Gaussian 09 GINC-KIMIK2028 CBGUSER 000283761 EM64L-G09RevD.01 27-Mar-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInputnosymm 280.19019999999983 0 1 AuxInfo=1/0/N:17,18,21,22,19,20,7,8,9,10,11,12,13,14,5,6,15,16,3,4,1,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/CRV:3.3,4.3,5.3,6.3,13.3,14.3,17.3,18.3,19.1,20.1/rA:44OOO1O1CCCCCCCCC3C3C3C3CCC3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s5;s6;s5;s6;s1s7;s2s8;s9;s10s13;s1s3s5;s2s4s6;s11;s12;s13;s14;s19;s20s21;s5;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s12;s17;s17;s17;s18;s18;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-24132.inp" -scrdir="/scratch/" chk=000283761.chk nprocshared=4 mem=7GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000283761 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 12 12 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 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 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 R46 1 1 2 2 3 4 5 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 17 17 17 18 18 18 19 19 20 20 21 21 22 11 15 12 16 15 16 7 9 15 23 8 10 16 24 11 25 26 12 27 28 13 29 30 14 31 32 17 33 18 34 14 19 20 35 36 37 38 39 40 21 41 22 42 22 43 44 1.4717 1.3839 1.4717 1.384 1.2004 1.2004 1.5352 1.5341 1.5291 1.1252 1.5352 1.5341 1.5291 1.1252 1.5434 1.1038 1.1061 1.5434 1.1038 1.1061 1.5047 1.1106 1.1196 1.5047 1.1105 1.1197 1.5159 1.1109 1.5159 1.1109 1.4101 1.4042 1.4042 1.1008 1.0954 1.0975 1.1008 1.0954 1.0975 1.3962 1.0895 1.3962 1.0895 1.3974 1.0887 1.0887 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 11 12 7 7 7 9 9 15 8 8 8 10 10 16 5 5 5 11 11 25 6 6 6 12 12 27 5 5 5 13 13 29 6 6 6 14 14 31 1 1 1 7 7 17 2 2 2 8 8 18 9 9 14 10 10 13 1 1 3 2 2 4 11 11 11 35 35 36 12 12 12 38 38 39 13 13 21 14 14 22 19 19 22 20 20 21 1 2 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 15 16 9 15 23 15 23 23 10 16 24 16 24 24 11 25 26 25 26 26 12 27 28 27 28 28 13 29 30 29 30 30 14 31 32 31 32 32 7 17 33 17 33 33 8 18 34 18 34 34 14 19 19 13 20 20 3 5 5 4 6 6 35 36 37 36 37 37 38 39 40 39 40 40 21 41 41 22 42 42 22 43 43 21 44 44 111.6579 111.6579 114.7854 104.8724 110.249 109.6938 108.8072 108.2108 114.7863 104.8719 110.2483 109.695 108.8069 108.2102 106.3097 111.2801 111.4233 111.1001 111.6238 105.209 106.3089 111.2814 111.4218 111.1013 111.623 105.2095 112.7442 109.8662 108.8459 110.6748 109.6126 104.777 112.7455 109.8665 108.8457 110.6746 109.6131 104.7751 106.5136 106.3993 103.486 114.6312 112.5834 112.2075 106.5135 106.399 103.4881 114.6311 112.5822 112.2073 122.1898 118.473 119.3309 122.1899 118.4726 119.3311 119.3261 110.4533 130.2201 119.3242 110.4523 130.223 110.5666 111.8361 112.0231 107.8307 106.155 108.1733 110.5668 111.8361 112.0224 107.8313 106.1548 108.1735 120.8536 119.7626 119.3833 120.8536 119.7624 119.3836 119.8153 120.0321 120.1526 119.8153 120.0321 120.1525 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 15 15 15 11 11 16 16 16 12 12 9 9 9 15 15 15 23 23 23 7 7 7 15 15 15 23 23 23 7 7 9 9 23 23 10 10 10 16 16 16 24 24 24 8 8 8 16 16 16 24 24 24 8 8 10 10 24 24 5 5 5 25 25 25 26 26 26 6 6 6 27 27 27 28 28 28 5 5 29 29 30 30 6 6 31 31 32 32 1 1 1 7 7 7 33 33 33 2 2 2 8 8 8 34 34 34 9 9 19 19 9 9 14 14 10 10 13 13 13 13 41 41 14 14 42 42 19 19 43 43 1 1 1 1 1 2 2 2 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 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 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 19 19 19 19 20 20 20 20 21 21 21 21 11 11 11 15 15 12 12 12 16 16 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 15 15 15 15 15 15 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 16 16 16 16 16 16 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 14 14 14 14 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 7 17 33 3 5 8 18 34 4 6 11 25 26 11 25 26 11 25 26 13 29 30 13 29 30 13 29 30 1 3 1 3 1 3 12 27 28 12 27 28 12 27 28 14 31 32 14 31 32 14 31 32 2 4 2 4 2 4 1 17 33 1 17 33 1 17 33 2 18 34 2 18 34 2 18 34 14 19 14 19 14 19 13 20 13 20 13 20 35 36 37 35 36 37 35 36 37 38 39 40 38 39 40 38 39 40 10 20 10 20 21 41 21 41 22 42 22 42 22 43 22 43 21 44 21 44 20 44 20 44 -0.789 121.9215 -119.6709 -176.8304 3.3963 -0.7635 121.9466 -119.6451 -176.8322 3.3947 124.2952 -114.6068 2.4743 3.8525 124.9504 -117.9685 -112.4182 8.6797 125.7608 61.7868 -62.1675 -176.3654 179.5326 55.5783 -58.6196 -62.2674 173.7783 59.5804 -4.5303 175.7285 -128.2928 51.966 113.1377 -66.6035 124.3337 -114.5666 2.5151 3.8894 124.9891 -117.9292 -112.38 8.7197 125.8014 61.7448 -62.2104 -176.406 179.4913 55.5361 -58.6595 -62.309 173.7359 59.5402 -4.5532 175.7059 -128.3171 51.942 113.1134 -66.6275 -2.0633 -119.4429 110.689 -123.2767 119.3437 -10.5244 119.6299 2.2503 -127.6178 -2.1018 -119.4809 110.6525 -123.317 119.3038 -10.5628 119.5886 2.2095 -127.6571 71.048 -109.8729 -165.4449 13.6342 -50.3656 128.7135 71.0459 -109.8783 -165.4459 13.6299 -50.3686 128.7072 53.6435 173.8208 -64.5427 171.0882 -68.7345 52.9019 -58.8589 61.3184 -177.0451 53.6572 173.8353 -64.5284 171.1015 -68.7203 52.9159 -58.8475 61.3306 -177.0331 -2.0248 178.9071 178.9037 -0.1644 -178.9956 0.7489 0.1105 179.855 -178.9939 0.7522 0.1089 179.855 0.0023 179.9552 -179.7432 0.2098 0.0038 179.9569 -179.7432 0.2099 -0.0599 179.987 179.9872 0.0342 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 3.00e-01 1.00e-07 1.00e-06 264 264 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= 13630 LenP2D= 43093. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 264 RedAO= T EigKep= 5.24D-04 NBF= 264 NBsUse= 264 1.00D-06 EigRej= -1.00D+00 NBFU= 264 Using GEDIIS/GDIIS optimizer. local minimum Step number 14 out of a maximum of 264 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00188 0.00296 0.00316 0.00361 0.00442 0.00556 0.00703 0.00725 0.00792 0.00798 0.01470 0.01500 0.01926 0.02075 0.02086 0.02107 0.02134 0.02174 0.02186 0.02273 0.02428 0.03176 0.03371 0.03831 0.03878 0.03965 0.04038 0.04066 0.04136 0.04236 0.04697 0.04811 0.04900 0.05274 0.05418 0.05494 0.05506 0.05652 0.05705 0.05765 0.05789 0.06144 0.06774 0.06793 0.06840 0.08339 0.08367 0.08414 0.08464 0.08829 0.09328 0.12835 0.12873 0.14037 0.14184 0.14720 0.15574 0.15624 0.15876 0.15990 0.16000 0.16000 0.16000 0.16000 0.16002 0.16024 0.16062 0.19556 0.19618 0.20604 0.21469 0.21887 0.21937 0.22000 0.22619 0.24456 0.24966 0.24994 0.25071 0.26190 0.26763 0.27121 0.27992 0.28096 0.28814 0.29053 0.29074 0.30651 0.30771 0.30911 0.31050 0.31569 0.31615 0.31887 0.32098 0.32501 0.32510 0.32542 0.32702 0.32936 0.33020 0.33124 0.33266 0.33406 0.33597 0.33714 0.33956 0.33957 0.34060 0.34196 0.34296 0.34686 0.34867 0.34873 0.34967 0.35301 0.41417 0.42923 0.44846 0.45688 0.45912 0.46174 0.47211 0.49702 0.96466 1.04621 RFO step: Lambda=-8.03057674D-07. 1 2 0.00089071 0.00000084 0.00000094 0.00000070 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 2.85839 2.66641 2.85840 2.66643 2.34596 2.34596 2.92278 2.93133 2.91590 2.09818 2.92272 2.93136 2.91583 2.09820 2.92407 2.08193 2.09178 2.92413 2.08194 2.09179 2.88082 2.09088 2.08792 2.88081 2.09088 2.08793 2.88126 2.09349 2.88127 2.09349 2.70217 2.68189 2.68189 2.08439 2.08931 2.08606 2.08439 2.08931 2.08607 2.66765 2.07356 2.66764 2.07356 2.66925 2.07037 2.07036 1.90991 1.90995 2.04149 1.79851 1.90671 1.94427 1.90188 1.86149 2.04150 1.79818 1.90675 1.94414 1.90195 1.86184 1.80409 1.97718 1.92073 1.95815 1.91325 1.88925 1.80400 1.97714 1.92084 1.95808 1.91340 1.88922 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0.00025 0.00035 0.00077 0.00072 0.00082 -0.00049 -0.00075 -0.00041 -0.00067 -0.00015 -0.00041 -0.00088 -0.00087 -0.00071 -0.00070 -0.00043 -0.00042 0.00025 0.00020 0.00009 0.00033 0.00028 0.00017 0.00017 0.00012 0.00001 0.00026 0.00021 0.00010 0.00019 0.00014 0.00003 0.00017 0.00012 0.00002 0.00033 0.00032 0.00059 0.00059 -0.00007 -0.00018 -0.00032 -0.00043 -0.00024 -0.00036 -0.00023 -0.00035 -0.00031 0.00005 -0.00020 0.00016 -0.00040 0.00002 -0.00028 0.00014 0.00067 0.00025 0.00030 -0.00012 2.85826 2.66619 2.85821 2.66620 2.34599 2.34599 2.92265 2.93175 2.91581 2.09813 2.92265 2.93178 2.91581 2.09813 2.92419 2.08194 2.09177 2.92420 2.08195 2.09178 2.88067 2.09085 2.08792 2.88067 2.09086 2.08791 2.88128 2.09347 2.88129 2.09347 2.70229 2.68182 2.68181 2.08439 2.08932 2.08608 2.08439 2.08932 2.08608 2.66771 2.07357 2.66770 2.07357 2.66924 2.07037 2.07037 1.91007 1.91010 2.04159 1.79842 1.90705 1.94397 1.90158 1.86179 2.04153 1.79848 1.90709 1.94393 1.90158 1.86178 1.80412 1.97726 1.92100 1.95807 1.91320 1.88903 1.80418 1.97724 1.92104 1.95805 1.91321 1.88896 1.97011 1.88877 1.87202 1.91360 1.95964 1.85475 1.97022 1.88873 1.87199 1.91358 1.95966 1.85470 1.81601 1.88729 1.84829 2.02984 1.93184 1.93716 1.81606 1.88729 1.84830 2.02976 1.93187 1.93716 2.13553 2.07358 2.07357 2.13551 2.07357 2.07360 2.13536 1.90968 2.23802 2.13534 1.90969 2.23802 1.93525 1.91891 1.92988 1.89105 1.89199 1.89576 1.93527 1.91892 1.92984 1.89106 1.89201 1.89575 2.12585 2.07311 2.08422 2.12585 2.07308 2.08425 2.08364 2.09755 2.10200 2.08362 2.09755 2.10201 0.36403 2.53234 -1.67343 3.13551 -0.02205 0.36394 2.53217 -1.67358 3.13556 -0.02217 2.67027 -1.48952 0.62798 0.53164 2.65504 -1.51064 -1.44297 0.68043 2.79793 1.11983 -1.00131 -2.99577 -3.10192 1.06013 -0.93433 -1.05289 3.10916 1.11471 -0.32759 2.79683 -2.53032 0.59410 1.67987 -1.47889 2.66988 -1.48989 0.62754 0.53130 2.65471 -1.51105 -1.44336 0.68005 2.79748 1.11970 -1.00145 -2.99582 -3.10205 1.05999 -0.93438 -1.05304 3.10900 1.11463 -0.32729 2.79694 -2.52997 0.59427 1.68025 -1.47870 -0.55145 -2.62469 1.42688 -2.68771 1.52223 -0.70938 1.49631 -0.57693 -2.80854 -0.55117 -2.62441 1.42721 -2.68744 1.52251 -0.70906 1.49667 -0.57656 -2.80813 1.45585 -1.65095 -2.72031 0.45609 -0.66285 2.51354 1.45615 -1.65075 -2.71999 0.45629 -0.66260 2.51369 1.04297 3.13377 -1.05617 3.07698 -1.11541 0.97784 -0.97720 1.11359 -3.07635 1.04299 3.13381 -1.05616 3.07701 -1.11535 0.97786 -0.97721 1.11362 -3.07636 0.09271 -3.08357 -3.08368 0.02322 3.09376 -0.05196 -0.01429 3.12318 3.09384 -0.05194 -0.01430 3.12310 -0.00443 3.13938 3.14131 0.00194 -0.00441 3.13938 3.14140 0.00201 0.01378 -3.13002 -3.13004 0.00934 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000109 0.000028 0.004000 0.000891 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.912370e-06 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 2 2 3 4 5 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 17 17 17 18 18 18 19 19 20 20 21 21 22 11 15 12 16 15 16 7 9 15 23 8 10 16 24 11 25 26 12 27 28 13 29 30 14 31 32 17 33 18 34 14 19 20 35 36 37 38 39 40 21 41 22 42 22 43 44 1.5126 1.411 1.5126 1.411 1.2414 1.2414 1.5467 1.5512 1.543 1.1103 1.5466 1.5512 1.543 1.1103 1.5474 1.1017 1.1069 1.5474 1.1017 1.1069 1.5245 1.1064 1.1049 1.5245 1.1064 1.1049 1.5247 1.1078 1.5247 1.1078 1.4299 1.4192 1.4192 1.103 1.1056 1.1039 1.103 1.1056 1.1039 1.4117 1.0973 1.4117 1.0973 1.4125 1.0956 1.0956 -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 = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 11 12 7 7 7 9 9 15 8 8 8 10 10 16 5 5 5 11 11 25 6 6 6 12 12 27 5 5 5 13 13 29 6 6 6 14 14 31 1 1 1 7 7 17 2 2 2 8 8 18 9 9 14 10 10 13 1 1 3 2 2 4 11 11 11 35 35 36 12 12 12 38 38 39 13 13 21 14 14 22 19 19 22 20 20 21 1 2 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 15 16 9 15 23 15 23 23 10 16 24 16 24 24 11 25 26 25 26 26 12 27 28 27 28 28 13 29 30 29 30 30 14 31 32 31 32 32 7 17 33 17 33 33 8 18 34 18 34 34 14 19 19 13 20 20 3 5 5 4 6 6 35 36 37 36 37 37 38 39 40 39 40 40 21 41 41 22 42 42 22 43 43 21 44 44 109.43 109.4322 116.9687 103.0469 109.2464 111.3982 108.9699 106.6552 116.9695 103.0284 109.2486 111.3909 108.9735 106.6758 103.367 113.2843 110.0497 112.1937 109.6211 108.2463 103.3613 113.2818 110.0558 112.1895 109.6296 108.2446 112.8893 108.2158 107.2715 109.6295 112.2732 106.2664 112.8943 108.211 107.2738 109.6272 112.2763 106.2623 104.0457 108.1263 105.8971 116.3117 110.6846 110.9942 104.0545 108.1247 105.8996 116.31 110.679 110.993 122.3603 118.8039 118.806 122.3595 118.8034 118.808 122.3381 109.4173 128.2325 122.3426 109.414 128.2391 110.8765 109.9542 110.5733 108.3497 108.3988 108.62 110.8779 109.9538 110.5709 108.3504 108.4 108.6195 121.804 118.7783 119.4174 121.8036 118.7768 119.4192 119.383 120.18 120.4369 119.382 120.1804 120.4375 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-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 = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 15 15 15 11 11 16 16 16 12 12 9 9 9 15 15 15 23 23 23 7 7 7 15 15 15 23 23 23 7 7 9 9 23 23 10 10 10 16 16 16 24 24 24 8 8 8 16 16 16 24 24 24 8 8 10 10 24 24 5 5 5 25 25 25 26 26 26 6 6 6 27 27 27 28 28 28 5 5 29 29 30 30 6 6 31 31 32 32 1 1 1 7 7 7 33 33 33 2 2 2 8 8 8 34 34 34 9 9 19 19 9 9 14 14 10 10 13 13 13 13 41 41 14 14 42 42 19 19 43 1 1 1 1 1 2 2 2 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 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 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 19 19 19 19 20 20 20 20 21 21 21 11 11 11 15 15 12 12 12 16 16 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 15 15 15 15 15 15 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 16 16 16 16 16 16 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 14 14 14 14 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 7 17 33 3 5 8 18 34 4 6 11 25 26 11 25 26 11 25 26 13 29 30 13 29 30 13 29 30 1 3 1 3 1 3 12 27 28 12 27 28 12 27 28 14 31 32 14 31 32 14 31 32 2 4 2 4 2 4 1 17 33 1 17 33 1 17 33 2 18 34 2 18 34 2 18 34 14 19 14 19 14 19 13 20 13 20 13 20 35 36 37 35 36 37 35 36 37 38 39 40 38 39 40 38 39 40 10 20 10 20 21 41 21 41 22 42 22 42 22 43 22 43 21 44 21 44 20 44 20 20.9354 145.1761 -95.798 179.812 -1.3533 20.8093 145.0522 -95.9228 179.52 -1.1713 153.0006 -85.335 35.9912 30.4445 152.1089 -86.5649 -82.6675 38.9969 160.323 64.1501 -57.372 -171.6476 -177.7222 60.7557 -53.5199 -60.3216 178.1563 63.8807 -18.7026 160.044 -144.9158 33.8308 96.2905 -84.9629 153.0561 -85.2897 36.0371 30.5227 152.177 -86.4963 -82.6047 39.0496 160.3763 64.1469 -57.3723 -171.6419 -177.7552 60.7257 -53.544 -60.3315 178.1494 63.8797 -18.8647 160.3916 -145.0627 34.1937 96.1308 -84.6129 -31.6298 -150.4115 81.715 -154.0248 87.1935 -40.68 85.681 -33.1007 -160.9742 -31.6098 -150.3948 81.7399 -153.996 87.219 -40.6462 85.7089 -33.0761 -160.9413 83.442 -94.549 -155.8387 26.1703 -37.9698 144.0392 83.4815 -94.5313 -155.8035 26.1837 -37.9393 144.0478 59.7434 179.5401 -60.5196 176.2793 -63.924 56.0162 -55.9992 63.7975 -176.2622 59.7443 179.5425 -60.5196 176.2892 -63.9126 56.0252 -55.9997 63.7985 -176.2637 5.2932 -176.6941 -176.7158 1.2969 177.2635 -2.9672 -0.7999 178.9694 177.278 -2.9553 -0.8064 178.9603 -0.2363 179.8703 179.9957 0.1023 -0.2299 179.8725 180.0049 0.1073 0.7516 -179.3511 -179.3553 -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 = 0.0001|-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 = -0.0001|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 280.19019999999983 AuxInfo=1/0/N:17,18,21,22,19,20,7,8,9,10,11,12,13,14,5,6,15,16,3,4,1,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/CRV:3.3,4.3,5.3,6.3,13.3,14.3,17.3,18.3,19.1,20.1/rA:44OOO1O1CCCCCCCCC3C3C3C3CCC3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s5;s6;s5;s6;s1s7;s2s8;s9;s10s13;s1s3s5;s2s4s6;s11;s12;s13;s14;s19;s20s21;s5;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s12;s17;s17;s17;s18;s18;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 7.780982 0.000000 2.232408 6.098283 0.000000 6.099451 2.232398 4.613139 0.000000 2.394253 5.973654 2.479847 4.604604 0.000000 5.973157 2.394249 4.603196 2.479870 3.873689 0.000000 2.416495 7.341386 3.610380 5.919288 1.535197 5.185927 0.000000 7.340458 2.416485 5.917625 3.610363 5.185497 1.535195 6.419804 0.000000 3.533856 5.595296 3.042068 4.788679 1.534090 3.298032 2.585517 4.296592 0.000000 5.595152 3.534046 4.787488 3.041986 3.298051 1.534088 4.297276 2.585527 3.013681 0.000000 1.471729 8.336016 3.485745 6.703754 2.463697 6.326280 1.543421 7.643589 3.644222 5.614536 0.000000 8.335293 1.471717 6.701990 3.485733 6.326178 2.463684 7.643979 1.543423 5.614012 3.644532 8.779355 0.000000 4.763538 5.620726 4.489278 5.154761 2.530324 3.232056 3.107096 3.907482 1.504723 2.552137 4.503149 5.379795 0.000000 5.620765 4.763474 5.154116 4.489395 3.232052 2.530340 3.908125 3.106732 2.552138 1.504720 5.380263 4.503008 1.410133 0.000000 1.383950 6.455264 1.200408 4.902750 1.529100 4.657542 2.428995 6.017081 2.504517 4.460776 2.363201 6.980509 3.862227 4.619961 0.000000 6.455553 1.383967 4.901910 1.200404 4.658270 1.529097 6.018164 2.428983 4.461325 2.504531 6.981455 2.363205 4.620221 3.862243 5.158190 0.000000 2.392399 9.534246 4.386873 8.045961 3.585890 7.413266 2.574919 8.607046 4.361790 6.756326 1.515869 9.842683 5.169109 6.269887 3.399637 8.218954 0.000000 9.534349 2.392386 8.044702 4.387046 7.413823 3.586205 8.608303 2.574919 6.756206 4.362731 9.843665 1.515870 6.269763 5.169390 8.218660 3.399845 10.947402 0.000000 5.439629 6.869460 5.497479 6.549717 3.517134 4.513105 3.605788 4.910616 2.500104 3.826873 4.936590 6.442838 1.404176 2.429007 4.778416 5.961684 5.236844 7.233042 0.000000 6.869601 5.439412 6.549114 5.497185 4.513071 3.517188 4.911300 3.605610 3.826875 2.500096 6.443435 4.936555 2.429008 1.404174 5.961472 4.778201 7.233445 5.237127 2.785817 0.000000 6.721268 7.348749 6.819721 7.271012 4.721684 5.129160 4.677081 5.239282 3.795823 4.314984 6.079097 6.749395 2.435541 2.811126 6.083520 6.586703 6.362674 7.278140 1.396176 2.417090 0.000000 7.349007 6.720969 7.270764 6.819575 5.129108 4.721743 5.239844 4.676743 4.314989 3.795815 6.749909 6.078830 2.811128 2.435539 6.586681 6.083355 7.278547 6.362554 2.417090 1.396175 1.397442 0.000000 3.082743 5.259761 2.873714 3.725799 1.125215 3.334061 2.195146 4.766077 2.175438 2.608206 3.172060 5.763535 2.797863 2.976491 2.163252 3.898993 4.491375 6.750358 4.000232 4.248530 5.017278 5.118826 0.000000 5.258780 3.082561 3.724115 2.873867 3.333845 1.125217 4.766163 2.195137 2.608319 2.175434 5.763091 3.171740 2.976872 2.798219 3.897923 2.163243 6.749244 4.491367 4.249049 4.000709 5.119424 5.017859 3.064876 0.000000 3.195528 7.408901 4.373544 5.918258 2.192073 5.347567 1.103794 6.593061 3.292641 4.215085 2.197068 7.764168 3.453947 3.912472 3.225582 6.083489 3.311797 8.574524 3.977026 4.744724 4.800166 5.138526 2.330731 5.150203 0.000000 3.177519 7.793161 4.300047 6.618998 2.195596 5.497061 1.106067 6.542812 2.608235 4.594089 2.205384 7.896504 2.818525 3.838100 3.179346 6.541918 2.606784 8.830307 2.883589 4.662483 3.921719 4.702806 2.977851 5.063781 1.755651 0.000000 7.407302 3.195794 5.916395 4.373866 5.346556 2.192085 6.592275 1.103790 4.213802 3.292383 7.762883 2.197082 3.911266 3.453201 6.081942 3.225841 8.572194 3.311547 4.743453 3.976572 5.137485 4.799493 5.149651 2.330790 6.924327 6.597381 0.000000 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6.095079 7.732785 6.887805 2.438160 1.411656 1.412507 0.000000 2.939915 6.237435 2.968950 4.605337 1.110310 4.225974 2.181081 5.592722 2.181452 3.100842 2.849041 6.645349 2.808911 3.153145 2.143781 4.856546 4.342234 7.980378 3.873014 4.348125 4.907939 5.101776 0.000000 6.238205 2.938769 4.606137 2.967167 4.226670 1.110318 5.593504 2.181088 3.102097 2.181516 6.646132 2.848364 3.153890 2.809151 4.857240 2.144027 7.981294 4.341646 4.348951 3.873082 5.102342 4.908198 4.142736 0.000000 3.364048 8.270826 4.563689 6.916247 2.225557 5.997990 1.101713 7.071253 3.149687 4.724074 2.212682 8.376694 3.210013 3.970267 3.376975 6.969605 3.120598 9.632801 3.340657 4.655389 4.157870 4.748321 2.447023 5.882130 0.000000 2.869909 8.563520 3.948233 7.348160 2.188918 6.281015 1.106923 7.365339 2.753405 5.341194 2.184008 8.571714 3.296417 4.520335 2.885634 7.318563 2.702033 9.940089 3.222794 5.384696 4.377338 5.340754 3.080066 5.847180 1.789613 0.000000 8.271124 3.364062 6.916629 4.563813 5.998137 2.225501 7.071365 1.101716 4.724988 3.149303 8.376883 2.212661 3.970558 3.209556 6.970076 3.376902 9.633015 3.120750 4.655845 3.339757 4.748353 4.157293 5.881369 2.447245 7.070395 7.201528 0.000000 8.563889 2.870455 7.349286 3.949748 6.281096 2.188972 7.365325 1.106927 5.342298 2.753754 8.571811 2.184149 4.521352 3.297101 7.318514 2.884687 9.940133 2.702060 5.385914 3.223405 5.341874 4.378184 5.846391 3.080239 7.201401 7.736670 1.789599 0.000000 3.773122 6.619614 3.133171 5.819513 2.168744 4.453701 2.862622 5.479923 1.106447 4.079989 3.995631 6.498139 2.163674 3.453353 2.782995 5.547200 4.912944 7.934060 2.638641 4.599637 4.040008 4.847010 3.084092 3.724699 3.539760 2.550333 5.235619 6.123552 0.000000 4.059542 5.004059 2.698282 4.057007 2.155145 2.969200 3.542737 4.255533 1.104877 2.769859 4.510095 5.125439 2.195803 2.809567 2.709081 3.851885 5.774298 6.606176 3.398759 4.194283 4.617614 4.937661 2.501712 2.282480 4.095842 3.754213 4.318338 4.933855 1.769132 0.000000 6.619104 3.774436 5.820542 3.136227 4.452510 2.168693 5.478399 2.862554 4.079799 1.106446 6.497033 3.996130 3.453229 2.163641 5.545746 2.782522 7.932745 4.913460 4.599489 2.638635 4.846890 4.039959 3.722956 3.084096 5.233926 6.121885 3.539235 2.550521 5.121342 3.848813 0.000000 5.003829 4.059991 4.058176 2.699402 2.968234 2.155192 4.254490 3.542746 2.769607 1.104883 5.124778 4.510239 2.809459 2.195842 3.850539 2.709154 6.605442 5.774402 4.194164 3.398815 4.937594 4.617632 2.281159 2.501813 4.317300 4.932663 4.095604 3.754436 3.848638 2.397621 1.769089 0.000000 2.105518 9.012107 4.034592 7.157723 2.856871 7.072217 2.198310 8.421509 4.380572 5.886087 1.107826 9.489250 5.072761 5.698959 2.900932 7.609547 2.182270 10.818496 5.577312 6.638022 6.549170 7.025903 2.846375 6.928194 2.460973 3.089049 8.648090 8.614121 4.767995 4.964303 6.342005 5.069582 0.000000 9.012528 2.105553 7.158497 4.034187 7.072302 2.856939 8.421553 2.198268 5.886538 4.380627 9.489461 1.107826 5.698752 5.072319 7.609910 2.902060 10.818809 2.182257 6.637764 5.576616 7.025343 6.548413 6.927659 2.845754 8.648009 8.614125 2.460680 3.089041 6.343008 5.070216 4.768363 4.964498 9.741898 0.000000 2.709214 11.050829 5.004859 9.255003 4.537659 9.075870 3.552162 10.418558 5.848416 8.048801 2.177141 11.455462 6.727376 7.681667 4.066345 9.676702 1.103012 12.866391 6.908808 8.623518 7.958561 8.758211 4.989539 8.708819 4.074853 3.745378 10.497314 10.746290 5.774917 6.497870 8.653204 7.259665 2.509464 11.537665 0.000000 3.429800 10.942616 5.612020 9.338584 4.315284 8.767096 2.904101 9.955991 5.488830 7.597700 2.167411 11.165431 5.995900 6.950729 4.462342 9.589270 1.105617 12.504266 5.899322 7.662942 6.745151 7.582526 4.766266 8.485491 3.033755 2.977026 9.933417 10.176132 5.441784 6.361215 8.140868 6.995203 2.546679 11.319609 1.790771 0.000000 2.711451 10.589373 4.668058 9.078299 3.969865 8.465326 2.853345 9.690112 4.932245 7.548462 2.173982 10.780222 5.767131 6.938061 3.717148 9.283528 1.103895 12.206865 5.713836 7.846374 6.806526 7.802098 4.746081 7.970334 3.530905 2.518784 9.596854 10.099695 4.592363 5.714661 8.291722 6.918552 3.099198 10.762805 1.789929 1.794533 0.000000 11.050985 2.709217 9.255898 5.005067 9.075720 4.537549 10.418417 3.552196 8.049341 5.848775 11.455391 2.177162 7.682017 6.727626 9.676385 4.066083 12.866409 1.103011 8.624023 6.909140 8.758703 7.958980 8.707993 4.988774 10.497101 10.746196 4.074920 3.745500 8.654283 7.260240 5.775723 6.498117 11.537338 2.509474 13.557059 13.304371 12.935602 0.000000 10.942891 3.429782 9.339356 5.612323 8.767113 4.315119 9.955992 2.904000 7.598562 5.488813 11.165483 2.167407 6.951198 5.995917 9.589393 4.461820 12.504400 1.105615 7.663652 5.899190 7.583040 6.745269 8.484583 4.765949 9.933264 10.176253 3.033881 2.976711 8.142503 6.996136 5.441836 6.361167 11.319416 2.546664 13.304489 12.835619 12.521575 1.790778 0.000000 10.589315 2.711390 9.079157 4.668778 8.465017 3.969566 9.689822 2.853367 7.549174 4.932560 10.779930 2.173956 6.938863 5.767783 9.282840 3.715658 12.206615 1.103899 7.847534 5.714798 7.803425 6.807787 7.969201 4.745462 9.596510 10.099523 3.531190 2.518921 8.293028 6.919233 4.592966 5.714691 10.762269 3.099171 12.935321 12.521181 12.377652 1.789945 1.794529 0.000000 5.261543 7.775178 5.351120 7.298325 3.511731 5.411272 3.320322 5.991702 2.708558 4.755325 4.788416 7.316586 2.171989 3.443193 4.656875 6.814222 5.384938 8.534458 1.097281 3.895046 2.172195 3.430760 4.214539 4.969213 3.368462 2.717483 5.480741 6.368422 2.379498 3.666814 5.567479 4.922956 5.508880 7.304723 6.451024 5.454592 5.061592 9.435548 8.504629 8.783835 0.000000 7.774847 5.262313 7.298482 5.353532 5.410611 3.511395 5.990774 3.319768 4.755312 2.708509 7.316069 4.788266 3.443197 2.171970 6.813499 4.656128 8.533546 5.385125 3.895046 1.097281 3.430762 2.172213 4.968135 4.214325 5.479889 6.367049 3.367088 2.717627 5.567637 4.923097 2.379529 3.666876 7.304729 5.508111 9.434904 8.503604 8.782563 6.451342 5.454119 5.062477 4.992320 0.000000 7.432774 8.468572 7.609577 8.387005 5.472953 6.202096 5.172362 6.264009 4.712944 5.470654 6.671882 7.736734 3.461552 3.948241 6.857510 7.711992 7.227538 8.616933 2.179015 3.435887 1.095590 2.182525 5.816584 6.104941 4.711961 4.791037 5.616213 6.297113 4.717779 5.544391 5.921980 6.017467 7.156316 7.917362 8.323858 6.980485 7.063804 9.647975 8.371279 8.708353 2.501397 4.341687 0.000000 8.468108 7.433442 8.386199 7.611446 6.201763 5.472928 6.263484 5.172303 5.470676 4.712936 7.736476 6.671873 3.948273 3.461547 7.711799 6.857147 8.616129 7.228048 3.435901 2.179016 2.182531 1.095590 6.104319 5.816733 5.616058 6.295922 4.711172 4.791746 5.922106 6.017546 4.717758 5.544431 7.917925 7.155431 9.647408 8.370620 8.706859 8.324299 6.980475 7.065191 4.341679 2.501431 2.522560 0.000000 0.4187886 0.1507765 0.1180562 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= 258 258 258 258 258 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 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= 13304 LenP2D= 41707. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 264 RedAO= T EigKep= 5.38D-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= 255 255 256 257 257 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 0 1 -998.252807127626 -998.232470307514 0.020336820112 -998.548490632848 -0.316020325334 -998.579629869677 -0.031139236828 -998.719346056041 -0.139716186364 -998.726252634496 -0.006906578456 -998.726829256945 -0.000576622449 -998.726874291222 -0.000045034276 -998.726882482667 -0.000008191445 -998.727105827637 -0.000223344970 -998.727106487344 -0.000000659707 -998.727106336957 0.000000150387 -998.727106551468 -0.000000214511 -998.727106566124 -0.000000014657 -998.727106566754 -0.000000000630 -998.727106566922 -0.000000000167 -998.727106566916 0.000000000005 -998.727106567 17 9.949509356623e+02 -5.979306184209e+03 2.160486757519e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=621353264. IVT= 230894 IEndB= 230894 NGot= 939524096 MDV= 327475513 LenX= 327475513 LenY= 327405376 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= 34980 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 2.38579309e-03 -3.30030834e+00 -1.36325404e-02 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 8 8 8 8 6 6 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 0.010398189 0.005289402 -0.000220470 -0.010391556 0.005283392 0.000257206 -0.039896906 0.044750864 -0.038298332 0.039828769 0.044475201 0.038690533 -0.004229506 0.006753726 0.009518587 0.004241109 0.006855664 -0.009440371 -0.001850686 -0.011974730 0.009613149 0.001858359 -0.011897957 -0.009701267 -0.008371805 0.007240832 -0.012882985 0.008369257 0.007159057 0.012945979 0.008296572 0.001630269 0.007709999 -0.008307332 0.001666141 -0.007702711 0.004828564 0.001340371 -0.009086809 -0.004816358 0.001275296 0.009083060 0.019303119 -0.029591803 0.028920140 -0.019255357 -0.029373951 -0.029177841 0.010842742 0.000825536 -0.001823692 -0.010841362 0.000804655 0.001819000 0.003005903 -0.000680832 -0.002655392 -0.003008843 -0.000702417 0.002653505 0.004311566 -0.010617750 -0.002791024 -0.004304167 -0.010644983 0.002705786 0.011264140 0.000630930 -0.010737797 -0.011273434 0.000542667 0.010728737 0.000615346 0.000890360 -0.000019332 0.001423842 0.002234681 -0.001780704 -0.000614938 0.000885789 0.000025347 -0.001424034 0.002214099 0.001806383 0.000046056 -0.000944955 0.003897269 0.011130894 -0.002617646 0.002807082 -0.000055153 -0.000917697 -0.003910393 -0.011138532 -0.002606113 -0.002825592 0.001207862 -0.006659502 -0.001953287 -0.001204935 -0.006673758 0.001896992 0.001823598 0.002059196 0.001575972 0.001836953 -0.005138100 0.004034374 -0.004948213 -0.002144280 -0.003058545 -0.001821307 0.002070597 -0.001564009 -0.001828858 -0.005106957 -0.004077344 0.004949330 -0.002167625 0.003042889 0.003390561 0.001091123 -0.003400788 -0.003392059 0.001065196 0.003410092 0.001808429 -0.004281533 -0.001379023 -0.001805819 -0.004292457 0.001345625 0.044750864 0.011729599 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -998.754200185709 -998.754227271128 -0.000027085418 -998.754227092991 0.000000178137 -998.754227445417 -0.000000352426 -998.754227522730 -0.000000077313 -998.754227543598 -0.000000020868 -998.754227544248 -0.000000000650 -998.754227544281 -0.000000000033 -998.754227544235 0.000000000045 -998.754227544 9 9.938590453261e+02 -5.868789051278e+03 2.105992314151e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=621353264. IVT= 230894 IEndB= 230894 NGot= 939524096 MDV= 327475513 LenX= 327475513 LenY= 327405376 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= 34980 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 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 V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.801000 -18.800979 -18.758713 -18.758694 -10.023933 -10.023917 -9.974165 -9.974156 -9.936075 -9.936057 -9.926378 -9.926122 -9.920094 -9.920089 -9.916470 -9.916451 -9.916340 -9.916033 -9.914701 -9.914684 -9.902769 -9.902763 -1.001652 -1.001636 -0.937256 -0.937239 -0.797005 -0.758568 -0.755545 -0.721078 -0.717517 -0.693382 -0.690381 -0.643211 -0.631614 -0.597733 -0.588337 -0.559569 -0.554882 -0.551058 -0.523861 -0.498403 -0.495469 -0.480495 -0.478372 -0.457889 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C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 7 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 8 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 9 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 10 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 11 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 12 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 13 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 14 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 15 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 16 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 17 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 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 22 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 23 H 1S 2S 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 39 H 1S 2S 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 43 H 1S 2S 44 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 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 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|22 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|39 H 1S|2S|40 H 1S|2S|41 H 1S|2S|42 H 1S|2S|43 H 1S|2S|44 H 1S|2S 1.13248 0.85918 0.96036 0.89583 1.06726 1.13790 1.18613 0.24766 0.34554 0.38540 1.13248 0.85918 0.96036 0.89580 1.06770 1.13882 1.18476 0.24795 0.34651 0.38416 1.13254 0.85913 0.97987 0.85170 1.22861 1.12459 1.02063 0.39473 0.28971 0.32589 1.13254 0.85913 0.97988 0.85165 1.22850 1.12398 1.02133 0.39483 0.29003 0.32563 1.17431 0.81402 0.72540 0.59925 0.88115 0.84328 0.90659 0.06024 0.06625 0.14912 1.17431 0.81402 0.72540 0.59925 0.88108 0.84363 0.90633 0.06033 0.06651 0.14893 1.17427 0.81419 0.72431 0.64429 0.84656 0.89654 0.93160 0.05766 0.13015 0.25157 1.17427 0.81419 0.72429 0.64429 0.84659 0.89636 0.93177 0.05766 0.12941 0.25235 1.17423 0.81408 0.71702 0.75089 0.89216 0.90047 0.89083 0.18135 0.18031 0.16199 1.17423 0.81408 0.71701 0.75094 0.89206 0.90060 0.89082 0.18103 0.18064 0.16171 1.17450 0.81403 0.74794 0.55397 0.90160 0.73301 0.89006 0.01456 0.05251 0.12164 1.17450 0.81403 0.74794 0.55398 0.90164 0.73430 0.88872 0.01461 0.05311 0.12116 1.17439 0.81384 0.75110 0.44012 0.84558 0.90692 0.82734 -0.03373 -0.11745 0.01692 1.17439 0.81384 0.75110 0.44014 0.84558 0.90707 0.82720 -0.03360 -0.11749 0.01688 1.17467 0.81390 0.80384 0.26050 0.78969 0.88192 0.75690 0.08790 0.11515 0.12631 1.17467 0.81390 0.80385 0.26062 0.78973 0.88129 0.75749 0.08773 0.11543 0.12600 1.17422 0.81432 0.72767 0.68627 0.87021 0.92663 0.92542 0.13988 0.21480 0.21830 1.17422 0.81432 0.72767 0.68623 0.87026 0.92657 0.92542 0.13993 0.21486 0.21818 1.17439 0.81400 0.75249 0.55237 0.85408 0.91724 0.84245 0.22989 0.03413 0.24012 1.17439 0.81400 0.75249 0.55236 0.85408 0.91723 0.84247 0.22986 0.03403 0.24021 1.17441 0.81414 0.75368 0.53819 0.84367 0.93318 0.83006 0.11985 0.11440 0.13724 1.17441 0.81414 0.75368 0.53819 0.84365 0.93330 0.82995 0.11976 0.11513 0.13662 0.51047 0.21924 0.51045 0.21901 0.51189 0.24293 0.51171 0.27217 0.51189 0.24289 0.51171 0.27220 0.51252 0.25803 0.51185 0.24094 0.51253 0.25810 0.51186 0.24097 0.51689 0.25621 0.51688 0.25620 0.50835 0.24778 0.50723 0.27900 0.50815 0.26410 0.50835 0.24779 0.50724 0.27899 0.50815 0.26413 0.51695 0.24738 0.51695 0.24741 0.51590 0.25374 0.51590 0.25374 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 C C 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 -0.217741 -0.217724 -0.207407 -0.207492 -0.219615 -0.219792 -0.471124 -0.471182 -0.663349 -0.663124 -0.003820 -0.004001 0.374972 0.374882 0.189231 0.189311 -0.697718 -0.697658 -0.411145 -0.411110 -0.258799 -0.258819 0.270281 0.270545 0.245180 0.216114 0.245224 0.216089 0.229453 0.247204 0.229367 0.247170 0.226906 0.226927 0.243871 0.213766 0.227745 0.243866 0.213772 0.227719 0.235669 0.235638 0.230359 0.230359 0.00000 6.98625752e-04 -3.41571188e+00 -8.17318292e-03 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.0018 -8.6819 -0.0208 8.6819 -111.5150 -155.8591 -129.2142 -0.0131 10.6695 -0.0744 20.6811 -23.6630 2.9819 -0.0131 10.6695 -0.0744 0.0642 -121.5164 -0.4522 -0.2795 -84.6673 -0.3492 0.2865 -9.7306 -0.4255 45.7097 -7747.4468 -2893.9962 -521.4749 -1.6920 344.7624 -2.2655 -3.6818 130.0354 -4.2810 -2163.9652 -1456.6525 -597.9979 -2.2495 106.8919 -0.0973 0 -998.7542275 4.895E-9 8.275E-5 15.3758896,-17.5928526,2.216963,-0.0097286,7.9325083,-0.0553337 C01 [X(C18H22O4)] 0.0006986 -3.4157119 -0.0081732 @ -0.000115831 0.000015775 0.000108255 0.000093848 -0.000102525 0.000086621 -0.000072779 0.000099122 0.000170796 -0.000010630 -0.000084791 0.000160174 0.000066330 0.000120122 0.000284193 -0.000151580 -0.000033970 0.000042921 -0.000032954 0.000063113 -0.000037214 0.000051256 0.000037095 -0.000003581 -0.000090961 -0.000057131 -0.000093247 0.000087887 -0.000093968 0.000078424 0.000011254 0.000039483 0.000032739 -0.000035357 0.000010500 0.000021667 0.000070750 0.000018842 -0.000004846 -0.000050174 0.000013702 0.000022400 0.000215348 -0.000245288 -0.000464795 0.000009920 0.000230221 -0.000429214 -0.000009674 0.000014430 -0.000006010 0.000003050 -0.000005887 -0.000000123 0.000007763 0.000041916 0.000004776 -0.000012159 0.000044742 -0.000011489 -0.000024500 -0.000019950 -0.000029032 0.000024850 -0.000019983 0.000027645 -0.000044844 -0.000045260 -0.000009288 0.000017076 0.000030937 0.000040162 0.000003030 -0.000017085 -0.000014257 0.000022276 -0.000023204 0.000018165 -0.000010570 -0.000020957 0.000015212 -0.000026948 -0.000021783 -0.000015274 -0.000005124 0.000020112 0.000007846 0.000007169 0.000009942 0.000009372 0.000005292 0.000009853 -0.000003828 -0.000008479 0.000011132 -0.000020665 0.000014343 -0.000017578 0.000006259 -0.000002281 0.000011374 0.000007520 0.000003071 0.000000037 0.000006164 -0.000006865 0.000000510 0.000011266 -0.000001143 -0.000009368 -0.000007111 -0.000000965 0.000000409 -0.000005275 0.000000414 -0.000001835 -0.000012436 0.000000098 -0.000010334 0.000006082 0.000001268 -0.000001833 -0.000008010 -0.000002530 -0.000002487 0.000007551 -0.000000718 -0.000003984 0.000003573 0.000000771 -0.000004169 -0.000004088 280.19019999999983 AuxInfo=1/0/N:17,18,21,22,19,20,7,8,9,10,11,12,13,14,5,6,15,16,3,4,1,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/CRV:3.3,4.3,5.3,6.3,13.3,14.3,17.3,18.3,19.1,20.1/rA:44OOO1O1CCCCCCCCC3C3C3C3CCC3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s5;s6;s5;s6;s1s7;s2s8;s9;s10s13;s1s3s5;s2s4s6;s11;s12;s13;s14;s19;s20s21;s5;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s12;s17;s17;s17;s18;s18;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2028 CBGUSER 000283761 EM64L-G09RevD.01 27-Mar-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 126 C1[X(C18H22O4)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 280.19019999999983 0 1 AuxInfo=1/0/N:17,18,21,22,19,20,7,8,9,10,11,12,13,14,5,6,15,16,3,4,1,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/CRV:3.3,4.3,5.3,6.3,13.3,14.3,17.3,18.3,19.1,20.1/rA:44OOO1O1CCCCCCCCC3C3C3C3CCC3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s5;s6;s5;s6;s1s7;s2s8;s9;s10s13;s1s3s5;s2s4s6;s11;s12;s13;s14;s19;s20s21;s5;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s12;s17;s17;s17;s18;s18;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-24991.inp" -scrdir="/scratch/" chk=000283761-Freq.chk nprocshared=4 mem=7GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000283761 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 12 12 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 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 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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| 0.000484 0.000083 0.016830 0.005957 0.000450 0.000300 0.001800 0.001200 NO YES NO NO -2.706724e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1770.1834605897 264 616 264 81 81 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 0 280.19019999999983 AuxInfo=1/0/N:17,18,21,22,19,20,7,8,9,10,11,12,13,14,5,6,15,16,3,4,1,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/CRV:3.3,4.3,5.3,6.3,13.3,14.3,17.3,18.3,19.1,20.1/rA:44OOO1O1CCCCCCCCC3C3C3C3CCC3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s5;s6;s5;s6;s1s7;s2s8;s9;s10s13;s1s3s5;s2s4s6;s11;s12;s13;s14;s19;s20s21;s5;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s12;s17;s17;s17;s18;s18;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 8.512876 0.000000 2.325092 6.745487 0.000000 6.744510 2.325151 5.133132 0.000000 2.412361 6.682187 2.508582 5.232433 0.000000 6.682535 2.412287 5.233536 2.508616 4.565899 0.000000 2.412119 8.109043 3.614045 6.692186 1.546668 5.886162 0.000000 8.109365 2.412291 6.693040 3.614569 5.886218 1.546637 7.075884 0.000000 3.694414 5.881205 2.995914 4.928632 1.551193 3.643869 2.640920 4.797468 0.000000 5.880980 3.695058 4.929404 2.997502 3.643108 1.551207 4.796561 2.640917 3.064130 0.000000 1.512597 8.987550 3.574158 7.283577 2.427562 6.946162 1.547352 8.269906 3.832429 5.878183 0.000000 8.987764 1.512599 7.284407 3.574204 6.946071 2.427469 8.269800 1.547386 5.878744 3.832618 9.347238 0.000000 4.910543 5.796383 4.478090 5.209229 2.563147 3.388233 3.206489 4.183067 1.524463 2.588847 4.656914 5.529864 0.000000 5.796128 4.910966 5.209051 4.479238 3.387803 2.563229 4.182524 3.206559 2.588862 1.524458 5.529634 4.656937 1.429929 0.000000 1.411005 7.165530 1.241428 5.513013 1.543028 5.355802 2.418809 6.792752 2.556107 4.710175 2.387225 7.614754 3.923902 4.747414 0.000000 7.166327 1.411014 5.515570 1.241429 5.355887 1.542989 6.792644 2.418445 4.711121 2.555975 7.614873 2.387266 4.747841 3.923855 5.848387 0.000000 2.459198 10.441801 4.686014 8.784650 3.790700 8.349967 2.609692 9.622549 5.010629 7.299756 1.524698 10.732433 5.778759 6.789415 3.615181 9.086152 0.000000 10.441955 2.459179 8.785503 4.686376 8.349843 3.790532 9.622426 2.609700 7.300453 5.010864 10.732362 1.524701 6.789919 5.779034 9.085900 3.614537 12.127974 0.000000 5.531585 7.000252 5.456828 6.602701 3.431570 4.614838 3.493021 5.116499 2.534349 3.871091 5.035828 6.523844 1.419196 2.452444 4.779619 6.060989 5.859226 7.678589 0.000000 6.999914 5.532205 6.602442 5.458633 4.614358 3.431487 5.115817 3.492867 3.871107 2.534336 6.523512 5.035791 2.452466 1.419193 6.060541 4.779253 7.677863 5.859557 2.797778 0.000000 6.793859 7.443712 6.804901 7.299496 4.661325 5.148860 4.590913 5.300331 3.849917 4.375311 6.127139 6.794792 2.473572 2.852715 6.095283 6.643750 6.887289 7.733476 1.411659 2.438146 0.000000 7.443262 6.794442 7.298633 6.806446 5.148569 4.661388 5.299885 4.590995 4.375337 3.849906 6.794587 6.127182 2.852746 2.473564 6.643608 6.095079 7.732785 6.887805 2.438161 1.411656 1.412507 0.000000 2.939915 6.237435 2.968949 4.605336 1.110311 4.225974 2.181081 5.592721 2.181452 3.100842 2.849041 6.645349 2.808911 3.153144 2.143780 4.856546 4.342234 7.980378 3.873015 4.348125 4.907940 5.101776 0.000000 6.238205 2.938769 4.606137 2.967167 4.226669 1.110317 5.593503 2.181088 3.102097 2.181515 6.646131 2.848365 3.153890 2.809150 4.857240 2.144027 7.981294 4.341647 4.348951 3.873081 5.102342 4.908197 4.142736 0.000000 3.364048 8.270826 4.563688 6.916247 2.225556 5.997990 1.101713 7.071253 3.149687 4.724074 2.212682 8.376695 3.210012 3.970266 3.376975 6.969604 3.120599 9.632802 3.340657 4.655389 4.157870 4.748321 2.447023 5.882130 0.000000 2.869908 8.563520 3.948232 7.348160 2.188917 6.281015 1.106924 7.365339 2.753405 5.341194 2.184007 8.571715 3.296417 4.520336 2.885633 7.318563 2.702032 9.940089 3.222794 5.384697 4.377339 5.340755 3.080066 5.847179 1.789613 0.000000 8.271123 3.364062 6.916629 4.563813 5.998137 2.225500 7.071365 1.101716 4.724988 3.149303 8.376883 2.212661 3.970558 3.209556 6.970075 3.376902 9.633014 3.120750 4.655845 3.339757 4.748353 4.157292 5.881368 2.447245 7.070394 7.201528 0.000000 8.563889 2.870455 7.349286 3.949749 6.281096 2.188972 7.365325 1.106927 5.342299 2.753755 8.571811 2.184150 4.521352 3.297101 7.318514 2.884687 9.940133 2.702061 5.385914 3.223405 5.341874 4.378184 5.846391 3.080240 7.201401 7.736670 1.789599 0.000000 3.773122 6.619614 3.133171 5.819513 2.168744 4.453702 2.862622 5.479924 1.106447 4.079989 3.995631 6.498139 2.163674 3.453354 2.782995 5.547200 4.912944 7.934060 2.638641 4.599637 4.040008 4.847010 3.084093 3.724699 3.539760 2.550333 5.235619 6.123552 0.000000 4.059543 5.004059 2.698282 4.057007 2.155146 2.969200 3.542737 4.255533 1.104877 2.769858 4.510095 5.125439 2.195803 2.809566 2.709081 3.851885 5.774298 6.606176 3.398758 4.194283 4.617614 4.937661 2.501712 2.282479 4.095842 3.754213 4.318338 4.933855 1.769132 0.000000 6.619103 3.774437 5.820542 3.136228 4.452511 2.168694 5.478399 2.862554 4.079800 1.106447 6.497032 3.996131 3.453229 2.163640 5.545746 2.782522 7.932745 4.913461 4.599489 2.638635 4.846890 4.039959 3.722956 3.084096 5.233926 6.121886 3.539235 2.550521 5.121342 3.848812 0.000000 5.003829 4.059991 4.058176 2.699402 2.968235 2.155193 4.254490 3.542746 2.769608 1.104883 5.124778 4.510240 2.809459 2.195842 3.850538 2.709153 6.605442 5.774402 4.194164 3.398816 4.937594 4.617632 2.281159 2.501813 4.317300 4.932664 4.095604 3.754437 3.848639 2.397621 1.769089 0.000000 2.105517 9.012108 4.034592 7.157723 2.856871 7.072218 2.198309 8.421509 4.380572 5.886086 1.107825 9.489251 5.072761 5.698958 2.900931 7.609547 2.182270 10.818497 5.577311 6.638023 6.549170 7.025903 2.846376 6.928193 2.460973 3.089049 8.648089 8.614121 4.767995 4.964303 6.342005 5.069582 0.000000 9.012528 2.105553 7.158497 4.034188 7.072302 2.856939 8.421552 2.198268 5.886538 4.380627 9.489461 1.107825 5.698753 5.072319 7.609910 2.902061 10.818809 2.182257 6.637764 5.576616 7.025343 6.548413 6.927659 2.845754 8.648009 8.614125 2.460679 3.089041 6.343008 5.070216 4.768363 4.964498 9.741899 0.000000 2.709214 11.050829 5.004858 9.255003 4.537659 9.075870 3.552161 10.418557 5.848415 8.048800 2.177141 11.455462 6.727376 7.681667 4.066345 9.676702 1.103011 12.866391 6.908807 8.623518 7.958560 8.758211 4.989539 8.708818 4.074853 3.745377 10.497313 10.746289 5.774917 6.497869 8.653204 7.259665 2.509463 11.537664 0.000000 3.429800 10.942616 5.612019 9.338584 4.315284 8.767096 2.904100 9.955990 5.488829 7.597700 2.167410 11.165431 5.995899 6.950729 4.462342 9.589269 1.105617 12.504266 5.899321 7.662942 6.745151 7.582526 4.766266 8.485490 3.033754 2.977026 9.933416 10.176131 5.441784 6.361215 8.140868 6.995203 2.546679 11.319609 1.790771 0.000000 2.711451 10.589373 4.668058 9.078299 3.969864 8.465326 2.853346 9.690113 4.932245 7.548462 2.173982 10.780223 5.767131 6.938061 3.717149 9.283528 1.103895 12.206866 5.713836 7.846375 6.806527 7.802099 4.746082 7.970334 3.530905 2.518784 9.596855 10.099696 4.592364 5.714662 8.291723 6.918553 3.099198 10.762805 1.789928 1.794533 0.000000 11.050986 2.709217 9.255899 5.005068 9.075721 4.537549 10.418417 3.552197 8.049342 5.848776 11.455391 2.177162 7.682017 6.727626 9.676386 4.066084 12.866409 1.103011 8.624024 6.909140 8.758704 7.958980 8.707993 4.988775 10.497102 10.746197 4.074920 3.745500 8.654284 7.260240 5.775724 6.498117 11.537339 2.509474 13.557059 13.304371 12.935603 0.000000 10.942891 3.429782 9.339356 5.612323 8.767113 4.315119 9.955992 2.904000 7.598562 5.488813 11.165482 2.167406 6.951198 5.995916 9.589393 4.461820 12.504400 1.105615 7.663652 5.899189 7.583039 6.745269 8.484582 4.765949 9.933263 10.176253 3.033881 2.976711 8.142502 6.996135 5.441836 6.361166 11.319416 2.546663 13.304489 12.835619 12.521575 1.790778 0.000000 10.589314 2.711389 9.079156 4.668778 8.465017 3.969565 9.689821 2.853366 7.549173 4.932560 10.779929 2.173955 6.938863 5.767782 9.282839 3.715658 12.206614 1.103899 7.847533 5.714798 7.803424 6.807786 7.969200 4.745462 9.596509 10.099523 3.531189 2.518921 8.293027 6.919232 4.592965 5.714691 10.762269 3.099171 12.935320 12.521180 12.377652 1.789945 1.794529 0.000000 5.261543 7.775178 5.351120 7.298326 3.511731 5.411273 3.320322 5.991703 2.708558 4.755325 4.788416 7.316587 2.171989 3.443194 4.656875 6.814222 5.384938 8.534459 1.097282 3.895047 2.172195 3.430760 4.214540 4.969213 3.368463 2.717483 5.480741 6.368423 2.379498 3.666815 5.567479 4.922957 5.508880 7.304723 6.451023 5.454591 5.061592 9.435549 8.504629 8.783835 0.000000 7.774847 5.262314 7.298482 5.353533 5.410611 3.511395 5.990773 3.319768 4.755312 2.708510 7.316069 4.788267 3.443197 2.171970 6.813499 4.656128 8.533546 5.385126 3.895045 1.097281 3.430761 2.172212 4.968136 4.214326 5.479889 6.367049 3.367088 2.717627 5.567637 4.923097 2.379530 3.666877 7.304729 5.508112 9.434903 8.503603 8.782564 6.451343 5.454119 5.062477 4.992320 0.000000 7.432773 8.468572 7.609577 8.387006 5.472952 6.202096 5.172362 6.264008 4.712945 5.470654 6.671882 7.736735 3.461552 3.948242 6.857510 7.711992 7.227538 8.616933 2.179015 3.435887 1.095590 2.182525 5.816585 6.104941 4.711962 4.791037 5.616213 6.297112 4.717779 5.544391 5.921980 6.017467 7.156316 7.917362 8.323857 6.980484 7.063804 9.647976 8.371279 8.708353 2.501397 4.341686 0.000000 8.468108 7.433442 8.386199 7.611446 6.201763 5.472927 6.263485 5.172302 5.470677 4.712937 7.736475 6.671873 3.948272 3.461547 7.711799 6.857146 8.616129 7.228048 3.435901 2.179016 2.182531 1.095589 6.104319 5.816733 5.616058 6.295922 4.711172 4.791746 5.922106 6.017545 4.717758 5.544431 7.917925 7.155431 9.647407 8.370620 8.706859 8.324299 6.980475 7.065191 4.341679 2.501431 2.522560 0.000000 C18H22O4 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 0 280.19019999999983 AuxInfo=1/0/N:17,18,21,22,19,20,7,8,9,10,11,12,13,14,5,6,15,16,3,4,1,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/CRV:3.3,4.3,5.3,6.3,13.3,14.3,17.3,18.3,19.1,20.1/rA:44OOO1O1CCCCCCCCC3C3C3C3CCC3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s5;s6;s5;s6;s1s7;s2s8;s9;s10s13;s1s3s5;s2s4s6;s11;s12;s13;s14;s19;s20s21;s5;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s12;s17;s17;s17;s18;s18;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4187886 0.1507765 0.1180562 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= 13304 LenP2D= 41707. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 264 RedAO= T EigKep= 5.38D-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= 254 255 256 256 256 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 0 1 -998.286391527373 -998.191850754060 0.094540773313 -998.538875014808 -0.347024260749 -998.554097797517 -0.015222782709 -998.733191243438 -0.179093445921 -998.752808733288 -0.019617489850 -998.753918787123 -0.001110053835 -998.754012895868 -0.000094108746 -998.754029213281 -0.000016317413 -998.754251949895 -0.000222736614 -998.754252185045 -0.000000235149 -998.754252188163 -0.000000003118 -998.754252352066 -0.000000163903 -998.754252384092 -0.000000032026 -998.754252384668 -0.000000000575 -998.754252384774 -0.000000000106 -998.754252384814 -0.000000000040 -998.754252385 17 9.938590151155e+02 -5.868789164969e+03 2.105992436879e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=621353704. IVT= 231334 IEndB= 231334 NGot= 939524096 MDV= 327475073 LenX= 327475073 LenY= 327404936 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= 34980 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= 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= 939523388 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=621135368. 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= 34980 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 135 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 132 vectors produced by pass 0 Test12= 1.48D-14 1.00D-09 XBig12= 3.20D+02 7.05D+00. AX will form 132 AO Fock derivatives at one time. 132 vectors produced by pass 1 Test12= 1.48D-14 1.00D-09 XBig12= 1.46D+02 3.04D+00. 132 vectors produced by pass 2 Test12= 1.48D-14 1.00D-09 XBig12= 3.45D-01 5.60D-02. 132 vectors produced by pass 3 Test12= 1.48D-14 1.00D-09 XBig12= 1.23D-04 1.03D-03. 73 vectors produced by pass 4 Test12= 1.48D-14 1.00D-09 XBig12= 1.62D-08 9.44D-06. 7 vectors produced by pass 5 Test12= 1.48D-14 1.00D-09 XBig12= 2.96D-12 1.09D-07. 3 vectors produced by pass 6 Test12= 1.48D-14 1.00D-09 XBig12= 1.36D-15 3.27D-09. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 611 with 135 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 198.12 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 234.513 -0.021 213.509 4.632 -0.007 146.332 353.633 -0.069 391.031 20.761 -0.049 282.591 (Enter /mnt/data/applications/G09/g09/l716.exe) PT4512S 2018-03-27T01:50:17.000+02:00 -18.80100 -18.80098 -18.75871 -18.75869 -10.02393 -10.02392 -9.97416 -9.97415 -9.93608 -9.93606 -9.92638 -9.92612 -9.92009 -9.92009 -9.91647 -9.91645 -9.91634 -9.91603 -9.91470 -9.91468 -9.90277 -9.90276 -1.00165 -1.00163 -0.93725 -0.93724 -0.79701 -0.75857 -0.75554 -0.72108 -0.71752 -0.69338 -0.69038 -0.64321 -0.63161 -0.59773 -0.58834 -0.55957 -0.55488 -0.55106 -0.52386 -0.49840 -0.49547 -0.48050 -0.47837 -0.45789 -0.44201 -0.42288 -0.41518 -0.41398 -0.40962 -0.40383 -0.40217 -0.39887 -0.38199 -0.37825 -0.37305 -0.37240 -0.36117 -0.36051 -0.35912 -0.35781 -0.35358 -0.34500 -0.34380 -0.34033 -0.32954 -0.31974 -0.31300 -0.30938 -0.30720 -0.30505 -0.30069 -0.29767 -0.29332 -0.25098 -0.25087 -0.23470 -0.23082 -0.22281 -0.21900 -0.05513 -0.04925 -0.04480 -0.04059 0.04366 0.04504 0.06655 0.07109 0.07173 0.07820 0.08106 0.08363 0.08494 0.09104 0.10786 0.11139 0.11538 0.11767 0.11970 0.12401 0.12520 0.13134 0.13139 0.13717 0.15082 0.15217 0.15869 0.16419 0.16744 0.16876 0.17048 0.17140 0.17583 0.17667 0.18209 0.18538 0.20129 0.20925 0.21505 0.21940 0.22491 0.23675 0.23937 0.23973 0.24082 0.25113 0.25384 0.25901 0.26462 0.27544 0.27617 0.28245 0.28821 0.29921 0.30225 0.30957 0.30976 0.32135 0.32249 0.32482 0.33147 0.34578 0.34646 0.34883 0.35831 0.35969 0.36329 0.37117 0.37402 0.37693 0.37911 0.38472 0.38774 0.39806 0.40504 0.41299 0.42029 0.42386 0.43356 0.44181 0.44594 0.44895 0.46292 0.46739 0.47722 0.48657 0.49924 0.51290 0.51518 0.51997 0.53154 0.54185 0.54785 0.55547 0.56727 0.57597 0.57965 0.60925 0.63124 0.64660 0.65511 0.67262 0.68097 0.71919 0.73312 0.75251 0.75329 0.75690 0.75841 0.80882 0.82195 0.82606 0.84448 0.84475 0.85809 0.86110 0.88157 0.88842 0.89704 0.91270 0.91986 0.92803 0.93813 0.95316 0.96377 0.98124 0.98468 0.99507 0.99776 1.01977 1.02425 1.03648 1.04464 1.06225 1.06664 1.07826 1.08239 1.08396 1.08951 1.10830 1.10974 1.16228 1.17794 1.19598 1.20449 1.22058 1.22699 1.24246 1.24570 1.25783 1.30308 1.31233 1.39390 1.41395 1.43734 1.46943 1.54370 1.66086 1.66857 1.74519 1.75810 22.31724 22.42302 22.42523 22.48838 22.49303 22.53681 22.56837 22.59050 22.59624 22.61635 22.61833 22.64524 22.64898 22.67503 22.67841 22.67988 22.70345 22.78707 41.50426 41.50452 41.55644 41.56394 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 C C 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 -0.217764 -0.217746 -0.207408 -0.207493 -0.219705 -0.219899 -0.471090 -0.471138 -0.663307 -0.663059 -0.003790 -0.003978 0.374926 0.374828 0.189256 0.189337 -0.697703 -0.697644 -0.411190 -0.411150 -0.258809 -0.258826 0.270310 0.270576 0.245177 0.216111 0.245221 0.216084 0.229440 0.247234 0.229354 0.247199 0.226900 0.226921 0.243866 0.213763 0.227740 0.243861 0.213770 0.227715 0.235704 0.235677 0.230365 0.230365 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 C C C C C C C C C C C C C C C C C C -0.217764 -0.217746 -0.207408 -0.207493 0.050605 0.050677 -0.009803 -0.009833 -0.186633 -0.186507 0.223110 0.222943 0.374926 0.374828 0.189256 0.189337 -0.012334 -0.012298 -0.175486 -0.175473 -0.028444 -0.028461 0.00000 -7.30986073e-04 3.41584058e+00 -3.44307804e-03 2.34512523e+02 -2.08290539e-02 2.13509397e+02 4.63154229e+00 -7.46487969e-03 1.46332241e+02 -5.1844 -2.2255 -0.0009 -0.0004 0.0004 8.3307 16.0996 26.9735 28.3241 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 15.9873 26.9481 28.2785 47.7260 61.2882 69.5539 74.2820 104.5375 120.6659 120.7621 147.0713 162.2533 206.3387 207.2985 208.2308 262.3077 284.2736 297.3401 298.2965 358.1393 390.7325 410.5513 440.0515 440.7351 446.0842 481.1198 495.7296 517.8384 549.9938 568.6928 576.2191 591.7728 594.5621 605.3892 651.3781 657.0613 739.3959 745.5552 757.1888 787.4631 813.5065 833.2478 848.6713 852.6202 865.9682 878.5553 891.4692 915.9837 916.7978 928.6931 932.1317 955.7545 975.9050 976.6454 989.2076 1035.2010 1035.8426 1051.7605 1065.6131 1077.9553 1081.3119 1087.3146 1108.6806 1116.7962 1128.5214 1148.2203 1148.5179 1175.5481 1181.3239 1182.6092 1190.7768 1190.8209 1205.4061 1228.4671 1248.2335 1250.2045 1272.9559 1279.7466 1300.4167 1301.0199 1304.7924 1312.8864 1321.3354 1328.2427 1329.3762 1353.5306 1353.6692 1378.6206 1393.5554 1393.5958 1436.9857 1456.7294 1456.8318 1463.0520 1463.5012 1471.0397 1476.5503 1476.5640 1483.8503 1491.8238 1586.1528 1611.5657 1694.6831 1698.1113 2972.6195 2972.7045 2991.3680 2991.3955 2997.1504 2997.2149 3001.7463 3003.4400 3007.8255 3007.8525 3056.9982 3061.9527 3087.8853 3087.9031 3093.0826 3093.1087 3103.7391 3103.7558 3112.4983 3116.4981 3138.3192 3160.6812 4.3706 6.1618 5.6597 3.6752 4.1559 4.0420 3.1157 2.9826 5.2917 5.3050 3.5781 6.2338 1.1235 1.1551 5.0190 3.5873 2.7658 3.2748 3.4326 3.4883 2.0368 2.1519 2.6679 2.7200 3.0065 4.1495 4.9019 5.1849 3.3166 3.3836 4.1273 4.1347 5.4262 5.6251 5.1819 5.1544 4.0020 5.0585 1.4467 3.2135 3.7482 3.4140 3.4781 2.5861 1.5942 1.7755 1.6922 2.1792 2.3586 1.9337 2.2457 1.4157 1.8748 1.8865 1.3233 1.8557 1.8197 2.1509 2.0188 2.3521 3.0371 2.0570 2.8434 2.7989 1.9502 2.0446 2.0330 1.0884 1.6358 1.6806 1.6341 1.6224 1.5144 2.2006 1.3114 1.2800 1.3325 1.3577 1.2147 1.2194 1.3691 1.5187 1.4753 1.5865 1.4341 1.5456 1.5535 5.4665 1.2546 1.2552 2.2109 1.0736 1.0696 1.0749 1.0707 1.1124 1.0490 1.0490 2.1374 1.1961 6.5776 6.3036 12.7489 12.7435 1.0811 1.0813 1.0375 1.0376 1.0790 1.0794 1.0628 1.0632 1.0684 1.0683 1.1010 1.1002 1.0995 1.0995 1.0997 1.0997 1.1006 1.1006 1.0867 1.0893 1.0923 1.1005 0.0007 0.0026 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