 1.781139 0.000000 4.081263 4.059639 10.850200 10.804735 1.030245 10.167323 2.089661 3.375671 2.515231 4.607389 4.018159 4.825254 2.080588 2.788399 3.618602 4.489432 5.940710 6.785429 6.708358 8.147158 8.082725 8.692858 2.628951 3.517854 3.770132 2.338947 2.690591 5.500546 4.908493 4.639897 4.338843 5.858818 5.009021 0.000000 2.597136 2.834078 8.763656 8.647577 2.173609 8.044740 2.987389 3.910834 4.204237 5.129153 5.364673 5.925346 1.114814 2.179542 3.504323 2.858396 4.047431 4.941508 4.720250 6.186568 6.009700 6.615856 2.783730 4.460579 3.639102 4.152251 4.723976 5.909606 5.032447 6.253987 5.290763 6.842664 6.385450 2.434774 0.000000 2.768392 4.146342 9.443229 8.891634 2.111523 8.530931 2.647142 2.809236 4.145402 4.143171 5.154707 5.238368 1.104702 2.168844 2.730074 3.721601 4.747291 5.937313 4.937910 7.054321 6.230821 7.153272 2.751471 3.282040 2.185887 4.548599 4.496144 4.674349 4.212463 6.154613 5.259983 6.167350 5.586324 2.974519 1.788221 0.000000 2.116851 2.409066 8.983923 8.880635 2.683624 8.256923 4.157722 4.938756 4.998658 6.431186 6.479694 7.014694 2.180183 1.106732 2.193344 2.550412 4.004286 4.963179 4.757094 6.303328 6.141561 6.775335 4.588285 4.907401 4.812722 4.914298 4.967351 7.094340 6.730857 7.164128 6.786117 8.083400 7.089301 2.579040 2.563413 3.082266 0.000000 3.389634 4.847380 10.662712 10.059818 2.733834 9.722902 3.814351 3.791150 4.678165 5.301538 5.970572 5.971663 2.764923 2.145241 1.103519 4.545909 5.759287 7.002504 5.961559 8.197797 7.323397 8.310358 4.647999 3.290833 3.653181 5.127054 4.296296 5.643578 5.928324 6.682206 6.566383 7.050128 5.756257 3.254715 3.821196 2.960006 2.573398 0.000000 2.631483 4.751564 9.498068 8.628489 3.592086 8.447352 4.532218 4.269035 5.767428 5.719216 6.917850 6.755618 2.869958 2.176166 1.104744 4.011383 4.870276 6.250983 4.697260 7.262856 5.969593 7.117221 5.073091 4.059014 3.650680 6.258781 5.633858 5.911934 6.143150 7.794259 7.327513 7.755082 6.711662 4.308400 3.782940 2.582461 3.105087 1.792872 0.000000 2.736107 4.354521 9.479538 8.849418 4.049184 8.533561 5.324890 5.409328 6.283183 6.938461 7.643157 7.714140 3.532120 2.184491 1.103268 3.833242 4.809310 6.047264 4.906176 7.134314 6.191083 7.169620 5.980958 5.030215 5.056765 6.568875 5.971713 7.251774 7.448392 8.369119 8.144956 8.786118 7.547569 4.395339 4.343796 3.777827 2.499750 1.799023 1.793410 0.000000 4.031529 2.529591 4.859158 5.785588 6.711369 4.676002 7.818926 8.742803 8.803481 10.002957 10.063513 10.791033 5.588540 5.070855 6.301074 2.668553 2.167336 1.094304 3.441314 2.183147 3.932905 3.426448 7.570332 9.139885 8.311406 8.410139 9.196517 10.721447 9.822765 10.814998 9.894562 11.699888 11.210788 6.517232 4.889198 6.147741 4.854018 7.147738 6.655581 6.309279 0.000000 2.400918 4.017061 5.782419 4.852099 5.932826 4.671560 6.911638 7.050964 8.317764 8.347284 9.453723 9.550919 4.513699 3.810900 4.167025 2.762307 2.172396 3.443852 1.092609 3.935067 2.178559 3.424397 6.887201 7.303798 6.216566 8.485221 8.548928 8.660419 8.314744 10.420158 9.481444 10.455330 9.830064 6.386727 4.499223 4.332585 4.487461 5.240458 3.801240 4.230829 4.330626 0.000000 5.832147 4.967591 2.427310 3.972723 8.964741 2.691428 9.989069 10.740926 11.110912 11.944909 12.288742 12.897578 7.684529 7.152817 8.187626 4.690110 3.454026 2.191479 3.934942 1.092758 3.453520 2.170580 9.649213 11.189786 10.139094 10.791700 11.548226 12.561213 11.667572 13.113236 12.042998 13.757325 13.368907 8.908146 7.001885 8.004427 7.137003 9.164398 8.308054 8.107954 2.551610 5.027480 0.000000 4.842527 5.861687 3.971270 2.425957 8.389228 2.690066 9.286898 9.405333 10.721417 10.586966 11.785407 11.869661 6.933439 6.314498 6.677444 4.738293 3.452552 3.931340 2.191414 3.453240 1.092838 2.169911 9.113954 9.738044 8.496637 10.842209 11.030832 10.844859 10.419637 12.780627 11.696858 12.705843 12.224496 8.805367 6.727155 6.702039 6.886298 7.760781 6.249976 6.613460 5.025444 2.543859 4.335262 0.000000 C16H22N2O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 284.1821999999998 AuxInfo=1/0/N:15,12,10,11,8,9,18,19,20,21,13,14,17,7,22,16,5,6,2,3,4,1/E:(3,4)(5,6)(7,8)(9,10)(20,21)/CRV:7.3,8.3,9.3,10.3,13.3,15.3,16.3,19.1,20.1,21.1/rA:44OO1O1O1NNCCCCCCCCCC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s3s4;s5;s7;s7;s8;s9;s10s11;s5;s1s13;s14;s1s2;s16;s17;s17;s18;s19;s6s20s21;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s5;s13;s13;s14;s15;s15;s15;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7714935 0.0742039 0.0730416 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= 15576 NPrTT= 79134 LenC2= 11960 LenP2D= 37131. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 264 RedAO= T EigKep= 6.09D-04 NBF= 264 NBsUse= 264 1.00D-06 EigRej= -1.00D+00 NBFU= 264 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 241 241 241 241 241 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 0 1 -1031.32735108306 -1031.44244495678 -0.115093873711 -1029.67762453130 1.764820425473 -1031.62871949320 -1.951094961896 -1030.38534474254 1.243374750653 -1031.86791449342 -1.482569750875 -1031.90387779783 -0.035963304406 -1031.90677651434 -0.002898716519 -1031.91567511979 -0.008898605448 -1031.91777458353 -0.002099463733 -1031.91788643661 -0.000111853087 -1031.91791634433 -0.000029907721 -1031.91792041401 -0.000004069680 -1031.91769633682 0.000224077193 -1031.91769559231 0.000000744508 -1031.91769872975 -0.000003137435 -1031.91769819774 0.000000532011 -1031.91770015487 -0.000001957128 -1031.91770088618 -0.000000731317 -1031.91770089355 -0.000000007363 -1031.91770089491 -0.000000001361 -1031.91770089499 -0.000000000087 -1031.91770089500 -0.000000000009 -1031.91770090 23 1.026948841369e+03 -5.779448390408e+03 2.034464710066e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 231334 IEndB= 231334 NGot= 402653184 MDV= 402508451 LenX= 402508451 LenY= 402438314 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 44. Will process 45 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111 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= 402652476 using IRadAn= 2. Generate precomputed XC quadrature information. Solving linear equations simultaneously, MaxMat= 0. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 640000000 NMat= 135 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 135 NMatS0= 135 NMatT0= 0 NMatD0= 135 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 135 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 132 vectors produced by pass 0 Test12= 1.49D-14 1.00D-09 XBig12= 7.05D+02 1.42D+01. AX will form 132 AO Fock derivatives at one time. 132 vectors produced by pass 1 Test12= 1.49D-14 1.00D-09 XBig12= 5.47D+02 5.67D+00. 132 vectors produced by pass 2 Test12= 1.49D-14 1.00D-09 XBig12= 1.55D+00 1.26D-01. 132 vectors produced by pass 3 Test12= 1.49D-14 1.00D-09 XBig12= 9.59D-04 3.57D-03. 79 vectors produced by pass 4 Test12= 1.49D-14 1.00D-09 XBig12= 1.21D-07 3.16D-05. 12 vectors produced by pass 5 Test12= 1.49D-14 1.00D-09 XBig12= 1.72D-11 9.04D-07. 2 vectors produced by pass 6 Test12= 1.49D-14 1.00D-09 XBig12= 3.93D-15 7.95D-09. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 621 with 135 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 216.01 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 315.747 -14.782 185.688 21.530 21.437 146.593 471.473 -33.380 417.822 62.398 90.635 269.713 (Enter /mnt/data/applications/G09/g09/l716.exe) PT5127.500S 2018-03-12T12:54:09.000+01:00 -18.81848 -18.80835 -18.80833 -18.77433 -14.21873 -13.98749 -10.04565 -9.98869 -9.96979 -9.95826 -9.94859 -9.94839 -9.94527 -9.94435 -9.93000 -9.92931 -9.89558 -9.89494 -9.89308 -9.89307 -9.89195 -9.89009 -1.11764 -1.02009 -0.96247 -0.94343 -0.83252 -0.82909 -0.76094 -0.74832 -0.72053 -0.71579 -0.67145 -0.66879 -0.65932 -0.61281 -0.59224 -0.58406 -0.55394 -0.54709 -0.53391 -0.51889 -0.50654 -0.49554 -0.48527 -0.47631 -0.46108 -0.44329 -0.43525 -0.43153 -0.42857 -0.42402 -0.41391 -0.41169 -0.40672 -0.40130 -0.39089 -0.38530 -0.38087 -0.36676 -0.35609 -0.35316 -0.34687 -0.33877 -0.33596 -0.33290 -0.32497 -0.31918 -0.30647 -0.30221 -0.29990 -0.27946 -0.27768 -0.27484 -0.26904 -0.26657 -0.26406 -0.26321 -0.26027 -0.24658 -0.24393 -0.17801 -0.15039 -0.09309 -0.07416 -0.01256 0.03559 0.05015 0.06970 0.08098 0.08129 0.08711 0.09211 0.09594 0.09973 0.10390 0.10696 0.10983 0.12791 0.13058 0.13251 0.13281 0.13506 0.13903 0.14123 0.14670 0.15481 0.15634 0.16842 0.17301 0.17565 0.18096 0.18449 0.18770 0.19105 0.19364 0.19746 0.19960 0.20327 0.20813 0.20963 0.21733 0.22080 0.22688 0.23330 0.23639 0.24145 0.24688 0.25538 0.26305 0.27226 0.27951 0.28404 0.29097 0.29739 0.30403 0.30575 0.30731 0.30880 0.31696 0.32460 0.32803 0.33224 0.33656 0.34826 0.34921 0.35942 0.36046 0.36567 0.36613 0.37610 0.37912 0.38169 0.38745 0.39159 0.40388 0.41258 0.41820 0.42424 0.43691 0.43856 0.45514 0.45834 0.46762 0.47132 0.48193 0.48688 0.49984 0.50180 0.51152 0.51926 0.53247 0.53507 0.53884 0.55124 0.55914 0.58936 0.60426 0.62002 0.63603 0.65140 0.66397 0.67275 0.68422 0.69003 0.70699 0.71946 0.73069 0.74573 0.75308 0.77169 0.79050 0.82009 0.82224 0.84505 0.84951 0.85992 0.88018 0.88293 0.89217 0.90655 0.93059 0.93319 0.95034 0.95504 0.96477 0.97582 0.99331 0.99668 1.01234 1.01705 1.03092 1.04443 1.06022 1.07635 1.08221 1.10196 1.11087 1.12881 1.13613 1.14228 1.15991 1.17063 1.18499 1.19413 1.20919 1.21434 1.22499 1.25877 1.29039 1.29322 1.33170 1.35680 1.37189 1.41526 1.44145 1.46042 1.53553 1.58236 1.69002 1.73520 1.77087 22.24028 22.45629 22.45796 22.49786 22.53980 22.55210 22.58671 22.60020 22.62333 22.62680 22.63749 22.66091 22.67068 22.68810 22.68980 22.74129 31.33366 31.53950 41.44070 41.51379 41.54553 41.54782 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 O O O O N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H -0.294418 -0.247262 -0.201380 -0.202262 -0.360112 0.027424 0.011331 -0.401905 -0.460961 -0.395201 -0.395957 -0.387299 -0.405192 0.026809 -0.702064 0.190576 0.231148 -0.320850 -0.314027 -0.352173 -0.345109 0.387454 0.179847 0.202976 0.191307 0.186623 0.208953 0.200528 0.191776 0.201382 0.194459 0.199307 0.192257 0.253633 0.237079 0.209453 0.230820 0.246344 0.214505 0.225516 0.282185 0.282362 0.290852 0.289265 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 21 22 O O O O N N C C C C C C C C C C C C C C C C -0.294418 -0.247262 -0.201380 -0.202262 -0.106479 0.027424 0.191178 -0.007622 -0.065385 -0.002897 -0.000116 0.004265 0.041340 0.257630 -0.015699 0.190576 0.231148 -0.038665 -0.031665 -0.061321 -0.055844 0.387454 0.00000 2.31894376e+00 -2.69301969e-02 2.41527690e-01 3.15746934e+02 -1.47815189e+01 1.85688002e+02 2.15302163e+01 2.14372987e+01 1.46592703e+02 -29.0980 -11.1612 -4.0689 0.0005 0.0008 0.0009 4.4529 14.3939 20.4966 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -26.3940 14.2090 17.8808 34.3265 56.1762 60.3382 71.3429 84.5383 90.5072 144.1513 159.2888 185.0277 198.0187 212.6730 215.5898 249.7953 259.8529 284.3358 314.0428 322.5632 345.9600 393.7546 409.1209 410.3726 434.1057 449.7302 455.8594 473.7941 489.5121 498.8703 523.0135 574.7543 623.6911 652.2041 673.6957 680.5181 685.3567 764.3833 772.8565 779.1290 786.0174 802.8774 825.6706 843.4728 864.0109 878.1096 888.5833 889.9500 898.7975 916.6447 927.6972 964.2374 1004.0429 1004.8907 1011.7352 1036.8238 1041.3889 1050.6819 1054.4074 1066.3600 1074.3309 1089.0618 1108.2558 1111.4334 1128.5233 1144.1827 1151.3873 1155.8759 1174.6669 1200.1773 1214.0410 1234.8703 1240.5133 1244.0547 1253.3357 1257.5471 1290.5802 1295.3350 1309.0650 1313.8387 1332.8254 1337.0424 1338.1690 1341.1322 1344.4688 1360.1213 1367.2583 1373.4743 1387.0661 1405.3862 1413.7116 1458.6207 1461.6751 1463.3410 1464.6467 1467.5813 1469.9569 1471.8795 1474.2382 1477.4397 1480.8971 1587.1276 1608.8356 1616.0281 2841.5114 2907.7800 2959.2120 2965.2416 2969.2110 2969.4465 2976.0946 2993.6326 3017.1767 3020.3382 3029.5412 3030.1792 3035.7162 3045.4009 3049.4098 3094.4434 3104.8094 3164.9768 3175.9424 3188.0382 3193.6436 3422.4306 3.1492 6.2580 4.6230 4.5732 3.9172 6.1897 5.3981 5.4722 7.6280 2.7651 3.2611 3.0310 3.6835 1.6072 1.5852 5.4889 3.5684 5.7366 4.7436 1.8638 3.4515 2.8870 3.4125 2.9230 3.0217 2.1942 3.7346 3.1908 7.7482 2.8432 4.1867 2.9787 7.1176 6.2575 1.3909 7.0502 3.8772 5.1332 8.8541 2.0262 1.6219 4.2557 5.1821 2.1125 1.2446 1.7153 1.6702 1.5848 2.3562 1.6850 1.5759 2.1146 1.5087 2.6157 1.3663 2.5051 2.0776 1.3017 1.5656 2.6060 1.8255 3.2514 1.3357 2.3092 2.1790 2.0196 2.2795 2.2556 1.2318 1.7600 6.9447 1.2873 1.3496 3.5411 1.2446 1.2405 1.2587 1.1913 1.3295 1.3045 1.3876 1.4967 1.4834 1.4693 1.4570 1.4207 7.7253 1.4222 1.2961 8.1763 4.5945 1.1290 1.1134 1.0901 1.0774 1.1458 1.0850 1.1086 2.2099 1.0944 1.0761 9.3126 6.5887 9.6379 1.0810 1.0699 1.0590 1.0629 1.0603 1.0664 1.0616 1.0358 1.0995 1.0853 1.0996 1.0951 1.1023 1.1029 1.0911 1.0996 1.0997 1.0900 1.0890 1.0958 1.0973 1.0741 0.0013 0.0007 0.0009 0.0032 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