Gaussian 09 GINC-KIMIK2026 CBGUSER 000280279 EM64L-G09RevD.01 25-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 294.1968999999998 0 1 AuxInfo=1/0/N:23,22,21,17,19,15,13,12,10,8,11,9,7,6,20,18,16,14,5,4,3,2,1/CRV:4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,15.3,16.3,17.3,18.3/rA:44OOOONCC3CC3CC3C3C3C3C3C3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s5s6;s7;s5s9;s6;s7;s9;s1s12;s11;s2s13s14;s11;s3s15;s17;s4s18s19;s1;s2;s3;s6;s8;s8;s10;s10;s5;s12;s13;s15;s17;s19;s21;s21;s21;s22;s22;s22;s4;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-11643.inp" -scrdir="/scratch/" chk=000280279.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 000280279 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 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 15.9949146 15.9949146 15.9949146 15.9949146 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 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 0 0 0 0 2 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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 3 4 4 5 5 5 6 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 15 15 17 17 18 19 19 21 21 21 22 22 22 23 23 23 14 21 16 22 18 23 20 41 8 10 29 7 8 11 24 9 12 25 26 10 13 27 28 15 17 14 30 16 31 16 18 32 19 33 20 20 34 35 36 37 38 39 40 42 43 44 1.3917 1.4549 1.3888 1.4546 1.3737 1.4511 1.3844 0.989 1.4906 1.4947 1.0267 1.5124 1.5486 1.5135 1.1271 1.4081 1.4022 1.1116 1.1112 1.5089 1.4031 1.115 1.1182 1.402 1.4011 1.3964 1.0917 1.3971 1.0891 1.4125 1.4018 1.0908 1.3983 1.0887 1.4177 1.3967 1.0873 1.0935 1.0957 1.0947 1.0965 1.0947 1.0933 1.0949 1.095 1.0954 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 14 16 18 20 8 8 10 7 7 7 8 8 11 6 6 9 5 5 5 6 6 25 7 7 10 5 5 5 9 9 27 6 6 15 7 7 14 9 9 16 1 1 12 11 11 18 2 2 13 11 11 19 3 3 15 17 17 20 4 4 18 1 1 1 35 35 36 2 2 2 38 38 39 3 3 3 42 42 43 1 2 3 4 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 21 22 23 41 10 29 29 8 11 24 11 24 24 9 12 12 6 25 26 25 26 26 10 13 13 9 27 28 27 28 28 15 17 17 14 30 30 16 31 31 12 16 16 18 32 32 13 14 14 19 33 33 15 20 20 20 34 34 18 19 19 35 36 37 36 37 37 38 39 40 39 40 40 42 43 44 43 44 44 113.3862 114.2183 117.8332 110.8177 112.0519 109.5344 108.9566 111.0107 113.6631 105.9576 108.7747 107.5387 109.6978 120.0274 120.1465 119.7845 108.1 108.1824 113.6952 109.6098 110.0555 107.1366 122.256 120.1093 117.6346 113.2625 112.7922 105.8679 108.5253 109.2545 106.8789 120.3414 119.7488 119.899 120.1331 121.0091 118.8574 120.0022 121.2523 118.7455 117.1925 122.5933 120.0694 120.2568 120.8838 118.8553 116.4982 123.4478 119.8949 120.456 120.2673 119.2766 113.1278 127.5758 119.2963 119.7728 120.0035 120.2237 117.6873 121.9938 120.3189 109.2892 110.4909 102.2498 111.335 111.3352 111.7709 110.8512 102.2096 109.0269 111.7424 111.2043 111.4467 110.0624 110.0347 101.7992 110.8715 111.8561 111.8699 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 21 21 14 14 14 22 22 16 16 16 23 23 18 18 18 41 41 10 10 10 29 29 29 8 8 8 29 29 29 8 8 11 11 24 24 7 7 7 11 11 11 24 24 24 7 7 8 8 24 24 6 6 12 12 6 6 9 9 7 7 7 13 13 13 7 7 10 10 6 6 17 17 6 6 15 15 7 7 30 30 9 9 31 31 1 1 12 12 11 11 32 32 11 11 33 33 3 3 15 15 17 17 34 34 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 4 4 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 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 14 14 21 21 21 16 16 22 22 22 18 18 23 23 23 20 20 8 8 8 8 8 8 10 10 10 10 10 10 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 9 9 9 9 12 12 12 12 10 10 10 10 10 10 13 13 13 13 15 15 15 15 17 17 17 17 14 14 14 14 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 12 16 35 36 37 13 14 38 39 40 15 20 42 43 44 18 19 6 25 26 6 25 26 9 27 28 9 27 28 9 12 9 12 9 12 5 25 26 5 25 26 5 25 26 15 17 15 17 15 17 10 13 10 13 14 30 14 30 5 27 28 5 27 28 16 31 16 31 18 32 18 32 19 33 19 33 1 16 1 16 2 14 2 14 2 13 2 13 3 20 3 20 20 34 20 34 4 19 4 19 4 18 4 18 -115.1085 69.2668 66.7241 -56.1152 -175.2136 -122.7091 61.8919 -53.46 -172.6684 69.2754 -179.3404 0.7868 60.9331 -61.5394 179.695 -179.2072 0.7722 -65.7751 175.6052 56.7347 173.186 54.5663 -64.3042 43.1868 -80.5771 162.8805 164.5586 40.7948 -75.7477 -24.7816 157.5663 -147.7872 34.5607 91.6786 -85.9735 54.8913 172.5983 -69.8176 -179.3292 -61.6222 55.9619 -60.5921 57.1149 174.699 52.5611 -128.6344 -71.6619 107.1427 170.966 -10.2294 2.8365 -177.2772 -179.5029 0.3834 177.8651 -2.3872 0.2073 179.955 -11.1882 114.8812 -128.9251 168.9229 -65.0078 51.1859 -0.3379 179.5812 179.5535 -0.5273 178.6799 -2.0608 -0.1228 179.1365 -178.7638 1.3286 0.0461 -179.8615 -176.5795 -0.8388 3.6674 179.4081 -175.8648 -0.2927 4.2141 179.7861 -8.3641 176.3859 176.1331 0.8831 -179.8106 0.0738 0.9152 -179.2005 0.0794 -179.8883 179.9879 0.0201 -0.1023 179.918 -179.9682 0.0522 179.8928 -0.1284 -0.1395 179.8392 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 239 264 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= 16290 NPrTT= 83167 LenC2= 14035 LenP2D= 44018. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 272 RedAO= T EigKep= 2.50D-04 NBF= 272 NBsUse= 272 1.00D-06 EigRej= -1.00D+00 NBFU= 272 Using GEDIIS/GDIIS optimizer. local minimum Step number 40 out of a maximum of 239 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00221 0.00227 0.00424 0.00590 0.00655 0.00843 0.00921 0.00989 0.01250 0.01487 0.01620 0.01732 0.01836 0.01913 0.01951 0.01984 0.02026 0.02060 0.02078 0.02085 0.02094 0.02095 0.02100 0.02123 0.02170 0.02279 0.02518 0.03173 0.03288 0.03907 0.04208 0.04846 0.05462 0.05869 0.06410 0.06677 0.08158 0.08759 0.09586 0.09941 0.10012 0.10055 0.10097 0.10663 0.10688 0.10779 0.11958 0.14187 0.15149 0.15646 0.15881 0.15940 0.15976 0.15998 0.16006 0.16012 0.16031 0.16057 0.16075 0.16174 0.16241 0.16462 0.16874 0.18723 0.18911 0.21477 0.22413 0.22884 0.23346 0.23671 0.24127 0.24369 0.24686 0.24846 0.24942 0.25548 0.25672 0.26992 0.27396 0.29011 0.30791 0.30984 0.31160 0.31742 0.31969 0.32238 0.32311 0.32478 0.32757 0.33023 0.33425 0.34190 0.34244 0.34267 0.34290 0.34322 0.34426 0.34433 0.34732 0.34761 0.34819 0.34948 0.35011 0.35122 0.35557 0.38389 0.38486 0.39091 0.40481 0.41651 0.41835 0.42166 0.43200 0.43739 0.44382 0.45221 0.45635 0.45894 0.46132 0.46762 0.47737 0.47911 0.49508 0.49616 0.50512 0.66458 RFO step: Lambda=-1.00752793D-08. 1 2 0.00021158 0.00000003 0.00000002 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 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 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 2.68037 2.79905 2.67731 2.79972 2.65587 2.79299 2.66946 1.86948 2.78434 2.78549 1.93946 2.90335 2.93997 2.88605 2.09605 2.68896 2.67877 2.08683 2.11453 2.88251 2.67386 2.12012 2.09063 2.67801 2.67438 2.65802 2.06920 2.65880 2.07173 2.69188 2.66713 2.06965 2.66795 2.07128 2.69476 2.66833 2.07637 2.09163 2.08871 2.08050 2.08795 2.08037 2.09165 2.09288 2.08171 2.08005 1.99183 1.99734 2.06102 1.92128 1.96574 1.97880 1.96988 1.92174 2.00776 1.86913 1.92224 1.85162 1.88367 2.11376 2.09640 2.07235 1.90487 1.90740 1.97071 1.90698 1.89698 1.87601 2.12069 2.08512 2.07734 1.93628 1.96470 1.90126 1.88373 1.91229 1.86382 2.11755 2.10170 2.06260 2.12356 2.10115 2.05823 2.12129 2.10746 2.05426 2.06965 2.12834 2.08446 2.12959 2.10884 2.04463 2.06804 2.13557 2.07886 2.10611 2.09001 2.08706 2.03376 2.17049 2.07633 2.10583 2.09346 2.08383 2.06597 2.13160 2.08551 1.92118 1.93651 1.84170 1.91582 1.91800 1.92956 1.93680 1.84058 1.92075 1.93090 1.91591 1.91778 1.92584 1.94052 1.82737 1.91810 1.91651 1.93385 -2.03698 1.14570 1.11878 -1.00537 -3.09581 -2.06317 1.11943 -0.99966 -3.09119 1.12451 -2.35668 0.86351 1.02597 -1.10697 3.08709 3.08944 -0.03644 -1.20590 2.99279 0.90584 2.81353 0.72904 -1.35791 0.89059 -1.22238 2.99700 -3.12427 1.04594 -1.01787 -0.33241 2.84899 -2.51656 0.66484 1.67332 -1.42846 0.86546 2.95021 -1.29066 3.09767 -1.10076 0.94156 -1.15135 0.93341 2.97572 0.90572 -2.29230 -1.27818 1.80700 2.99097 -0.20704 0.06034 -3.09019 -3.12053 0.01213 3.10551 -0.06067 0.00279 3.11980 -0.31258 1.84746 -2.41245 2.83791 -1.28524 0.73804 0.00116 3.12209 3.13404 -0.02822 3.07709 -0.08178 -0.00931 3.11500 -3.07356 0.06643 0.01336 -3.12983 -3.13225 -0.03069 0.03334 3.13490 -3.13094 -0.02899 0.03072 3.13267 -0.03944 -3.13978 -3.13961 0.04324 -3.07960 -0.01216 0.07867 -3.13707 0.00423 3.13300 -3.13576 -0.00700 -0.03544 3.09086 -3.09665 0.02964 3.09969 -0.02601 -0.02915 3.12834 -0.00002 -0.00001 0.00003 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 0.00000 0.00003 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 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0.00009 0.00007 -0.00038 -0.00036 -0.00038 -0.00012 -0.00012 0.00022 0.00021 0.00022 0.00020 0.00013 0.00005 0.00007 0.00006 0.00014 0.00017 0.00016 -0.00005 -0.00005 -0.00002 -0.00015 -0.00015 -0.00012 -0.00004 -0.00006 -0.00006 -0.00007 -0.00004 -0.00005 0.00002 0.00002 0.00001 0.00002 0.00002 0.00001 0.00001 0.00001 0.00000 0.00005 0.00019 0.00004 0.00018 0.00004 0.00018 0.00002 0.00003 0.00004 0.00005 0.00001 0.00001 -0.00001 0.00000 0.00002 0.00000 -0.00002 0.00001 -0.00001 -0.00003 -0.00005 -0.00002 -0.00004 -0.00001 0.00009 0.00012 -0.00004 -0.00001 -0.00007 -0.00013 0.00007 0.00001 0.00004 -0.00003 0.00003 -0.00004 -0.00001 0.00001 -0.00004 -0.00002 -0.00002 -0.00004 0.00006 0.00003 0.00001 0.00002 -0.00002 -0.00001 -0.00006 -0.00004 0.00000 0.00002 -0.00007 0.00000 -0.00007 -0.00001 0.00010 0.00003 0.00008 0.00001 -0.00007 -0.00003 0.00005 0.00000 -0.00004 -0.00001 -0.00001 -0.00001 0.00001 0.00004 0.00000 0.00001 -0.00002 0.00004 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00004 -0.00001 0.00001 -0.00001 -0.00001 0.00003 0.00000 0.00001 0.00000 0.00002 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00009 0.00001 0.00017 0.00004 -0.00002 -0.00008 -0.00008 0.00001 0.00003 -0.00001 -0.00003 0.00001 -0.00001 -0.00002 0.00002 0.00000 0.00001 0.00001 0.00001 -0.00003 -0.00001 0.00001 -0.00001 0.00000 0.00001 0.00006 -0.00002 -0.00002 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00002 -0.00001 0.00002 0.00000 -0.00002 0.00002 -0.00001 0.00000 0.00000 -0.00002 0.00002 -0.00001 -0.00001 0.00002 -0.00001 0.00004 -0.00003 0.00001 0.00001 -0.00002 0.00000 -0.00001 0.00001 0.00004 0.00000 0.00003 -0.00004 -0.00001 -0.00001 0.00001 0.00002 0.00003 -0.00002 -0.00003 -0.00001 -0.00001 0.00002 0.00002 0.00001 0.00000 -0.00004 -0.00001 0.00003 -0.00017 -0.00015 -0.00015 0.00010 0.00005 -0.00031 -0.00031 -0.00032 -0.00022 -0.00020 0.00032 0.00030 0.00033 0.00019 0.00012 0.00005 0.00008 0.00005 0.00025 0.00027 0.00025 -0.00010 -0.00013 -0.00010 -0.00030 -0.00033 -0.00029 -0.00011 -0.00006 -0.00010 -0.00005 -0.00010 -0.00005 0.00009 0.00009 0.00008 0.00011 0.00011 0.00010 0.00009 0.00009 0.00008 0.00002 0.00010 0.00001 0.00009 0.00002 0.00010 0.00005 0.00004 -0.00001 -0.00001 -0.00003 -0.00001 0.00003 0.00004 0.00005 0.00006 0.00005 0.00005 0.00006 0.00005 -0.00002 0.00000 -0.00002 0.00000 0.00005 0.00009 -0.00003 0.00001 -0.00005 -0.00007 0.00003 0.00001 0.00003 -0.00001 0.00001 -0.00003 -0.00002 0.00003 -0.00004 0.00001 -0.00001 -0.00006 0.00004 -0.00002 0.00005 0.00003 0.00000 -0.00001 -0.00003 -0.00001 0.00000 0.00001 -0.00011 -0.00004 -0.00009 -0.00002 0.00009 0.00002 0.00007 0.00001 2.68030 2.79902 2.67736 2.79972 2.65583 2.79298 2.66945 1.86947 2.78435 2.78552 1.93946 2.90336 2.93994 2.88608 2.09606 2.68897 2.67876 2.08683 2.11453 2.88250 2.67386 2.12013 2.09063 2.67801 2.67437 2.65806 2.06919 2.65881 2.07172 2.69187 2.66716 2.06964 2.66796 2.07128 2.69478 2.66834 2.07636 2.09164 2.08871 2.08049 2.08795 2.08037 2.09164 2.09287 2.08170 2.08005 1.99192 1.99735 2.06119 1.92133 1.96572 1.97872 1.96980 1.92175 2.00779 1.86912 1.92221 1.85163 1.88366 2.11374 2.09643 2.07235 1.90487 1.90740 1.97071 1.90696 1.89698 1.87602 2.12068 2.08512 2.07735 1.93634 1.96467 1.90124 1.88373 1.91227 1.86382 2.11754 2.10172 2.06260 2.12357 2.10115 2.05821 2.12128 2.10748 2.05425 2.06968 2.12834 2.08444 2.12961 2.10883 2.04463 2.06804 2.13554 2.07888 2.10610 2.09000 2.08708 2.03375 2.17053 2.07630 2.10584 2.09347 2.08381 2.06597 2.13159 2.08552 1.92121 1.93650 1.84173 1.91578 1.91799 1.92955 1.93681 1.84060 1.92078 1.93088 1.91588 1.91777 1.92583 1.94054 1.82738 1.91811 1.91651 1.93382 -2.03699 1.14573 1.11861 -1.00552 -3.09596 -2.06307 1.11948 -0.99998 -3.09150 1.12419 -2.35690 0.86331 1.02629 -1.10666 3.08742 3.08963 -0.03631 -1.20585 2.99287 0.90590 2.81378 0.72931 -1.35766 0.89049 -1.22252 2.99690 -3.12457 1.04561 -1.01816 -0.33253 2.84893 -2.51667 0.66479 1.67322 -1.42851 0.86555 2.95030 -1.29058 3.09779 -1.10065 0.94166 -1.15126 0.93349 2.97580 0.90573 -2.29220 -1.27817 1.80709 2.99099 -0.20694 0.06038 -3.09015 -3.12054 0.01211 3.10548 -0.06068 0.00281 3.11984 -0.31253 1.84752 -2.41240 2.83797 -1.28517 0.73809 0.00114 3.12209 3.13402 -0.02822 3.07714 -0.08169 -0.00934 3.11501 -3.07361 0.06636 0.01339 -3.12983 -3.13223 -0.03070 0.03335 3.13487 -3.13096 -0.02896 0.03068 3.13268 -0.03944 -3.13984 -3.13957 0.04322 -3.07956 -0.01213 0.07867 -3.13708 0.00420 3.13298 -3.13576 -0.00698 -0.03555 3.09082 -3.09674 0.02962 3.09978 -0.02599 -0.02907 3.12835 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000033 0.000005 0.001178 0.000212 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.581516e-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 R46 1 1 2 2 3 3 4 4 5 5 5 6 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 15 15 17 17 18 19 19 21 21 21 22 22 22 23 23 23 14 21 16 22 18 23 20 41 8 10 29 7 8 11 24 9 12 25 26 10 13 27 28 15 17 14 30 16 31 16 18 32 19 33 20 20 34 35 36 37 38 39 40 42 43 44 1.4184 1.4812 1.4168 1.4815 1.4054 1.478 1.4126 0.9893 1.4734 1.474 1.0263 1.5364 1.5558 1.5272 1.1092 1.4229 1.4175 1.1043 1.119 1.5254 1.4149 1.1219 1.1063 1.4171 1.4152 1.4066 1.095 1.407 1.0963 1.4245 1.4114 1.0952 1.4118 1.0961 1.426 1.412 1.0988 1.1068 1.1053 1.101 1.1049 1.1009 1.1069 1.1075 1.1016 1.1007 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 14 16 18 20 8 8 10 7 7 7 8 8 11 6 6 9 5 5 5 6 6 25 7 7 10 5 5 5 9 9 27 6 6 15 7 7 14 9 9 16 1 1 12 11 11 18 2 2 13 11 11 19 3 3 15 17 17 20 4 4 18 1 1 1 35 35 36 2 2 2 38 38 39 3 3 3 42 42 43 1 2 3 4 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 21 22 23 41 10 29 29 8 11 24 11 24 24 9 12 12 6 25 26 25 26 26 10 13 13 9 27 28 27 28 28 15 17 17 14 30 30 16 31 31 12 16 16 18 32 32 13 14 14 19 33 33 15 20 20 20 34 34 18 19 19 35 36 37 36 37 37 38 39 40 39 40 40 42 43 44 43 44 44 114.1237 114.4393 118.0876 110.0814 112.6285 113.377 112.8659 110.1078 115.0364 107.0933 110.1362 106.0899 107.9265 121.1094 120.1152 118.7371 109.1409 109.2858 112.9131 109.2621 108.689 107.4873 121.5065 119.4685 119.023 110.9408 112.5688 108.9344 107.9297 109.5659 106.7892 121.3269 120.4187 118.1782 121.6708 120.3871 117.9277 121.5412 120.7485 117.7002 118.5825 121.9451 119.431 122.0165 120.8278 117.1487 118.4902 122.3589 119.1099 120.6712 119.7489 119.5798 116.5257 124.3602 118.9647 120.6551 119.9464 119.3945 118.3711 122.1317 119.4912 110.0754 110.9538 105.5218 109.7683 109.8935 110.5555 110.9704 105.4574 110.0508 110.6326 109.7737 109.8808 110.3427 111.1836 104.7004 109.899 109.8082 110.8016 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 21 21 14 14 14 22 22 16 16 16 23 23 18 18 18 41 41 10 10 10 29 29 29 8 8 8 29 29 29 8 8 11 11 24 24 7 7 7 11 11 11 24 24 24 7 7 8 8 24 24 6 6 12 12 6 6 9 9 7 7 7 13 13 13 7 7 10 10 6 6 17 17 6 6 15 15 7 7 30 30 9 9 31 31 1 1 12 12 11 11 32 32 11 11 33 33 3 3 15 15 17 17 34 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 4 4 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 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 14 14 21 21 21 16 16 22 22 22 18 18 23 23 23 20 20 8 8 8 8 8 8 10 10 10 10 10 10 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 9 9 9 9 12 12 12 12 10 10 10 10 10 10 13 13 13 13 15 15 15 15 17 17 17 17 14 14 14 14 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 12 16 35 36 37 13 14 38 39 40 15 20 42 43 44 18 19 6 25 26 6 25 26 9 27 28 9 27 28 9 12 9 12 9 12 5 25 26 5 25 26 5 25 26 15 17 15 17 15 17 10 13 10 13 14 30 14 30 5 27 28 5 27 28 16 31 16 31 18 32 18 32 19 33 19 33 1 16 1 16 2 14 2 14 2 13 2 13 3 20 3 20 20 34 20 34 4 19 4 19 4 18 4 -116.7103 65.6435 64.1012 -57.6037 -177.3766 -118.2109 64.1386 -57.2764 -177.1122 64.4297 -135.0277 49.4753 58.7836 -63.4245 176.8773 177.0116 -2.0876 -69.0928 171.4742 51.9009 161.2036 41.7707 -77.8026 51.0272 -70.0375 171.7153 -179.0076 59.9277 -58.3195 -19.0458 163.2353 -144.1885 38.0926 95.8744 -81.8445 49.587 169.0346 -73.9493 177.4835 -63.0688 53.9473 -65.9674 53.4802 170.4963 51.8937 -131.3388 -73.2342 103.5333 171.3701 -11.8625 3.4571 -177.055 -178.7932 0.6947 177.9324 -3.4759 0.1597 178.7514 -17.9096 105.8515 -138.2233 162.6003 -73.6387 42.2866 0.0666 178.8823 179.5674 -1.617 176.3044 -4.6859 -0.5333 178.4765 -176.1022 3.8062 0.7653 -179.3263 -179.465 -1.7583 1.91 179.6167 -179.3896 -1.6611 1.76 179.4885 -2.2595 -179.8961 -179.8863 2.4772 -176.4483 -0.6964 4.5073 -179.7408 0.2425 179.5076 -179.666 -0.4009 -2.0304 177.0933 -177.4252 1.6985 177.5991 -1.4903 -1.67 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 294.1968999999998 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1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 N 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 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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 1.13228 0.85944 0.93797 0.91101 1.36188 0.97006 1.11727 0.47725 0.16323 0.36449 1.13228 0.85944 0.93878 0.90631 1.05852 1.27414 1.11693 0.24339 0.40208 0.35494 1.13228 0.85939 0.94340 0.89284 1.16200 1.16926 1.12019 0.32692 0.32709 0.32670 1.13225 0.85948 0.94271 0.89733 1.07927 1.24010 1.15689 0.31530 0.46863 0.37082 1.15946 0.83087 0.84107 0.78415 0.89456 0.93286 1.18843 0.08266 0.15713 0.42228 1.17424 0.81390 0.71886 0.65643 0.86925 0.87950 0.90689 0.05665 0.05192 0.21142 1.17432 0.81378 0.74892 0.41818 0.89290 0.90772 0.81098 -0.04472 -0.11212 0.09080 1.17436 0.81415 0.72986 0.66438 0.84266 0.86467 0.91315 0.12772 0.15655 0.22365 1.17432 0.81381 0.75095 0.41259 0.90905 0.89190 0.81171 -0.10348 -0.05881 0.12601 1.17429 0.81416 0.72759 0.67640 0.84908 0.88340 0.91493 0.14457 0.16248 0.19976 1.17434 0.81390 0.75141 0.39112 0.87594 0.83433 0.89900 -0.04975 0.01955 -0.29991 1.17431 0.81387 0.74764 0.57077 0.91028 0.92171 0.81375 0.15533 0.18143 0.25149 1.17430 0.81393 0.74506 0.57717 0.92256 0.90307 0.82339 0.15197 0.16135 0.24912 1.17434 0.81387 0.76297 0.33355 0.93411 0.78188 0.85524 -0.01459 -0.00243 0.16158 1.17428 0.81391 0.74566 0.55335 0.88663 0.84275 0.92210 0.16259 0.18188 0.22635 1.17435 0.81385 0.76458 0.33329 0.79631 0.91045 0.86159 0.03152 -0.01968 0.15891 1.17432 0.81404 0.74727 0.54884 0.88095 0.84647 0.91297 0.15728 0.22199 0.19962 1.17435 0.81390 0.77016 0.30565 0.92741 0.84321 0.80207 0.04204 0.10977 0.01162 1.17429 0.81407 0.74292 0.53085 0.90503 0.85658 0.89330 0.18846 0.17816 0.09676 1.17434 0.81396 0.76661 0.30863 0.79095 0.83925 0.94268 0.04587 0.12523 0.03949 1.17434 0.81426 0.74876 0.68779 0.97847 0.82831 0.84169 0.20316 0.12935 0.13289 1.17433 0.81427 0.74854 0.68941 0.88483 0.93868 0.82672 0.14966 0.18996 0.12505 1.17434 0.81419 0.75410 0.67425 0.80630 0.86371 0.97519 0.10658 0.14905 0.18636 0.50508 0.24081 0.51444 0.25356 0.51580 0.27021 0.51294 0.28339 0.51059 0.25490 0.51155 0.22739 0.51227 0.20213 0.51520 0.22584 0.51292 0.20482 0.51942 0.23731 0.51799 0.26259 0.51789 0.25421 0.51485 0.23539 0.51739 0.25637 0.51268 0.22841 0.51739 0.25755 0.51851 0.25865 0.48148 0.15695 0.51582 0.25171 0.51562 0.25060 0.51806 0.26207 2.0794 -0.5633 0.4508 2.2010 -112.4262 -123.9260 -133.6932 -2.3206 7.4781 -4.3575 10.9223 -0.5775 -10.3447 -2.3206 7.4781 -4.3575 97.8610 -5.4625 16.7977 1.1208 -50.0478 66.2760 49.5742 6.9836 -35.3670 6.2239 -6528.0632 -2767.4120 -854.2129 28.5387 101.8703 182.5885 -126.4387 38.0341 -11.7264 -1588.5860 -1290.1973 -624.5378 -61.5565 26.4513 -11.6425 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 294.1968999999998 AuxInfo=1/0/N:23,22,21,17,19,15,13,12,10,8,11,9,7,6,20,18,16,14,5,4,3,2,1/CRV:4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,15.3,16.3,17.3,18.3/rA:44OOOONCC3CC3CC3C3C3C3C3C3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s5s6;s7;s5s9;s6;s7;s9;s1s12;s11;s2s13s14;s11;s3s15;s17;s4s18s19;s1;s2;s3;s6;s8;s8;s10;s10;s5;s12;s13;s15;s17;s19;s21;s21;s21;s22;s22;s22;s4;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.933640 0.000000 6.553031 8.110624 0.000000 7.853669 9.950030 2.891967 0.000000 6.478952 6.163901 6.715975 7.872557 0.000000 4.986127 5.802654 4.957125 5.789756 2.468720 0.000000 3.744014 4.267231 5.342019 6.634949 2.829320 1.536384 0.000000 6.244689 6.517426 5.391574 6.423383 1.473411 1.555764 2.534631 0.000000 4.258363 3.738567 6.286333 7.878324 2.471155 2.577655 1.422936 2.851278 0.000000 5.783382 4.957667 6.866397 8.441973 1.474016 3.014960 2.572942 2.452532 1.525357 0.000000 5.227859 6.616215 3.718519 4.265423 3.815607 1.527231 2.584354 2.527594 3.827168 4.370192 0.000000 2.428830 3.758266 5.284832 6.509542 4.238587 2.560346 1.417543 3.848452 2.444127 3.858470 3.020338 0.000000 3.754346 2.426630 7.047487 8.829537 3.765225 3.868987 2.451074 4.258631 1.414946 2.534370 4.981151 2.800616 0.000000 1.418391 2.489323 6.163663 7.628706 5.108837 3.865990 2.466081 4.984852 2.840630 4.365340 4.395371 1.406563 2.441063 0.000000 5.258312 6.653614 2.395618 3.724100 4.542215 2.567346 3.133050 3.227487 4.222950 4.820228 1.417144 3.358986 5.207485 4.533911 0.000000 2.485775 1.416772 7.020820 8.745418 4.917140 4.386516 2.851236 5.156065 2.462616 3.843630 5.230519 2.444716 1.406978 1.424484 5.361119 0.000000 6.022053 7.729789 4.235570 3.757925 4.753135 2.554202 3.747851 3.490283 5.044763 5.538082 1.415220 3.997403 6.196898 5.382661 2.430075 6.356584 0.000000 6.071082 7.771174 1.405427 2.437908 5.871960 3.874053 4.494778 4.484635 5.617483 6.212518 2.474086 4.500189 6.532528 5.596884 1.411386 6.549993 2.834175 0.000000 6.746624 8.716115 3.768058 2.472056 6.030384 3.854934 4.939867 4.668949 6.258547 6.783287 2.456525 4.993382 7.348323 6.306439 2.804865 7.390758 1.411818 2.451488 0.000000 6.788324 8.752833 2.504192 1.412618 6.509907 4.379090 5.255443 5.080165 6.510574 7.078454 2.853686 5.219669 7.507284 6.417324 2.444348 7.492128 2.453546 1.426007 1.412019 0.000000 1.481195 3.130538 6.557424 8.185310 7.384087 5.961913 4.698772 7.092339 5.066557 6.542550 6.045201 3.482274 4.398256 2.433741 5.738827 3.107265 6.934859 6.387957 7.487931 7.261511 0.000000 3.112128 1.481550 9.139785 10.707214 7.030742 6.565454 5.083514 7.437724 4.708195 5.946297 7.392579 4.401807 3.495719 3.106019 7.599571 2.437023 8.338929 8.684017 9.342205 9.516527 3.523372 0.000000 6.892554 8.740462 1.477989 2.918079 8.076307 6.154545 6.409391 6.768364 7.414106 8.154253 4.850206 6.073192 8.023839 6.797006 3.617521 7.775513 5.164724 2.472987 4.443584 3.088167 6.709055 9.678967 0.000000 5.293761 6.189563 5.829003 6.233049 2.714794 1.109182 2.143023 2.146436 3.101635 3.474011 2.146048 2.980329 4.327135 4.252878 3.448707 4.801263 2.601042 4.619021 4.010530 4.840606 6.455412 6.738505 6.953000 0.000000 7.134933 7.573934 5.673865 6.286355 2.113107 2.184813 3.480710 1.104303 3.909331 3.395266 2.787607 4.707885 5.323453 5.936558 3.623870 6.198345 3.345317 4.673662 4.447830 5.010700 8.034106 8.430719 7.059584 2.421125 0.000000 6.387880 6.593327 4.744514 6.169239 2.169517 2.188177 2.885342 1.118963 3.099940 2.704523 2.710075 4.099017 4.396908 5.149547 2.884374 5.282969 3.850185 4.078356 4.805961 4.904087 7.021797 7.677898 6.176213 3.069790 1.792816 0.000000 6.205916 5.212746 6.666276 8.533543 2.168132 3.618619 3.186454 2.840623 2.153852 1.121918 4.748120 4.393804 2.909558 4.813065 4.896805 4.210841 6.019885 6.222210 7.141106 7.236422 6.740145 6.386766 7.977333 4.294389 3.776736 2.640149 0.000000 6.239362 5.000493 7.960431 9.501954 2.110674 3.920233 3.378084 3.394224 2.163542 1.106312 5.359402 4.545139 2.716174 4.843178 5.893233 4.084962 6.451522 7.293812 7.750533 8.124479 7.037396 5.858716 9.228467 4.164433 4.211884 3.755443 1.788761 0.000000 7.488312 7.004338 7.349235 8.469584 1.026318 3.374155 3.849768 2.103396 3.385919 2.098031 4.601971 5.262154 4.583916 6.106447 5.288771 5.822433 5.443138 6.550067 6.668828 7.152305 8.363237 7.886323 8.761323 3.548172 2.356033 2.627672 2.508264 2.435333 0.000000 2.613088 4.634207 4.866006 5.726814 4.891004 2.769940 2.186023 4.238897 3.443447 4.753648 2.715332 1.094974 3.895274 2.149434 3.068435 3.425887 3.411885 3.973806 4.240557 4.495954 3.654566 5.127770 5.505935 3.079412 4.926149 4.498326 5.283865 5.501446 5.901212 0.000000 4.629624 2.607120 7.916028 9.818407 4.143350 4.762123 3.451751 4.892129 2.188643 2.743778 5.948847 3.896603 1.096311 3.423016 6.145308 2.148376 7.185012 7.478146 8.357284 8.499379 5.126720 3.670381 8.921731 5.193729 5.941376 4.984452 2.945284 2.564401 4.787797 4.991087 0.000000 4.991865 6.022799 2.555995 4.580929 4.372549 2.797708 2.925898 3.241561 3.742678 4.351788 2.190554 3.210434 4.594113 4.169610 1.095209 4.799460 3.433843 2.145265 3.899507 3.421541 5.296482 7.115110 3.803377 3.843840 3.886091 2.651455 4.242272 5.431979 5.120700 3.220562 5.456427 0.000000 6.352731 7.993226 5.331481 4.641433 4.734625 2.757677 4.004374 3.675526 5.243182 5.660220 2.177986 4.320887 6.415453 5.693197 3.428017 6.619906 1.096074 3.930197 2.173101 3.441482 7.431772 8.464145 6.237426 2.342211 3.385464 4.303936 6.302932 6.449440 5.379111 3.788569 7.375384 4.350071 0.000000 7.537850 9.627499 4.669295 2.713361 6.841844 4.731527 5.865750 5.526356 7.198391 7.695483 3.449668 5.880210 8.295791 7.183092 3.903631 8.310182 2.179281 3.445803 1.098767 2.173495 8.332884 10.156057 5.162156 4.691867 5.164183 5.759199 8.115537 8.618675 7.430763 5.063096 9.311404 4.998232 2.501382 0.000000 2.131795 3.795250 5.591585 7.377527 7.254519 5.711979 4.590001 6.785074 5.073372 6.484400 5.584890 3.452589 4.612825 2.745648 5.053430 3.522615 6.509741 5.571694 6.927876 6.527246 1.106845 4.462427 5.689399 6.345279 7.700013 6.574235 6.559668 7.123345 8.216051 3.509513 5.395124 4.569251 7.146898 7.816433 0.000000 2.141628 2.440897 7.180271 9.036506 7.461896 6.375927 4.980081 7.346507 5.036028 6.439161 6.646942 3.957050 4.113499 2.709650 6.326155 2.837678 7.661773 7.085391 8.307948 8.068762 1.105299 2.981825 7.424042 6.909014 8.358693 7.233305 6.552976 6.820423 8.394614 4.381414 4.638723 5.733903 8.144578 9.202595 1.809513 0.000000 2.068530 3.925299 7.183670 8.598902 8.372677 6.825812 5.630921 8.046285 6.082705 7.579996 6.807526 4.322589 5.409706 3.330634 6.519253 4.064640 7.554431 7.027181 8.003739 7.780982 1.100952 3.977227 7.141825 7.235941 8.945293 8.014788 7.821663 8.050758 9.367188 4.307728 6.120647 6.178735 8.021333 8.764356 1.807348 1.813370 0.000000 2.414989 2.141839 8.828871 10.198072 7.300015 6.466039 5.053587 7.530030 4.989230 6.363155 7.127530 4.117073 3.969597 2.835511 7.348301 2.712265 7.951316 8.330272 8.870257 9.061341 2.966092 1.104896 9.251567 6.587235 8.474811 7.803573 6.866902 6.408280 8.223258 4.639737 4.395924 6.978864 8.073764 9.625819 3.999636 2.727171 3.224269 0.000000 3.913469 2.067930 9.920679 11.604206 7.975017 7.601742 6.096927 8.419122 5.635587 6.804844 8.404610 5.413293 4.330497 4.065298 8.520130 3.331381 9.382101 9.567517 10.348352 10.451858 3.985805 1.100883 10.393026 7.817147 9.436925 8.594262 7.146245 6.658437 8.794300 6.123243 4.316175 7.968763 9.541903 11.176184 4.948797 3.247782 4.295512 1.813827 0.000000 3.768485 2.131799 9.639443 11.079029 6.731411 6.505242 5.095750 7.307734 4.611822 5.706407 7.500158 4.615577 3.477931 3.517678 7.889175 2.752424 8.394919 9.059747 9.505856 9.823440 4.457080 1.106851 10.286784 6.534203 8.253053 7.679685 6.278608 5.452989 7.533482 5.392482 3.542874 7.466307 8.388904 10.280051 5.356402 4.013530 4.933210 1.809248 1.807155 0.000000 8.415138 10.604752 3.868755 0.989284 8.311175 6.213801 7.167806 6.871147 8.457978 8.996075 4.711876 7.049218 9.455972 8.216434 4.424586 9.374015 3.920619 3.266580 2.517749 1.983390 8.850207 11.279546 3.862690 6.503875 6.612379 6.739787 9.170730 10.027684 8.881892 6.207564 10.463455 5.370670 4.629468 2.333097 8.106010 9.742693 9.214462 10.727818 12.208097 11.597594 0.000000 6.086715 8.133775 2.132858 3.358662 8.145880 6.083415 6.146843 6.911705 7.195775 8.118212 4.841541 5.579662 7.671159 6.175691 3.705449 7.243975 5.172586 2.766805 4.552862 3.359448 5.851959 8.971906 1.107503 6.830776 7.304244 6.420742 8.026608 9.151253 8.924084 4.944000 8.606802 3.868039 6.197792 5.269453 4.854488 6.639621 6.184544 8.465755 9.660476 9.628326 4.222031 0.000000 7.662453 9.665316 2.138840 2.246621 8.649605 6.650511 7.089362 7.269335 8.183888 8.879679 5.226564 6.774118 8.884961 7.599147 4.152462 8.650579 5.255452 2.809469 4.275537 2.907084 7.576968 10.540125 1.101591 7.346890 7.412172 6.748490 8.761204 9.963854 9.301763 6.097194 9.816248 4.559982 6.285685 4.793741 6.597839 8.359523 7.941961 10.056918 11.291543 11.109442 3.096768 1.808469 0.000000 7.437138 9.068718 2.054677 3.863711 8.620608 6.886833 7.039389 7.364490 7.903535 8.591106 5.682433 6.739487 8.428106 7.338697 4.349743 8.198286 6.133244 3.340489 5.471725 4.098035 7.065599 10.092612 1.100715 7.767124 7.706794 6.645624 8.280709 9.659550 9.262908 6.288878 9.248105 4.306957 7.220664 6.208874 5.988837 7.675823 7.509986 9.729694 10.729392 10.760531 4.800982 1.806748 1.812815 0.000000 0.3636664 0.1526629 0.1218442 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= 266 267 267 267 267 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 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 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= 16290 NPrTT= 83167 LenC2= 13964 LenP2D= 43662. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 272 RedAO= T EigKep= 2.69D-04 NBF= 272 NBsUse= 272 1.00D-06 EigRej= -1.00D+00 NBFU= 272 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= 264 264 265 265 265 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 0 1 -1052.39531159824 -1052.48210741109 -0.086795812850 -1052.66105770458 -0.178950293487 -1052.69413557262 -0.033077868042 -1052.72507338837 -0.030937815750 -1052.72709466049 -0.002021272123 -1052.72714472857 -0.000050068081 -1052.72716921039 -0.000024481812 -1052.72717069173 -0.000001481341 -1052.72707629857 0.000094393155 -1052.72707689639 -0.000000597821 -1052.72707680468 0.000000091713 -1052.72707694400 -0.000000139318 -1052.72707694953 -0.000000005534 -1052.72707694970 -0.000000000163 -1052.72707694978 -0.000000000082 -1052.72707694978 0.000000000003 -1052.72707695 17 1.048681943755e+03 -6.324667681956e+03 2.290111220095e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=699679682. IVT= 243854 IEndB= 243854 NGot= 939524096 MDV= 250017487 LenX= 250017487 LenY= 249943062 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= 37128 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 8.18098665e-01 -2.21615370e-01 1.77347719e-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 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 -0.002425552 -0.003878355 0.010074560 -0.002890111 -0.004412244 -0.009465887 -0.001601976 -0.002278277 -0.006587092 0.023873262 -0.011714432 0.009065558 0.002252358 -0.008458301 -0.007957057 0.005189353 0.007954880 0.007305924 0.003267641 0.004744124 -0.001619188 -0.003763380 0.009309997 0.009446108 -0.001924342 0.006994474 -0.001735679 -0.002228681 0.016038897 0.006336162 -0.009306202 0.005393605 0.005268887 -0.001698977 0.000458239 0.001667433 0.004844850 -0.001276503 0.000705143 0.005056820 0.007212987 0.006348767 0.000871699 0.003830773 0.004939446 0.003166429 0.007379603 -0.007055281 0.000627580 0.003187275 0.006524829 -0.011139166 0.009229690 0.002339967 -0.001530698 0.002105475 0.000795161 -0.006478189 0.002474860 -0.004181593 -0.002676476 -0.007636374 0.006786017 -0.006812279 -0.006302016 -0.005487993 -0.001601608 -0.006151547 -0.014461701 0.005287708 -0.001421817 -0.010064069 -0.003123497 -0.002480950 -0.000617733 -0.000636183 -0.002830813 -0.002893705 0.000722886 -0.000148862 -0.001994583 0.002670075 -0.004380736 -0.004269134 -0.000323483 0.005696451 0.001811702 0.000284371 -0.001219891 0.000609479 -0.003475478 0.001064987 -0.002056244 -0.000268089 -0.001596828 -0.002130448 -0.002210302 0.002864373 0.003169904 0.005282374 -0.001071959 0.005109017 0.005452587 -0.002914171 -0.006432827 -0.003697935 -0.001616446 -0.005903019 -0.000843214 -0.008347294 -0.005232452 -0.000149819 -0.003035244 0.004921566 -0.007109878 -0.003797953 0.005543064 -0.004757943 0.003790840 0.007023746 -0.000317133 0.000155063 -0.000216639 0.003606280 -0.004920603 -0.000249279 0.005346041 -0.002527282 -0.001659873 0.005188277 -0.005467697 -0.003520968 0.023873262 0.005610671 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1052.74367915085 -1052.74369888178 -0.000019730929 -1052.74369874755 0.000000134232 -1052.74369898010 -0.000000232551 -1052.74369899648 -0.000000016385 -1052.74369899884 -0.000000002360 -1052.74369899895 -0.000000000112 -1052.74369899896 -0.000000000007 -1052.74369900 8 1.047652321057e+03 -6.271225238682e+03 2.264008035183e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=699679682. IVT= 243854 IEndB= 243854 NGot= 939524096 MDV= 250017487 LenX= 250017487 LenY= 249943062 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= 37128 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 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 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 V V V V V -18.797760 -18.774622 -18.774105 -18.772600 -13.979606 -9.967992 -9.957811 -9.950920 -9.949318 -9.934051 -9.933636 -9.930755 -9.922873 -9.917417 -9.910471 -9.907906 -9.907762 -9.906573 -9.906242 -9.902605 -9.897484 -9.897107 -9.893843 -0.975726 -0.954986 -0.945190 -0.935244 -0.830712 -0.778089 -0.767493 -0.717652 -0.686536 -0.681433 -0.671797 -0.652053 -0.623186 -0.618875 -0.617480 -0.581943 -0.567278 -0.551836 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AuxInfo=1/0/N:23,22,21,17,19,15,13,12,10,8,11,9,7,6,20,18,16,14,5,4,3,2,1/CRV:4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,15.3,16.3,17.3,18.3/rA:44OOOONCC3CC3CC3C3C3C3C3C3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s5s6;s7;s5s9;s6;s7;s9;s1s12;s11;s2s13s14;s11;s3s15;s17;s4s18s19;s1;s2;s3;s6;s8;s8;s10;s10;s5;s12;s13;s15;s17;s19;s21;s21;s21;s22;s22;s22;s4;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2026 CBGUSER 000280279 EM64L-G09RevD.01 25-Mar-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 126 C1[X(C18H21NO4)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 294.1968999999998 0 1 AuxInfo=1/0/N:23,22,21,17,19,15,13,12,10,8,11,9,7,6,20,18,16,14,5,4,3,2,1/CRV:4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,15.3,16.3,17.3,18.3/rA:44OOOONCC3CC3CC3C3C3C3C3C3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s5s6;s7;s5s9;s6;s7;s9;s1s12;s11;s2s13s14;s11;s3s15;s17;s4s18s19;s1;s2;s3;s6;s8;s8;s10;s10;s5;s12;s13;s15;s17;s19;s21;s21;s21;s22;s22;s22;s4;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-13462.inp" -scrdir="/scratch/" chk=000280279-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 000280279 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 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 15.9949146 15.9949146 15.9949146 15.9949146 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 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 0 0 0 0 2 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000273 0.000050 0.066151 0.021226 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -7.406927e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1906.8211792725 272 636 272 84 84 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 0 294.1968999999998 AuxInfo=1/0/N:23,22,21,17,19,15,13,12,10,8,11,9,7,6,20,18,16,14,5,4,3,2,1/CRV:4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,15.3,16.3,17.3,18.3/rA:44OOOONCC3CC3CC3C3C3C3C3C3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s5s6;s7;s5s9;s6;s7;s9;s1s12;s11;s2s13s14;s11;s3s15;s17;s4s18s19;s1;s2;s3;s6;s8;s8;s10;s10;s5;s12;s13;s15;s17;s19;s21;s21;s21;s22;s22;s22;s4;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.933640 0.000000 6.553031 8.110624 0.000000 7.853668 9.950029 2.891966 0.000000 6.478952 6.163900 6.715975 7.872556 0.000000 4.986127 5.802653 4.957126 5.789756 2.468720 0.000000 3.744014 4.267230 5.342019 6.634949 2.829320 1.536384 0.000000 6.244689 6.517426 5.391575 6.423383 1.473411 1.555763 2.534631 0.000000 4.258363 3.738567 6.286334 7.878323 2.471155 2.577654 1.422935 2.851278 0.000000 5.783382 4.957666 6.866398 8.441972 1.474017 3.014960 2.572942 2.452532 1.525357 0.000000 5.227859 6.616214 3.718520 4.265423 3.815607 1.527231 2.584354 2.527594 3.827167 4.370192 0.000000 2.428829 3.758265 5.284833 6.509542 4.238587 2.560346 1.417543 3.848453 2.444127 3.858470 3.020338 0.000000 3.754346 2.426630 7.047488 8.829537 3.765226 3.868987 2.451074 4.258631 1.414947 2.534370 4.981150 2.800616 0.000000 1.418391 2.489323 6.163663 7.628706 5.108836 3.865990 2.466081 4.984851 2.840629 4.365339 4.395370 1.406562 2.441063 0.000000 5.258312 6.653613 2.395618 3.724100 4.542215 2.567346 3.133050 3.227488 4.222949 4.820228 1.417145 3.358986 5.207485 4.533911 0.000000 2.485776 1.416771 7.020821 8.745418 4.917141 4.386516 2.851236 5.156066 2.462617 3.843630 5.230520 2.444716 1.406978 1.424484 5.361119 0.000000 6.022053 7.729789 4.235570 3.757924 4.753135 2.554202 3.747852 3.490283 5.044762 5.538082 1.415220 3.997403 6.196898 5.382661 2.430076 6.356584 0.000000 6.071082 7.771173 1.405428 2.437908 5.871960 3.874053 4.494778 4.484636 5.617483 6.212518 2.474087 4.500190 6.532528 5.596884 1.411385 6.549993 2.834175 0.000000 6.746624 8.716115 3.768059 2.472056 6.030384 3.854934 4.939868 4.668949 6.258547 6.783287 2.456525 4.993383 7.348324 6.306439 2.804866 7.390758 1.411818 2.451488 0.000000 6.788324 8.752833 2.504193 1.412618 6.509906 4.379090 5.255443 5.080165 6.510573 7.078453 2.853686 5.219670 7.507284 6.417324 2.444347 7.492129 2.453546 1.426007 1.412019 0.000000 1.481195 3.130538 6.557424 8.185310 7.384086 5.961913 4.698772 7.092339 5.066557 6.542550 6.045200 3.482274 4.398256 2.433741 5.738827 3.107265 6.934859 6.387957 7.487931 7.261511 0.000000 3.112128 1.481550 9.139786 10.707213 7.030742 6.565453 5.083514 7.437724 4.708195 5.946296 7.392579 4.401806 3.495719 3.106018 7.599570 2.437023 8.338929 8.684017 9.342205 9.516526 3.523372 0.000000 6.892554 8.740462 1.477989 2.918078 8.076307 6.154546 6.409392 6.768365 7.414106 8.154253 4.850206 6.073193 8.023839 6.797007 3.617521 7.775513 5.164724 2.472987 4.443584 3.088168 6.709055 9.678967 0.000000 5.293761 6.189563 5.829004 6.233049 2.714794 1.109183 2.143023 2.146436 3.101634 3.474011 2.146047 2.980329 4.327136 4.252878 3.448707 4.801263 2.601042 4.619021 4.010530 4.840605 6.455412 6.738505 6.953000 0.000000 7.134933 7.573933 5.673865 6.286355 2.113106 2.184813 3.480710 1.104303 3.909331 3.395266 2.787606 4.707885 5.323452 5.936558 3.623870 6.198346 3.345317 4.673662 4.447830 5.010700 8.034105 8.430718 7.059584 2.421125 0.000000 6.387880 6.593326 4.744515 6.169239 2.169517 2.188177 2.885342 1.118963 3.099940 2.704523 2.710074 4.099018 4.396907 5.149547 2.884374 5.282969 3.850186 4.078356 4.805961 4.904087 7.021797 7.677897 6.176214 3.069790 1.792816 0.000000 6.205917 5.212746 6.666277 8.533543 2.168133 3.618619 3.186455 2.840623 2.153852 1.121918 4.748120 4.393805 2.909558 4.813065 4.896806 4.210842 6.019886 6.222210 7.141106 7.236422 6.740145 6.386766 7.977334 4.294389 3.776736 2.640150 0.000000 6.239363 5.000493 7.960432 9.501954 2.110674 3.920233 3.378084 3.394225 2.163542 1.106313 5.359402 4.545139 2.716174 4.843178 5.893233 4.084962 6.451523 7.293813 7.750533 8.124479 7.037396 5.858716 9.228468 4.164434 4.211885 3.755444 1.788762 0.000000 7.488312 7.004338 7.349236 8.469584 1.026318 3.374155 3.849769 2.103397 3.385919 2.098032 4.601971 5.262154 4.583916 6.106447 5.288771 5.822434 5.443138 6.550067 6.668828 7.152305 8.363237 7.886323 8.761324 3.548173 2.356034 2.627672 2.508264 2.435333 0.000000 2.613089 4.634207 4.866006 5.726813 4.891004 2.769939 2.186023 4.238897 3.443447 4.753648 2.715331 1.094974 3.895274 2.149434 3.068434 3.425888 3.411885 3.973806 4.240557 4.495954 3.654567 5.127770 5.505936 3.079411 4.926148 4.498326 5.283866 5.501446 5.901211 0.000000 4.629623 2.607119 7.916029 9.818406 4.143351 4.762123 3.451751 4.892129 2.188643 2.743777 5.948846 3.896602 1.096311 3.423015 6.145308 2.148376 7.185012 7.478145 8.357284 8.499379 5.126719 3.670381 8.921731 5.193729 5.941376 4.984452 2.945284 2.564401 4.787797 4.991087 0.000000 4.991865 6.022799 2.555996 4.580929 4.372548 2.797707 2.925898 3.241561 3.742678 4.351787 2.190554 3.210434 4.594112 4.169610 1.095209 4.799460 3.433843 2.145265 3.899507 3.421541 5.296482 7.115109 3.803378 3.843839 3.886090 2.651455 4.242272 5.431979 5.120700 3.220562 5.456426 0.000000 6.352731 7.993226 5.331481 4.641433 4.734625 2.757677 4.004374 3.675526 5.243182 5.660220 2.177986 4.320888 6.415454 5.693197 3.428017 6.619907 1.096073 3.930197 2.173100 3.441481 7.431772 8.464145 6.237426 2.342212 3.385464 4.303936 6.302932 6.449441 5.379111 3.788569 7.375384 4.350071 0.000000 7.537850 9.627498 4.669296 2.713361 6.841844 4.731528 5.865751 5.526356 7.198390 7.695484 3.449668 5.880210 8.295792 7.183092 3.903631 8.310183 2.179281 3.445803 1.098767 2.173495 8.332884 10.156057 5.162156 4.691867 5.164183 5.759200 8.115538 8.618676 7.430763 5.063096 9.311404 4.998232 2.501382 0.000000 2.131795 3.795250 5.591585 7.377527 7.254519 5.711979 4.590001 6.785075 5.073372 6.484400 5.584890 3.452590 4.612825 2.745649 5.053429 3.522615 6.509741 5.571694 6.927876 6.527246 1.106845 4.462427 5.689399 6.345279 7.700013 6.574236 6.559669 7.123345 8.216052 3.509514 5.395124 4.569251 7.146899 7.816433 0.000000 2.141629 2.440897 7.180271 9.036506 7.461896 6.375927 4.980082 7.346508 5.036028 6.439161 6.646942 3.957050 4.113500 2.709651 6.326155 2.837678 7.661773 7.085391 8.307949 8.068762 1.105299 2.981825 7.424043 6.909014 8.358693 7.233306 6.552977 6.820424 8.394615 4.381415 4.638723 5.733904 8.144579 9.202596 1.809513 0.000000 2.068530 3.925299 7.183670 8.598902 8.372677 6.825812 5.630921 8.046285 6.082705 7.579995 6.807526 4.322588 5.409706 3.330634 6.519253 4.064640 7.554430 7.027181 8.003739 7.780982 1.100953 3.977227 7.141825 7.235941 8.945293 8.014788 7.821664 8.050759 9.367189 4.307729 6.120647 6.178735 8.021333 8.764356 1.807348 1.813370 0.000000 2.414988 2.141839 8.828871 10.198071 7.300014 6.466038 5.053586 7.530029 4.989229 6.363154 7.127530 4.117072 3.969597 2.835511 7.348300 2.712265 7.951315 8.330271 8.870257 9.061340 2.966092 1.104896 9.251567 6.587234 8.474810 7.803573 6.866902 6.408280 8.223257 4.639736 4.395923 6.978863 8.073764 9.625819 3.999636 2.727171 3.224269 0.000000 3.913469 2.067930 9.920679 11.604205 7.975017 7.601741 6.096927 8.419122 5.635587 6.804843 8.404610 5.413292 4.330497 4.065298 8.520129 3.331381 9.382101 9.567517 10.348352 10.451857 3.985805 1.100883 10.393026 7.817147 9.436925 8.594262 7.146245 6.658437 8.794300 6.123243 4.316175 7.968763 9.541903 11.176184 4.948797 3.247782 4.295512 1.813827 0.000000 3.768484 2.131799 9.639443 11.079029 6.731411 6.505242 5.095749 7.307734 4.611822 5.706406 7.500158 4.615577 3.477931 3.517678 7.889174 2.752424 8.394919 9.059747 9.505856 9.823439 4.457079 1.106851 10.286784 6.534202 8.253053 7.679685 6.278608 5.452989 7.533482 5.392482 3.542873 7.466306 8.388904 10.280051 5.356402 4.013530 4.933209 1.809248 1.807155 0.000000 8.415138 10.604752 3.868755 0.989284 8.311175 6.213801 7.167807 6.871147 8.457978 8.996075 4.711876 7.049218 9.455972 8.216434 4.424586 9.374015 3.920619 3.266580 2.517750 1.983391 8.850207 11.279546 3.862690 6.503874 6.612379 6.739787 9.170731 10.027685 8.881893 6.207564 10.463455 5.370670 4.629468 2.333096 8.106010 9.742694 9.214462 10.727818 12.208097 11.597594 0.000000 6.086714 8.133775 2.132858 3.358661 8.145880 6.083415 6.146842 6.911705 7.195774 8.118212 4.841541 5.579662 7.671159 6.175691 3.705448 7.243975 5.172585 2.766804 4.552861 3.359447 5.851959 8.971906 1.107503 6.830775 7.304243 6.420742 8.026608 9.151253 8.924084 4.944000 8.606801 3.868039 6.197791 5.269453 4.854488 6.639621 6.184544 8.465754 9.660476 9.628325 4.222031 0.000000 7.662453 9.665316 2.138840 2.246621 8.649605 6.650511 7.089363 7.269336 8.183888 8.879680 5.226565 6.774119 8.884962 7.599147 4.152462 8.650579 5.255452 2.809470 4.275538 2.907085 7.576968 10.540125 1.101591 7.346890 7.412172 6.748491 8.761205 9.963855 9.301764 6.097195 9.816248 4.559982 6.285685 4.793741 6.597839 8.359524 7.941962 10.056918 11.291543 11.109442 3.096768 1.808470 0.000000 7.437138 9.068718 2.054677 3.863711 8.620608 6.886833 7.039389 7.364490 7.903535 8.591106 5.682433 6.739487 8.428106 7.338698 4.349743 8.198286 6.133244 3.340489 5.471725 4.098036 7.065599 10.092611 1.100715 7.767124 7.706794 6.645625 8.280709 9.659550 9.262909 6.288878 9.248105 4.306958 7.220663 6.208874 5.988838 7.675823 7.509986 9.729693 10.729392 10.760531 4.800982 1.806748 1.812815 0.000000 C18H21NO4 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 0 294.1968999999998 AuxInfo=1/0/N:23,22,21,17,19,15,13,12,10,8,11,9,7,6,20,18,16,14,5,4,3,2,1/CRV:4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,15.3,16.3,17.3,18.3/rA:44OOOONCC3CC3CC3C3C3C3C3C3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s5s6;s7;s5s9;s6;s7;s9;s1s12;s11;s2s13s14;s11;s3s15;s17;s4s18s19;s1;s2;s3;s6;s8;s8;s10;s10;s5;s12;s13;s15;s17;s19;s21;s21;s21;s22;s22;s22;s4;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3636664 0.1526629 0.1218443 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= 16290 NPrTT= 83167 LenC2= 13964 LenP2D= 43662. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 272 RedAO= T EigKep= 2.69D-04 NBF= 272 NBsUse= 272 1.00D-06 EigRej= -1.00D+00 NBFU= 272 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= 265 265 265 265 265 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 0 1 -1052.43176530089 -1052.50962830399 -0.077863003096 -1052.68240264520 -0.172774341211 -1052.71894105799 -0.036538412795 -1052.74109084577 -0.022149787771 -1052.74342352571 -0.002332679941 -1052.74347800293 -0.000054477222 -1052.74349762223 -0.000019619303 -1052.74370433854 -0.000206716307 -1052.74370366256 0.000000675978 -1052.74370517495 -0.000001512393 -1052.74370535967 -0.000000184717 -1052.74370538801 -0.000000028337 -1052.74370538945 -0.000000001444 -1052.74370538970 -0.000000000254 -1052.74370538972 -0.000000000010 -1052.74370538971 0.000000000000 -1052.74370539 17 1.047652279552e+03 -6.271224964222e+03 2.264007800008e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=699680134. IVT= 244306 IEndB= 244306 NGot= 939524096 MDV= 250017035 LenX= 250017035 LenY= 249942610 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= 37128 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= 939523380 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=699448800. 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= 37128 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= 1.58D-14 1.00D-09 XBig12= 4.19D+02 7.53D+00. AX will form 132 AO Fock derivatives at one time. 132 vectors produced by pass 1 Test12= 1.58D-14 1.00D-09 XBig12= 1.18D+02 1.37D+00. 132 vectors produced by pass 2 Test12= 1.58D-14 1.00D-09 XBig12= 3.79D-01 4.53D-02. 132 vectors produced by pass 3 Test12= 1.58D-14 1.00D-09 XBig12= 2.14D-04 1.24D-03. 90 vectors produced by pass 4 Test12= 1.58D-14 1.00D-09 XBig12= 2.43D-08 1.32D-05. 7 vectors produced by pass 5 Test12= 1.58D-14 1.00D-09 XBig12= 2.00D-12 1.09D-07. 3 vectors produced by pass 6 Test12= 1.58D-14 1.00D-09 XBig12= 1.41D-15 2.54D-09. InvSVY: IOpt=1 It= 1 EMax= 3.55D-14 Solved reduced A of dimension 628 with 135 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 220.00 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 268.481 8.485 226.049 18.779 -4.583 165.471 433.812 29.066 391.978 53.434 -14.396 332.451 (Enter /mnt/data/applications/G09/g09/l716.exe) PT4793.400S 2018-03-25T04:06:07.000+02:00 -18.79776 -18.77463 -18.77410 -18.77259 -13.97960 -9.96800 -9.95782 -9.95092 -9.94932 -9.93405 -9.93363 -9.93076 -9.92287 -9.91740 -9.91048 -9.90792 -9.90776 -9.90657 -9.90623 -9.90262 -9.89749 -9.89711 -9.89385 -0.97573 -0.95498 -0.94519 -0.93524 -0.83071 -0.77810 -0.76750 -0.71765 -0.68654 -0.68144 -0.67180 -0.65205 -0.62319 -0.61888 -0.61748 -0.58194 -0.56728 -0.55184 -0.54480 -0.52131 -0.49538 -0.48935 -0.46646 -0.45306 -0.44233 -0.44120 -0.42557 -0.42308 -0.40961 -0.40268 -0.39789 -0.39527 -0.39188 -0.39034 -0.38205 -0.37750 -0.37659 -0.37137 -0.36825 -0.36604 -0.35153 -0.34663 -0.33595 -0.33118 -0.32215 -0.31919 -0.31333 -0.30017 -0.29403 -0.28563 -0.28266 -0.27678 -0.26895 -0.24075 -0.23917 -0.22002 -0.20703 -0.19924 -0.18859 -0.18399 -0.16592 -0.03769 -0.02866 -0.02568 -0.02179 0.02278 0.03912 0.05638 0.06264 0.06576 0.08426 0.09009 0.10019 0.11058 0.11470 0.12027 0.12206 0.12288 0.12832 0.13438 0.14082 0.14297 0.15036 0.15525 0.15726 0.16673 0.17026 0.17230 0.17440 0.17821 0.18156 0.18483 0.18688 0.19124 0.19289 0.19945 0.20499 0.20860 0.21704 0.22321 0.22584 0.23381 0.23725 0.24317 0.25072 0.25692 0.26197 0.26398 0.26866 0.28017 0.28937 0.29260 0.29602 0.30093 0.30669 0.30728 0.31384 0.31979 0.32205 0.32948 0.33883 0.34288 0.35271 0.35630 0.36264 0.36962 0.37289 0.37613 0.38595 0.38929 0.39434 0.40472 0.41225 0.41550 0.42380 0.42652 0.43194 0.43792 0.44645 0.44911 0.45643 0.46353 0.47139 0.48044 0.49445 0.49828 0.50712 0.51389 0.51767 0.52439 0.54632 0.56019 0.56180 0.56962 0.59174 0.59942 0.61244 0.61952 0.62955 0.63269 0.65349 0.65876 0.66997 0.69873 0.71931 0.72296 0.73227 0.74012 0.75819 0.77475 0.78326 0.79253 0.80703 0.83567 0.84588 0.85325 0.85803 0.87224 0.87443 0.88058 0.89561 0.90239 0.91801 0.92808 0.94688 0.94786 0.96050 0.97244 0.97593 0.98236 1.01023 1.01156 1.01521 1.02379 1.04759 1.05395 1.07631 1.08081 1.08951 1.10615 1.11126 1.11777 1.12154 1.12959 1.14084 1.14758 1.15082 1.16138 1.17519 1.18050 1.19883 1.20701 1.21618 1.21881 1.26115 1.34664 1.36358 1.39293 1.43610 1.45490 1.48944 1.55149 1.73374 1.73514 1.76318 1.77120 22.28465 22.37497 22.52137 22.52966 22.53923 22.54211 22.56052 22.58565 22.60491 22.61696 22.63512 22.65763 22.70813 22.71844 22.73979 22.74920 22.79110 22.82241 31.50870 41.51833 41.56026 41.56678 41.57405 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 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 -0.303371 -0.300173 -0.292486 -0.452576 -0.310974 -0.320548 0.298127 -0.494373 0.291991 -0.543437 0.581928 -0.545800 -0.535676 0.211119 -0.514421 0.182543 -0.488929 0.220472 -0.363261 0.155541 -0.530924 -0.530704 -0.522556 0.252887 0.231479 0.207527 0.200615 0.233541 0.270542 0.273578 0.251507 0.273790 0.237634 0.212713 0.221731 0.251791 0.226294 0.254419 0.226397 0.221003 0.359074 0.209628 0.264005 0.228333 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 23 O O O O N C C C C C C C C C C C C C C C C C C -0.303371 -0.300173 -0.292486 -0.093502 -0.040431 -0.067662 0.298127 -0.055367 0.291991 -0.109281 0.581928 -0.272222 -0.284169 0.211119 -0.240631 0.182543 -0.251296 0.220472 -0.150548 0.155541 0.168892 0.171116 0.179410 0.00000 -4.28895013e-01 -4.27903717e-02 -4.84109663e-01 2.68480670e+02 8.48486081e+00 2.26048800e+02 1.87793980e+01 -4.58279228e+00 1.65470576e+02 -5.6309 0.0005 0.0007 0.0008 5.6435 6.4579 25.9245 30.5035 33.8977 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 25.7756 30.0225 33.8707 62.1931 76.2302 86.5332 103.6323 108.8024 125.2093 141.2588 153.1815 158.1981 165.6075 184.9539 219.9882 228.0848 248.6261 267.6988 273.3357 282.5602 300.1801 320.5302 327.4138 341.6035 370.4736 382.0872 411.0686 425.5674 435.2986 463.9087 470.0345 495.2671 542.7217 556.4064 580.0069 599.9838 645.0760 651.1020 672.0881 699.5699 717.7925 726.4288 735.9566 746.1477 783.6549 796.0211 818.1180 882.0595 890.9657 898.4035 907.5489 918.4011 922.4220 944.0904 962.8448 984.1069 998.8785 1008.7518 1048.0286 1079.3176 1092.0569 1113.7645 1114.4144 1115.2023 1142.4628 1143.1166 1152.0787 1155.8457 1159.2278 1162.9293 1176.0019 1188.5013 1190.7490 1218.6275 1228.6259 1242.6971 1253.0973 1266.6981 1273.2197 1275.3833 1306.5669 1316.5869 1361.1602 1369.0626 1390.9478 1395.0683 1412.3901 1422.7627 1439.2077 1441.7313 1446.1923 1456.2997 1456.4831 1458.2879 1462.8220 1472.9739 1477.9146 1481.9141 1487.3244 1490.3238 1499.6232 1566.4426 1595.2790 1615.3344 1619.2157 2825.7176 2866.3534 2967.1406 2970.2609 2974.5817 2977.0084 3013.2966 3048.4888 3062.4626 3066.9540 3084.7320 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