Gaussian 09 GINC-KIMIK2035 CBGUSER 000214395 EM64L-G09RevD.01 25-Nov-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInputnosymm 194.16719999999992 0 1 AuxInfo=1/0/N:8,9,12,13,16,14,15,10,11,4,3,5,6,7,2,1/E:(1,2)(3,4)(6,7)(8,9)/CRV:5.3,6.3,7.3,8.3,9.3,14.3/rA:41NCCCCCC3CCC3C3CCC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s3;s1s2;s4;s2;s6;s6;s7;s7;s1;s1;s10;s11;s14s15;s2;s3;s3;s4;s4;s5;s5;s6;s8;s8;s8;s9;s9;s9;s10;s11;s12;s12;s12;s13;s13;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-6637.inp" -scrdir="/scratch/" chk=000214395.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 000214395 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 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 (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 1 1 1 2 2 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 13 13 14 14 15 15 16 5 12 13 3 5 7 17 4 18 19 6 20 21 22 23 8 9 24 10 11 25 26 27 28 29 30 14 31 15 32 33 34 35 36 37 38 16 39 16 40 41 1.5011 1.4926 1.4946 1.5444 1.5517 1.5141 1.1237 1.5337 1.1081 1.1062 1.5435 1.1087 1.1061 1.1118 1.109 1.5344 1.5353 1.1185 1.404 1.4046 1.0947 1.095 1.0953 1.0951 1.0949 1.0952 1.3972 1.0879 1.3971 1.089 1.1012 1.0993 1.1033 1.102 1.1015 1.0992 1.3983 1.0885 1.3984 1.0886 1.0871 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 5 5 12 3 3 3 5 5 7 2 2 2 4 4 18 3 3 3 6 6 20 1 1 1 2 2 22 4 4 4 8 8 9 2 2 10 6 6 6 25 25 26 6 6 6 28 28 29 7 7 14 7 7 15 1 1 1 33 33 34 1 1 1 36 36 37 10 10 16 11 11 16 14 14 15 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 12 13 13 5 7 17 7 17 17 4 18 19 18 19 19 6 20 21 20 21 21 2 22 23 22 23 23 8 9 24 9 24 24 10 11 11 25 26 27 26 27 27 28 29 30 29 30 30 14 31 31 15 32 32 33 34 35 34 35 35 36 37 38 37 38 38 16 39 39 16 40 40 15 41 41 111.3495 110.6096 109.9683 110.1256 110.8074 107.8541 111.6327 107.1749 109.0991 111.8619 109.2052 110.2042 109.4654 109.8887 106.0424 112.283 109.372 110.0844 109.4961 109.8928 105.4847 108.886 108.8993 113.2284 108.8684 110.8034 106.0343 111.4293 109.9885 108.5451 110.2822 108.3541 108.151 121.27 119.5948 119.1336 111.3071 111.3925 111.5739 107.6068 107.4056 107.3358 111.4528 111.2591 111.6495 107.4499 107.4754 107.3281 120.3433 119.9491 119.7068 120.3647 119.8683 119.7668 108.89 114.9836 109.1889 108.4335 107.0361 108.0219 108.8692 108.9797 115.0476 106.8469 108.1589 108.6327 120.2703 119.8188 119.9108 120.2368 119.8221 119.9411 119.651 120.1769 120.1721 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 12 12 12 13 13 13 5 5 5 13 13 13 5 5 5 12 12 12 5 5 5 7 7 7 17 17 17 3 3 3 7 7 7 17 17 17 3 3 5 5 17 17 2 2 2 18 18 18 19 19 19 3 3 3 20 20 20 21 21 21 4 4 4 9 9 9 24 24 24 4 4 4 8 8 8 24 24 24 2 2 11 11 2 2 10 10 7 7 31 31 7 7 32 32 10 10 39 39 11 11 40 40 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 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 10 10 10 10 11 11 11 11 14 14 14 14 15 15 15 15 5 5 5 5 5 5 12 12 12 12 12 12 13 13 13 13 13 13 3 3 3 3 3 3 3 3 3 5 5 5 5 5 5 5 5 5 7 7 7 7 7 7 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 2 22 23 2 22 23 33 34 35 33 34 35 36 37 38 36 37 38 4 18 19 4 18 19 4 18 19 1 22 23 1 22 23 1 22 23 10 11 10 11 10 11 6 20 21 6 20 21 6 20 21 8 9 24 8 9 24 8 9 24 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 14 31 14 31 15 32 15 32 16 39 16 39 16 40 16 40 15 41 15 41 14 41 14 41 -86.7039 154.7153 37.0281 150.699 32.1183 -85.5689 174.4503 -63.6694 57.9019 -62.5845 59.2958 -179.1329 -178.0595 -61.8643 60.3893 58.5414 174.7366 -63.0098 173.5356 52.2046 -63.9001 -62.4583 176.2107 60.1059 56.8919 -64.4391 179.4562 -147.7258 -29.1257 87.1124 88.7474 -152.6524 -36.4143 -30.6588 87.9413 -155.8205 -62.1313 117.4002 61.0085 -119.46 179.2697 -1.1987 -179.3915 58.8455 -56.615 -58.211 -179.9739 64.5656 57.8646 -63.8984 -179.3589 71.3695 -166.0134 -47.8705 -166.9384 -44.3212 73.8217 -51.5151 71.1021 -170.7551 -178.3055 -58.2068 61.7285 59.2462 179.3448 -60.7198 -58.9519 61.1467 -178.9179 59.9607 179.8684 -60.2455 -176.748 -56.8403 63.0458 -58.4253 61.4825 -178.6315 179.7409 0.052 0.2073 -179.4817 -179.7256 0.4421 -0.184 179.9837 -0.0865 -179.9818 179.6032 -0.2921 0.0397 179.9933 179.8722 -0.1742 -0.06 -179.9622 179.8352 -0.067 0.0832 179.9855 -179.8703 0.032 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 3.00e-01 1.00e-07 1.00e-06 228 246 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 41 41 41 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= 10731 NPrTT= 53061 LenC2= 9844 LenP2D= 31701. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 210 RedAO= T EigKep= 8.76D-04 NBF= 210 NBsUse= 210 1.00D-06 EigRej= -1.00D+00 NBFU= 210 Using GEDIIS/GDIIS optimizer. local minimum Step number 9 out of a maximum of 228 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00138 0.00251 0.00256 0.00294 0.00306 0.00337 0.00390 0.00441 0.00517 0.00654 0.01459 0.01970 0.02026 0.02076 0.02087 0.02105 0.02111 0.02116 0.02119 0.02121 0.03401 0.03479 0.03596 0.03854 0.04480 0.04710 0.04798 0.04877 0.04991 0.05176 0.05381 0.05413 0.05469 0.05516 0.05539 0.05734 0.06786 0.06927 0.07040 0.07283 0.08474 0.08595 0.09616 0.12225 0.12422 0.13036 0.15311 0.15688 0.15956 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16009 0.16017 0.16033 0.16049 0.16059 0.16071 0.16720 0.17071 0.17088 0.18142 0.18455 0.19593 0.21944 0.22005 0.22361 0.23373 0.24191 0.24584 0.24764 0.28155 0.28484 0.28759 0.29252 0.29625 0.29859 0.30621 0.31259 0.31690 0.32114 0.32442 0.32668 0.32778 0.32870 0.33015 0.33028 0.33134 0.33259 0.33407 0.33541 0.33601 0.33675 0.33774 0.34212 0.34218 0.34255 0.34267 0.34421 0.34720 0.34939 0.34984 0.35027 0.35125 0.36043 0.36325 0.41593 0.41639 0.45115 0.45796 0.45990 0.50582 RFO step: Lambda=-6.08067549D-08. 1 2 0.00125339 0.00000081 0.00000047 0.00000002 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 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 2.80222 2.79408 2.79404 2.95296 2.94703 2.89204 2.09449 2.91879 2.09395 2.09860 2.93417 2.09367 2.10035 2.09210 2.12022 2.92594 2.92420 2.10102 2.68489 2.68093 2.09046 2.08822 2.09343 2.09032 2.09041 2.09299 2.66873 2.07335 2.67194 2.07333 2.08840 2.11771 2.07951 2.08856 2.08777 2.11759 2.67388 2.07190 2.67189 2.07158 2.07094 1.98967 1.95413 1.94171 1.90835 1.93255 1.88297 1.99175 1.85054 1.89294 1.98570 1.88663 1.90822 1.91225 1.90628 1.86060 1.99912 1.90180 1.90600 1.89416 1.90023 1.85730 2.00351 1.86277 1.94861 1.87103 1.91162 1.85831 1.96341 1.92406 1.87712 1.92695 1.88481 1.88472 2.11187 2.11038 2.06058 1.93500 1.95621 1.92915 1.87758 1.87992 1.88315 1.94153 1.94341 1.93043 1.88518 1.88058 1.88022 2.11229 2.08896 2.08194 2.11520 2.07812 2.08985 1.90811 1.96880 1.92847 1.88694 1.88840 1.88100 1.90932 1.91840 1.98297 1.88447 1.87988 1.88600 2.09919 2.09142 2.09257 2.09622 2.09188 2.09508 2.08284 2.09980 2.10054 -1.34680 2.86608 0.84207 2.71285 0.64254 -1.38147 3.10542 -1.07775 1.02898 -0.94783 1.15218 -3.02428 -3.05636 -0.99004 1.12560 0.97782 3.04414 -1.12341 3.00721 0.87914 -1.13974 -1.06684 3.08827 1.06939 1.00213 -1.12594 3.13836 -2.73936 -0.67370 1.33580 1.36883 -2.84869 -0.83919 -0.71352 1.35214 -2.92154 -1.13745 1.97496 1.02458 -2.14619 3.08282 -0.08795 3.06054 0.93554 -1.08657 -1.10883 3.04936 1.02725 0.92324 -1.20176 3.05932 1.09759 -3.02653 -0.97571 -3.05643 -0.89736 1.15346 -1.04162 1.11744 -3.11492 3.10884 -1.07598 1.02545 0.95138 3.04975 -1.13201 -1.10556 0.99281 3.09424 0.99574 3.09956 -1.09356 -3.10739 -1.00356 1.08650 -1.05039 1.05344 -3.13968 3.12254 -0.01978 0.00932 -3.13300 -3.12101 0.02487 -0.00776 3.13812 -0.00466 3.13822 3.13766 -0.00265 0.00152 -3.14012 3.13879 -0.00285 -0.00181 -3.14092 3.13850 -0.00061 0.00336 -3.14072 -3.13818 0.00093 -0.00001 0.00000 -0.00002 -0.00004 0.00001 -0.00003 0.00002 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00002 0.00000 -0.00001 0.00001 0.00000 -0.00005 -0.00002 -0.00002 -0.00001 -0.00002 -0.00002 -0.00001 -0.00004 -0.00001 -0.00003 -0.00001 -0.00001 0.00002 -0.00002 0.00000 -0.00001 0.00001 -0.00002 -0.00001 -0.00004 -0.00001 -0.00001 0.00003 0.00001 -0.00003 -0.00002 0.00002 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00002 0.00000 0.00000 -0.00001 0.00000 0.00002 0.00000 0.00001 -0.00002 -0.00002 0.00001 0.00002 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00003 0.00002 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00001 0.00000 0.00001 0.00001 0.00001 0.00000 -0.00002 -0.00002 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00000 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0.00019 0.00002 0.00001 0.00003 0.00002 0.00000 -0.00001 0.00033 0.00033 0.00034 0.00029 0.00030 0.00030 0.00031 0.00032 0.00032 0.00033 0.00031 0.00032 0.00030 0.00029 0.00029 0.00032 0.00030 0.00030 0.00006 0.00006 0.00006 0.00007 0.00007 0.00007 0.00007 0.00008 0.00007 0.00011 0.00012 0.00011 0.00010 0.00010 0.00010 0.00010 0.00011 0.00010 0.00001 0.00002 0.00002 0.00003 -0.00001 -0.00002 -0.00002 -0.00003 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00002 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00004 -0.00003 -0.00018 0.00004 -0.00010 0.00004 0.00000 -0.00001 -0.00002 -0.00005 -0.00002 -0.00002 0.00003 -0.00007 0.00003 -0.00001 0.00002 0.00003 -0.00009 -0.00002 -0.00003 -0.00002 -0.00003 -0.00004 -0.00002 -0.00006 -0.00001 -0.00004 -0.00002 -0.00002 0.00008 -0.00007 -0.00001 -0.00003 0.00005 -0.00001 -0.00003 -0.00005 -0.00002 -0.00002 0.00024 0.00017 -0.00005 -0.00002 0.00018 0.00008 -0.00013 -0.00015 0.00004 -0.00014 0.00008 0.00007 0.00005 -0.00004 -0.00002 0.00012 -0.00013 0.00003 -0.00007 0.00002 0.00003 0.00008 0.00007 0.00012 -0.00022 -0.00012 0.00007 0.00005 -0.00008 0.00000 0.00000 0.00002 0.00001 -0.00014 0.00013 0.00002 0.00000 0.00000 -0.00002 0.00000 -0.00002 0.00004 -0.00001 0.00001 -0.00002 0.00004 -0.00003 0.00001 0.00001 -0.00002 0.00001 -0.00003 -0.00002 0.00004 -0.00005 -0.00001 0.00009 -0.00015 0.00009 0.00005 0.00000 0.00011 0.00002 0.00005 -0.00013 -0.00005 -0.00003 0.00002 0.00002 0.00002 -0.00002 -0.00001 0.00001 0.00000 -0.00002 -0.00102 -0.00084 -0.00103 -0.00130 -0.00112 -0.00131 0.00009 -0.00015 -0.00004 0.00047 0.00024 0.00035 0.00055 0.00067 0.00069 0.00013 0.00025 0.00027 -0.00087 -0.00091 -0.00097 -0.00093 -0.00096 -0.00103 -0.00073 -0.00076 -0.00082 -0.00056 -0.00058 -0.00068 -0.00068 -0.00070 -0.00080 -0.00056 -0.00058 -0.00067 0.00158 0.00173 0.00160 0.00175 0.00136 0.00151 -0.00016 -0.00005 -0.00003 -0.00011 0.00000 0.00002 -0.00012 -0.00002 0.00001 0.00021 0.00019 0.00016 0.00007 0.00005 0.00002 0.00007 0.00005 0.00002 -0.00044 -0.00044 -0.00040 -0.00037 -0.00037 -0.00033 -0.00039 -0.00040 -0.00036 -0.00024 -0.00019 -0.00018 -0.00023 -0.00018 -0.00017 -0.00020 -0.00015 -0.00015 0.00019 0.00015 0.00005 0.00000 -0.00023 -0.00010 -0.00009 0.00004 0.00002 -0.00001 0.00006 0.00003 0.00006 0.00008 -0.00006 -0.00004 -0.00005 -0.00010 -0.00001 -0.00006 0.00001 0.00006 -0.00001 0.00004 0.00002 0.00004 -0.00003 -0.00021 0.00005 -0.00009 0.00004 0.00001 -0.00001 -0.00001 -0.00004 -0.00002 -0.00001 0.00002 -0.00007 0.00004 -0.00002 0.00002 0.00004 -0.00008 -0.00001 -0.00002 -0.00001 -0.00002 -0.00003 0.00000 -0.00006 0.00000 -0.00004 -0.00001 -0.00002 0.00010 -0.00008 -0.00001 -0.00004 0.00007 -0.00001 -0.00002 -0.00004 -0.00002 -0.00001 0.00022 0.00019 -0.00006 -0.00002 0.00022 0.00008 -0.00016 -0.00016 0.00004 -0.00015 0.00005 0.00009 0.00007 -0.00004 -0.00001 0.00012 -0.00016 0.00004 -0.00006 0.00002 0.00003 0.00006 0.00004 0.00011 -0.00023 -0.00009 0.00011 0.00005 -0.00008 0.00001 -0.00001 0.00002 0.00001 -0.00016 0.00015 0.00001 0.00001 0.00000 -0.00004 0.00000 -0.00001 0.00005 -0.00001 0.00000 -0.00002 0.00005 -0.00003 0.00001 0.00001 -0.00002 0.00001 -0.00002 -0.00002 0.00004 -0.00004 -0.00005 0.00007 -0.00015 0.00011 0.00006 -0.00001 0.00010 0.00000 0.00007 -0.00012 -0.00004 -0.00004 0.00002 0.00002 0.00002 -0.00002 0.00000 0.00001 0.00000 -0.00002 -0.00100 -0.00078 -0.00099 -0.00127 -0.00105 -0.00126 -0.00004 -0.00029 -0.00019 0.00036 0.00011 0.00021 0.00057 0.00071 0.00074 0.00016 0.00030 0.00032 -0.00071 -0.00073 -0.00080 -0.00078 -0.00080 -0.00086 -0.00056 -0.00058 -0.00064 -0.00037 -0.00045 -0.00048 -0.00052 -0.00060 -0.00064 -0.00037 -0.00045 -0.00048 0.00161 0.00175 0.00163 0.00177 0.00136 0.00150 0.00017 0.00028 0.00031 0.00018 0.00029 0.00032 0.00019 0.00030 0.00033 0.00054 0.00050 0.00047 0.00037 0.00034 0.00031 0.00039 0.00035 0.00033 -0.00038 -0.00038 -0.00034 -0.00030 -0.00030 -0.00026 -0.00032 -0.00032 -0.00029 -0.00013 -0.00007 -0.00007 -0.00013 -0.00007 -0.00007 -0.00010 -0.00004 -0.00004 0.00020 0.00017 0.00006 0.00003 -0.00024 -0.00012 -0.00011 0.00001 0.00002 -0.00001 0.00005 0.00002 0.00007 0.00008 -0.00005 -0.00003 -0.00006 -0.00010 -0.00003 -0.00007 0.00001 0.00005 0.00000 0.00004 2.80224 2.79413 2.79401 2.95275 2.94708 2.89195 2.09453 2.91880 2.09395 2.09859 2.93414 2.09365 2.10034 2.09211 2.12015 2.92598 2.92419 2.10104 2.68493 2.68085 2.09045 2.08820 2.09343 2.09030 2.09038 2.09299 2.66867 2.07334 2.67190 2.07332 2.08838 2.11781 2.07943 2.08856 2.08773 2.11766 2.67388 2.07188 2.67186 2.07156 2.07093 1.98989 1.95432 1.94165 1.90833 1.93276 1.88305 1.99159 1.85039 1.89298 1.98555 1.88668 1.90830 1.91232 1.90625 1.86059 1.99924 1.90164 1.90604 1.89410 1.90025 1.85733 2.00356 1.86280 1.94872 1.87080 1.91153 1.85842 1.96346 1.92398 1.87713 1.92694 1.88484 1.88473 2.11171 2.11053 2.06059 1.93501 1.95621 1.92911 1.87758 1.87991 1.88320 1.94152 1.94340 1.93041 1.88523 1.88056 1.88023 2.11230 2.08894 2.08194 2.11518 2.07810 2.08990 1.90806 1.96875 1.92854 1.88679 1.88851 1.88106 1.90930 1.91851 1.98297 1.88454 1.87976 1.88597 2.09916 2.09144 2.09259 2.09624 2.09186 2.09508 2.08286 2.09980 2.10052 -1.34780 2.86530 0.84108 2.71158 0.64149 -1.38273 3.10539 -1.07804 1.02879 -0.94747 1.15229 -3.02407 -3.05579 -0.98934 1.12633 0.97798 3.04443 -1.12308 3.00650 0.87841 -1.14054 -1.06762 3.08748 1.06853 1.00157 -1.12652 3.13772 -2.73973 -0.67415 1.33532 1.36831 -2.84929 -0.83982 -0.71389 1.35169 -2.92203 -1.13584 1.97671 1.02621 -2.14442 3.08418 -0.08645 3.06070 0.93582 -1.08626 -1.10865 3.04965 1.02757 0.92343 -1.20146 3.05964 1.09812 -3.02603 -0.97524 -3.05605 -0.89703 1.15377 -1.04123 1.11780 -3.11459 3.10846 -1.07635 1.02510 0.95108 3.04945 -1.13227 -1.10588 0.99249 3.09395 0.99561 3.09948 -1.09363 -3.10752 -1.00364 1.08643 -1.05049 1.05339 -3.13973 3.12274 -0.01961 0.00938 -3.13297 -3.12125 0.02475 -0.00787 3.13813 -0.00464 3.13821 3.13771 -0.00263 0.00159 -3.14004 3.13875 -0.00288 -0.00187 -3.14102 3.13847 -0.00068 0.00338 -3.14066 -3.13818 0.00097 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000053 0.000012 0.006592 0.001253 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.212117e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 1 1 1 2 2 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 13 13 14 14 15 15 16 5 12 13 3 5 7 17 4 18 19 6 20 21 22 23 8 9 24 10 11 25 26 27 28 29 30 14 31 15 32 33 34 35 36 37 38 16 39 16 40 41 1.4829 1.4786 1.4785 1.5626 1.5595 1.5304 1.1084 1.5446 1.1081 1.1105 1.5527 1.1079 1.1115 1.1071 1.122 1.5483 1.5474 1.1118 1.4208 1.4187 1.1062 1.105 1.1078 1.1061 1.1062 1.1076 1.4122 1.0972 1.4139 1.0972 1.1051 1.1206 1.1004 1.1052 1.1048 1.1206 1.415 1.0964 1.4139 1.0962 1.0959 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 5 12 3 3 3 5 5 7 2 2 2 4 4 18 3 3 3 6 6 20 1 1 1 2 2 22 4 4 4 8 8 9 2 2 10 6 6 6 25 25 26 6 6 6 28 28 29 7 7 14 7 7 15 1 1 1 33 33 34 1 1 1 36 36 37 10 10 16 11 11 16 14 14 15 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 12 13 13 5 7 17 7 17 17 4 18 19 18 19 19 6 20 21 20 21 21 2 22 23 22 23 23 8 9 24 9 24 24 10 11 11 25 26 27 26 27 27 28 29 30 29 30 30 14 31 31 15 32 32 33 34 35 34 35 35 36 37 38 37 38 38 16 39 39 16 40 40 15 41 41 113.9995 111.9634 111.2516 109.3405 110.7267 107.8865 114.1192 106.0283 108.4575 113.772 108.0958 109.3328 109.5638 109.222 106.6045 114.541 108.9651 109.206 108.5272 108.8754 106.4155 114.7925 106.7288 111.6473 107.2022 109.5279 106.4734 112.4953 110.2405 107.5511 110.406 107.9919 107.9863 121.0013 120.9157 118.0626 110.8675 112.0828 110.5323 107.5774 107.7115 107.8967 111.2413 111.349 110.6054 108.0126 107.7496 107.7285 121.0254 119.6884 119.2862 121.1921 119.0676 119.7399 109.3265 112.8038 110.493 108.1134 108.1973 107.7734 109.3959 109.9165 113.6158 107.972 107.7094 108.0601 120.275 119.8297 119.8954 120.1047 119.8558 120.0395 119.3381 120.3098 120.352 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 12 12 12 13 13 13 5 5 5 13 13 13 5 5 5 12 12 12 5 5 5 7 7 7 17 17 17 3 3 3 7 7 7 17 17 17 3 3 5 5 17 17 2 2 2 18 18 18 19 19 19 3 3 3 20 20 20 21 21 21 4 4 4 9 9 9 24 24 24 4 4 4 8 8 8 24 24 24 2 2 11 11 2 2 10 10 7 7 31 31 7 7 32 32 10 10 39 39 11 11 40 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 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 10 10 10 10 11 11 11 11 14 14 14 14 15 15 15 5 5 5 5 5 5 12 12 12 12 12 12 13 13 13 13 13 13 3 3 3 3 3 3 3 3 3 5 5 5 5 5 5 5 5 5 7 7 7 7 7 7 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 2 22 23 2 22 23 33 34 35 33 34 35 36 37 38 36 37 38 4 18 19 4 18 19 4 18 19 1 22 23 1 22 23 1 22 23 10 11 10 11 10 11 6 20 21 6 20 21 6 20 21 8 9 24 8 9 24 8 9 24 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 14 31 14 31 15 32 15 32 16 39 16 39 16 40 16 40 15 41 15 41 14 41 14 -77.166 164.214 48.2468 155.4349 36.815 -79.1523 177.9277 -61.7506 58.9562 -54.3069 66.0148 -173.2784 -175.1167 -56.7254 64.492 56.0248 174.4162 -64.3664 172.3006 50.3712 -65.3023 -61.1256 176.9451 61.2716 57.4178 -64.5115 179.8149 -156.9538 -38.6 76.536 78.4283 -163.2179 -48.0819 -40.8819 77.4719 -167.3921 -65.1711 113.157 58.7043 -122.9676 176.6326 -5.0393 175.3558 53.6023 -62.256 -63.5312 174.7154 58.8571 52.8976 -68.8558 175.2859 62.8871 -173.4076 -55.9041 -175.1204 -51.4151 66.0884 -59.6804 64.0248 -178.4717 178.1234 -61.6488 58.7539 54.5101 174.7379 -64.8594 -63.3439 56.8839 177.2866 57.0514 177.5915 -62.6565 -178.0401 -57.5 62.252 -60.1827 60.3575 -179.8906 178.9085 -1.1331 0.5339 -179.5077 -178.8206 1.4251 -0.4446 179.8011 -0.267 179.8067 179.7745 -0.1517 0.087 -179.9158 179.8397 -0.1632 -0.1037 -179.9615 179.8226 -0.0352 0.1925 -179.9497 -179.8047 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 194.16719999999992 AuxInfo=1/0/N:8,9,12,13,16,14,15,10,11,4,3,5,6,7,2,1/E:(1,2)(3,4)(6,7)(8,9)/CRV:5.3,6.3,7.3,8.3,9.3,14.3/rA:41NCCCCCC3CCC3C3CCC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s3;s1s2;s4;s2;s6;s6;s7;s7;s1;s1;s10;s11;s14s15;s2;s3;s3;s4;s4;s5;s5;s6;s8;s8;s8;s9;s9;s9;s10;s11;s12;s12;s12;s13;s13;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.483759 0.000000 3.768636 1.544417 0.000000 4.940365 2.549768 1.533655 0.000000 1.501098 1.551724 2.538158 3.910166 0.000000 6.245043 3.930158 2.555323 1.543498 5.090212 0.000000 3.263288 1.514140 2.517780 3.034232 2.536296 4.453631 0.000000 6.510801 4.537463 3.157772 2.543088 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AuxInfo=1/0/N:8,9,12,13,16,14,15,10,11,4,3,5,6,7,2,1/E:(1,2)(3,4)(6,7)(8,9)/CRV:5.3,6.3,7.3,8.3,9.3,14.3/rA:41NCCCCCC3CCC3C3CCC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s3;s1s2;s4;s2;s6;s6;s7;s7;s1;s1;s10;s11;s14s15;s2;s3;s3;s4;s4;s5;s5;s6;s8;s8;s8;s9;s9;s9;s10;s11;s12;s12;s12;s13;s13;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.563279 0.000000 3.863024 1.562637 0.000000 5.101638 2.602560 1.544558 0.000000 1.482871 1.559500 2.547158 3.947793 0.000000 6.431650 4.001910 2.605516 1.552698 5.151474 0.000000 3.299461 1.530403 2.544936 3.086846 2.593208 4.486615 0.000000 6.737280 4.620197 3.154959 2.578347 5.487604 1.548338 5.493149 0.000000 7.643491 5.136819 3.947838 2.543197 6.460193 1.547421 5.351886 2.542172 0.000000 4.021829 2.569165 3.170145 3.792547 3.180415 4.902550 1.420782 6.011004 5.789749 0.000000 4.019969 2.566281 3.595222 3.658754 3.712519 5.112521 1.418688 6.214503 5.640943 2.434699 0.000000 1.478566 3.236828 4.706583 5.816658 2.483664 7.226730 3.284360 7.776625 8.323119 3.777114 3.754348 0.000000 1.478540 3.827668 4.868323 6.222314 2.454593 7.413806 4.716468 7.474323 8.729564 5.292656 5.498446 2.440699 0.000000 5.147378 3.871089 4.464788 4.798956 4.511594 5.820061 2.466041 7.093190 6.449040 1.412230 2.816406 4.574105 6.434179 0.000000 5.148938 3.871668 4.778531 4.694674 4.904982 5.999002 2.467721 7.267665 6.315355 2.819724 1.413930 4.558494 6.607863 2.441657 0.000000 5.634279 4.388123 5.139585 5.190451 5.235636 6.320088 2.857888 7.666569 6.697453 2.451801 2.450269 4.923170 7.023009 1.414958 1.413906 0.000000 2.639219 1.108357 2.175815 2.807803 2.148256 4.284547 2.155144 4.774744 5.262962 3.460201 2.617349 3.407955 3.888421 4.620935 4.029482 4.854253 0.000000 3.931806 2.178372 1.108073 2.181671 2.677676 2.885605 3.487679 2.846123 4.321794 4.157212 4.505758 5.048708 4.659967 5.503827 5.774092 6.199010 2.513125 0.000000 4.272729 2.196387 1.110532 2.179079 2.821608 2.799302 2.795590 3.442805 4.197347 2.885153 4.040253 4.980513 5.194575 4.152124 5.027625 5.079602 3.094735 1.778877 0.000000 5.338997 2.790781 2.173807 1.107922 4.264607 2.175226 2.677398 3.518575 2.695012 3.266305 3.026367 5.781793 6.608361 4.025018 3.833102 4.275159 3.074157 3.089555 2.561016 0.000000 5.157661 2.863787 2.179559 1.111458 4.229350 2.182387 3.496523 2.811914 2.804865 4.494011 3.766323 5.944383 6.263726 5.478813 4.899047 5.657426 2.617730 2.502461 3.094249 1.777309 0.000000 2.090368 2.163076 2.576132 4.034834 1.107090 5.034177 3.494235 5.055412 6.443228 4.081448 4.613173 3.388035 2.494073 5.465638 5.876919 6.238345 2.563884 2.236714 2.891764 4.610077 4.259679 0.000000 2.164534 2.204676 2.928942 4.376124 1.121971 5.438235 2.765658 5.876578 6.783522 2.807825 4.053785 2.697524 2.903591 4.091437 5.033738 5.054375 3.077611 3.204635 2.762834 4.569884 4.889558 1.785756 0.000000 6.627932 4.232854 2.797554 2.165216 5.239615 1.111814 4.560728 2.167243 2.166368 4.646770 5.361229 7.337968 7.582108 5.503857 6.121092 6.190302 4.766404 3.192783 2.532546 2.518377 3.083849 5.165818 5.293909 0.000000 7.793629 5.674961 4.168066 3.538945 6.505666 2.200299 6.473839 1.106225 2.755202 6.871248 7.195606 8.828955 8.484747 7.884088 8.169600 8.488235 5.873780 3.872272 4.285760 4.354705 3.814399 6.040163 6.811620 2.535902 0.000000 6.190205 4.330582 2.864173 2.872964 4.908618 2.214708 5.382662 1.105040 3.517977 5.838231 6.296519 7.318289 6.768393 7.041656 7.428135 7.762599 4.592472 2.280061 3.040686 3.890504 3.214846 4.328363 5.245375 2.511317 1.784146 0.000000 6.778692 4.779735 3.514223 2.827717 5.691488 2.197216 5.749094 1.107797 2.834412 6.490742 6.300700 7.876923 7.500564 7.588557 7.427028 8.014122 4.674777 3.090857 4.085923 3.808815 2.606555 5.226904 6.265948 3.096094 1.787899 1.789050 0.000000 7.756011 5.198355 4.202486 2.780005 6.608531 2.204165 5.089280 3.514219 1.106147 5.408749 5.232954 8.247745 8.956303 5.848924 5.685931 5.984460 5.387323 4.815246 4.362376 2.466385 3.155953 6.770326 6.850340 2.519507 3.777629 4.382745 3.851215 0.000000 8.583225 6.098057 4.790812 3.517062 7.336057 2.205561 6.345730 2.785818 1.106196 6.661586 6.703367 9.305362 9.602471 7.291298 7.329365 7.610935 6.279445 5.054899 4.898126 3.720688 3.824363 7.234776 7.593339 2.522288 2.538452 3.789461 3.188611 1.789967 0.000000 7.748812 5.332021 4.292715 2.816417 6.701500 2.197165 5.641340 2.813473 1.107565 6.307756 5.745000 8.474330 8.832369 6.993383 6.488904 7.081995 5.224503 4.556678 4.785971 3.053705 2.622468 6.656600 7.186847 3.096193 3.114263 3.850551 2.654667 1.788083 1.787882 0.000000 4.069555 2.775793 3.071838 3.969116 3.012419 4.870585 2.183238 5.832012 5.947165 1.097168 3.433279 4.014480 5.134040 2.171191 3.916822 3.440264 3.834869 3.927078 2.462705 3.664370 4.805222 3.755853 2.335161 4.441815 6.631754 5.500979 6.438773 5.688222 6.712332 6.575121 0.000000 4.054808 2.760950 3.809437 3.734196 3.941456 5.238884 2.174600 6.196347 5.686170 3.429450 1.097160 3.966705 5.495076 3.913562 2.177625 3.442261 2.347044 4.553270 4.503854 3.274765 3.511553 4.717338 4.541614 5.697502 7.215742 6.333007 6.087667 5.388590 6.786225 5.579173 4.341615 0.000000 2.118733 4.175747 5.673977 6.728780 3.425823 8.175488 4.243057 8.670693 9.231172 4.809027 4.469790 1.105133 2.641028 5.482900 5.190249 5.659051 4.134278 5.937809 6.031574 6.703858 6.732973 4.193645 3.733483 8.357385 9.742961 8.217011 8.678022 9.164370 10.238444 9.297189 5.103585 4.510772 0.000000 2.174026 3.741791 5.064348 6.275489 2.812115 7.588450 3.632997 8.177380 8.745336 3.697998 4.297388 1.120645 2.793822 4.395167 4.914555 4.960916 4.181489 5.448448 5.096105 6.196613 6.576093 3.706289 2.559153 7.537766 9.179121 7.650816 8.413185 8.629312 9.675324 9.023507 3.736602 4.736694 1.802010 0.000000 2.129869 2.937005 4.467279 5.352215 2.746502 6.823089 2.568763 7.553348 7.773124 3.169771 2.767849 1.100430 3.397271 3.810131 3.485421 3.951419 3.072966 5.009975 4.786884 5.142932 5.470559 3.783200 2.994009 6.961831 8.607209 7.240256 7.647515 7.585465 8.793119 7.909741 3.687213 3.047187 1.786569 1.794342 0.000000 2.119658 4.629598 5.798065 7.062260 3.405290 8.326764 5.394461 8.397196 9.577294 6.042268 5.964950 2.655500 1.105221 7.071395 7.008230 7.510198 4.515643 5.612139 6.201809 7.399871 6.994722 3.530114 3.887611 8.559799 9.430362 7.736139 8.333563 9.778676 10.490342 9.601210 6.004852 5.854118 2.373219 3.116298 3.639282 0.000000 2.125925 3.968981 4.739977 6.075805 2.684858 7.144147 5.133021 6.985296 8.494193 5.807132 5.962942 3.397507 1.104799 7.060811 7.192610 7.679551 3.930250 4.288159 5.145847 6.633714 6.043439 2.258066 3.294162 7.381357 7.964856 6.223941 6.944045 8.853592 9.312560 8.547090 5.583074 5.857061 3.636425 3.815475 4.231021 1.787626 0.000000 2.183858 4.334523 5.258180 6.716473 2.808913 7.813889 5.097705 7.891753 9.198856 5.385230 6.031009 2.792338 1.120580 6.483627 7.033485 7.236700 4.638149 5.082915 5.356278 7.071813 6.918668 2.849736 2.822915 7.829745 8.846237 7.103710 8.054477 9.400784 10.018915 9.419942 5.045596 6.203302 3.081292 2.682033 3.820678 1.797410 1.801079 0.000000 5.896894 4.744560 5.186974 5.570730 5.211433 6.412529 3.455234 7.686538 7.045486 2.176436 3.912791 5.277476 7.070120 1.096400 3.436639 2.179598 5.590840 6.197606 4.672852 4.817105 6.358605 6.119637 4.593998 5.927020 8.391027 7.593678 8.292691 6.412945 7.784783 7.703641 2.494316 5.009950 6.185821 4.890609 4.633345 7.737393 7.723367 6.962689 0.000000 5.897573 4.743493 5.660817 5.408383 5.807899 6.697889 3.456034 7.969348 6.825022 3.915930 2.178107 5.252173 7.347949 3.437619 1.096231 2.180061 4.704279 6.618726 6.010102 4.528384 5.449715 6.762121 6.032607 6.919589 8.861914 8.220927 8.025980 6.145339 7.846719 6.871430 5.013041 2.503916 5.717673 5.702164 4.152416 7.632703 7.934863 7.853891 4.346208 0.000000 6.638452 5.484008 6.196529 6.161098 6.298603 7.203168 3.953783 8.607470 7.444632 3.445689 3.445253 5.806781 8.001727 2.183630 2.183133 1.095896 5.929044 7.268744 6.085535 5.184429 6.628354 7.313440 6.060952 7.027098 9.378394 8.751881 8.973671 6.630562 8.309577 7.844442 4.344477 4.349369 6.459357 5.771223 4.837035 8.437597 8.706921 8.173448 2.514498 2.516446 0.000000 0.5436163 0.3301826 0.2277310 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= 205 205 205 205 205 MxSgAt= 41 MxSgA2= 41. 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 41 41 41 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 41 41 41 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 41 41 41 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 41 41 41 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 41 41 41 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 41 41 41 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 41 41 41 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 41 41 41 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= 10731 NPrTT= 53061 LenC2= 9814 LenP2D= 31569. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 210 RedAO= T EigKep= 9.43D-04 NBF= 210 NBsUse= 210 1.00D-06 EigRej= -1.00D+00 NBFU= 210 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= 205 205 205 205 205 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 0 1 -640.046202962087 -640.175174429137 -0.128971467050 -640.414410752240 -0.239236323103 -640.412399702123 0.002011050117 -640.418294079990 -0.005894377868 -640.418631528600 -0.000337448610 -640.418644968253 -0.000013439653 -640.418806855550 -0.000161887297 -640.418807261510 -0.000000405960 -640.418807273928 -0.000000012418 -640.418807365853 -0.000000091924 -640.418807370722 -0.000000004870 -640.418807371229 -0.000000000506 -640.418807371270 -0.000000000041 -640.418807371250 0.000000000020 -640.418807371 15 6.373896195975e+02 -3.719785286333e+03 1.325019579266e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=250283402. IVT= 153452 IEndB= 153452 NGot= 939524096 MDV= 693937555 LenX= 693937555 LenY= 693893014 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= 22155 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 1.43273074e-01 -1.83227580e-01 -3.02289095e-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 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.010327198 -0.010967571 -0.016669307 -0.002734381 -0.005680155 0.000545696 -0.001294424 -0.000943434 0.003580279 -0.001136972 0.002425665 -0.007140423 -0.003512153 -0.003244405 0.015467201 -0.000737704 0.004549162 -0.000448310 -0.004355005 -0.006671751 0.009592775 0.000335934 -0.002847544 -0.002940869 -0.001946181 0.000226015 -0.003607205 -0.000941434 -0.002903423 -0.003464565 -0.000943878 0.000698922 0.003281200 -0.009439278 0.005804148 0.014324344 -0.006358450 0.006129712 0.013358399 0.001223242 0.001158962 -0.010074862 0.002116495 0.007856280 0.007664075 0.003571666 0.009250978 -0.002109964 0.002354020 -0.001295435 -0.010701005 0.001438438 -0.000210308 0.000928962 -0.000180992 0.001206420 -0.002204861 -0.000189539 -0.000734374 -0.001387731 -0.000880027 -0.001795757 0.002725066 0.002481165 0.001359965 0.003815184 0.003827561 0.001053044 -0.002601713 0.000701036 0.000675062 0.004412867 -0.006693585 -0.001295958 -0.003260129 0.002734519 -0.006059702 -0.001314062 -0.000225476 0.002351303 0.007618649 0.003295195 0.005807539 -0.002980014 -0.007331110 -0.001063111 -0.002667796 0.000375113 0.000091275 0.007955649 -0.001086671 -0.004062050 -0.004401187 -0.001108763 -0.002150951 0.004505544 0.002269267 -0.001461217 0.001807949 0.003880628 -0.003829735 -0.010075297 0.000922214 -0.001219801 -0.000860416 0.002400144 0.000129394 0.001275380 -0.001992562 -0.001486376 -0.000930334 0.004758823 -0.001509623 -0.009974199 0.000890950 0.001416300 -0.005164780 0.001100209 0.003779401 0.003637998 0.002084770 0.005463134 -0.001518187 0.016669307 0.004970479 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -640.425965453526 -640.426001097178 -0.000035643651 -640.426277308185 -0.000276211008 -640.426277382441 -0.000000074256 -640.426277970108 -0.000000587667 -640.426277984804 -0.000000014695 -640.426278012918 -0.000000028114 -640.426278013131 -0.000000000213 -640.426278013261 -0.000000000130 -640.426278013267 -0.000000000007 -640.426278013 10 6.368490630055e+02 -3.699089220666e+03 1.314945447382e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=250283402. IVT= 153452 IEndB= 153452 NGot= 939524096 MDV= 693937555 LenX= 693937555 LenY= 693893014 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= 22155 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. (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 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 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 -13.981509 -9.912585 -9.907086 -9.904338 -9.902505 -9.901968 -9.901035 -9.898519 -9.898294 -9.897635 -9.896254 -9.893798 -9.887299 -9.879005 -9.874355 -9.873253 -0.826689 -0.773241 -0.731401 -0.707743 -0.668675 -0.658753 -0.636791 -0.625678 -0.604651 -0.581168 -0.546944 -0.538098 -0.520804 -0.496796 -0.488287 -0.454581 -0.422684 -0.414968 -0.408406 -0.397928 -0.394788 -0.389580 -0.378154 -0.375407 -0.366878 -0.364548 -0.344943 -0.339111 -0.333665 -0.329305 -0.324562 -0.319221 -0.316172 -0.311097 -0.301387 -0.298102 -0.295446 -0.281488 -0.276823 -0.267969 -0.265030 -0.261981 -0.221418 -0.211319 -0.152655 -0.034648 -0.031639 0.079103 0.088022 0.090460 0.096554 0.102696 0.105115 0.114468 0.116263 0.118332 0.119449 0.130160 0.132442 0.140311 0.143254 0.145215 0.150688 0.158327 0.160989 0.165085 0.169030 0.172092 0.179914 0.181102 0.187873 0.190365 0.191056 0.200611 0.201756 0.207527 0.208574 0.218488 0.220981 0.230573 0.238587 0.243979 0.250139 0.255675 0.265342 0.267385 0.274770 0.281975 0.285149 0.293396 0.301612 0.302555 0.315839 0.320329 0.329001 0.335651 0.339086 0.344910 0.353074 0.359902 0.362143 0.364277 0.374414 0.377560 0.385639 0.394273 0.398178 0.406005 0.407904 0.424614 0.426656 0.435345 0.448869 0.461050 0.466297 0.477634 0.487655 0.492787 0.503214 0.505293 0.520208 0.535321 0.542931 0.553689 0.579053 0.602306 0.613208 0.622385 0.645597 0.657802 0.673337 0.676698 0.705587 0.718656 0.759149 0.815518 0.829821 0.847171 0.870440 0.889576 0.904174 0.917634 0.938323 0.940969 0.959832 0.965936 0.985668 1.000849 1.012168 1.033074 1.043144 1.044516 1.056653 1.058898 1.069719 1.084761 1.092804 1.105160 1.119699 1.139254 1.144250 1.154020 1.157610 1.166890 1.204637 1.210443 1.230105 1.246774 1.263655 1.291392 1.304340 1.325610 1.346818 1.381346 1.418814 1.491596 1.512974 1.580985 22.339434 22.502176 22.545991 22.549519 22.564471 22.610772 22.615330 22.636789 22.643484 22.663309 22.676738 22.690336 22.703566 22.722665 22.787067 31.542427 22.050005 15.958001 15.955154 15.957700 15.955710 15.955858 15.956316 15.957102 15.954591 15.954744 15.957272 15.960093 15.957476 15.957540 15.957266 15.957077 1.736503 1.472517 1.351596 1.408715 1.598624 1.558156 1.436506 1.425236 1.337203 1.485759 1.383933 1.446950 1.492303 1.297923 1.249310 0.998809 1.110830 1.145802 1.034005 1.208963 1.112797 1.171545 1.094690 1.067602 1.171222 1.124091 1.075340 1.118520 1.083064 1.042448 1.190854 1.113061 1.135166 1.266018 1.208541 1.191774 1.203954 1.385201 1.234471 1.137227 1.306339 1.373766 1.131242 1.243292 1.660759 1.367601 1.421486 1.128535 1.142351 1.137544 1.456250 1.121191 1.228136 1.260790 1.093406 1.136419 1.151720 1.165649 1.198243 1.093567 1.194968 1.063583 1.060227 0.989590 1.266238 1.049501 1.196336 1.114994 1.215112 1.113181 1.254731 1.179165 1.156555 1.095908 1.151592 1.324703 0.980388 1.192339 1.115015 1.463461 1.413302 1.376521 1.439020 1.233724 1.397570 1.647341 1.258042 1.592303 1.296825 1.593935 1.533405 1.317053 1.313782 1.337783 1.461046 1.357252 1.622611 1.500159 1.969722 1.732405 1.564172 1.521470 1.711428 1.835774 2.006784 2.428963 1.732395 1.850078 1.903633 1.907939 1.712283 2.045722 1.944019 2.040255 2.342916 2.134786 2.041949 1.955939 1.890829 2.073634 2.256568 2.127662 2.121292 1.963884 1.663732 2.135998 1.970371 3.012964 2.328300 2.015344 2.187004 1.897978 2.346249 2.591473 2.538218 2.345880 2.137761 2.908757 2.814837 2.808603 2.924603 2.942237 2.858299 2.954408 3.106457 2.974201 2.987687 2.758117 2.795870 2.908460 2.749409 2.921566 2.674287 2.811650 2.678164 2.680359 2.718368 2.814922 2.731897 2.593070 2.637077 2.814269 2.627751 2.555255 2.594713 2.604548 2.653364 2.659025 2.688381 2.732384 2.763503 2.730493 2.761882 2.813906 2.901344 3.475447 3.273316 3.198800 57.407158 57.413108 57.397181 57.403111 57.405784 57.401500 57.402238 57.404300 57.397823 57.396047 57.390866 57.390440 57.385123 57.382061 57.383256 80.071726 6.368490630055D+02 PT2597.100S 2017-11-25T08:57:33.000+01:00 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 N C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H -0.086120 -0.164786 -0.494617 -0.378723 -0.461211 -0.004170 0.508053 -0.727060 -0.739460 -0.413584 -0.455404 -0.645693 -0.636146 -0.254999 -0.234302 -0.253132 0.227389 0.206277 0.204207 0.222299 0.188296 0.209261 0.214269 0.188831 0.215043 0.218656 0.209831 0.220615 0.212684 0.210865 0.236560 0.248508 0.219881 0.195542 0.264004 0.221814 0.227982 0.196285 0.225139 0.227118 0.230002 0.00000 -9.90197 -9.90104 -9.89852 -9.89829 -9.89764 -9.89625 -9.89380 -9.88730 -9.87900 -9.87436 -9.87325 -0.82669 -0.77324 -0.73140 -0.70774 -0.66867 -0.65875 -0.63679 -0.62568 -0.60465 -0.58117 -0.54694 -0.53810 -0.52080 -0.49680 -0.48829 -0.45458 -0.42268 -0.41497 -0.40841 -0.39793 -0.39479 -0.38958 -0.37815 -0.37541 -0.36688 -0.36455 -0.34494 -0.33911 -0.33367 -0.32931 -0.32456 -0.31922 -0.31617 -0.31110 -0.30139 -0.29810 -0.29545 -0.28149 -0.27682 -0.26797 -0.26503 -0.26198 -0.22142 -0.21132 -0.15265 -0.03465 -0.03164 0.07910 0.08802 0.09046 0.09655 0.10270 0.10512 0.11447 0.11626 0.11833 0.11945 0.13016 0.13244 0.14031 0.14325 0.14521 0.15069 0.15833 0.16099 0.16509 0.16903 0.17209 0.17991 0.18110 0.18787 0.19037 0.19106 0.20061 0.20176 0.20753 0.20857 0.21849 0.22098 0.23057 0.23859 0.24398 0.25014 0.25567 0.26534 0.26739 0.27477 0.28198 0.28515 0.29340 0.30161 0.30255 0.31584 0.32033 0.32900 0.33565 0.33909 0.34491 0.35307 0.35990 0.36214 0.36428 0.37441 0.37756 0.38564 0.39427 0.39818 0.40600 0.40790 0.42461 0.42666 0.43534 0.44887 0.46105 0.46630 0.47763 0.48766 0.49279 0.50321 0.50529 0.52021 0.53532 0.54293 0.55369 0.57905 0.60231 0.61321 0.62238 0.64560 0.65780 0.67334 0.67670 0.70559 0.71866 0.75915 0.81552 0.82982 0.84717 0.87044 0.88958 0.90417 0.91763 0.93832 0.94097 0.95983 0.96594 0.98567 1.00085 1.01217 1.03307 1.04314 1.04452 1.05665 1.05890 1.06972 1.08476 1.09280 1.10516 1.11970 1.13925 1.14425 1.15402 1.15761 1.16689 1.20464 1.21044 1.23011 1.24677 1.26366 1.29139 1.30434 1.32561 1.34682 1.38135 1.41881 1.49160 1.51297 1.58099 22.33943 22.50218 22.54599 22.54952 22.56447 22.61077 22.61533 22.63679 22.64348 22.66331 22.67674 22.69034 22.70357 22.72267 22.78707 31.54243 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 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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 H 1S 2S 18 H 1S 2S 19 H 1S 2S 20 H 1S 2S 21 H 1S 2S 22 H 1S 2S 23 H 1S 2S 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 39 H 1S 2S 40 H 1S 2S 41 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 1 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 H 1S|2S|18 H 1S|2S|19 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|39 H 1S|2S|40 H 1S|2S|41 H 1S|2S 1.15940 0.83092 0.83264 0.73067 0.92847 0.90290 1.17645 0.09458 0.04561 0.37600 1.17431 0.81396 0.72054 0.63116 0.85412 0.85412 0.91691 0.04950 -0.00705 0.18138 1.17432 0.81414 0.72219 0.65365 0.85160 0.89610 0.90070 0.07809 0.17880 0.18047 1.17431 0.81417 0.72293 0.63499 0.86280 0.89750 0.89313 0.04959 0.15787 0.16857 1.17437 0.81410 0.72931 0.66203 0.83908 0.90690 0.86963 0.08801 0.15012 0.18755 1.17436 0.81417 0.72455 0.54581 0.85495 0.84746 0.89668 0.02517 -0.01056 0.14197 1.17443 0.81391 0.75653 0.41490 0.76669 0.89569 0.90947 0.18779 -0.12211 -0.29193 1.17427 0.81434 0.72541 0.69320 0.90621 0.88326 0.90969 0.21676 0.16638 0.22895 1.17428 0.81430 0.72521 0.69693 0.89860 0.88889 0.91004 0.20522 0.18238 0.22449 1.17437 0.81403 0.74977 0.54744 0.78414 0.91161 0.92117 0.22564 0.14267 0.13086 1.17439 0.81403 0.75191 0.54998 0.78062 0.90184 0.92993 0.23672 0.08649 0.21822 1.17429 0.81430 0.73305 0.70023 0.85365 0.89785 0.92567 0.14933 0.17312 0.20675 1.17431 0.81431 0.73475 0.68423 0.92931 0.80806 0.93278 0.22208 0.10331 0.21737 1.17442 0.81411 0.75402 0.53577 0.77126 0.89933 0.93260 0.22744 0.00381 0.13611 1.17442 0.81414 0.75480 0.52573 0.77053 0.91125 0.92077 0.22298 0.10547 0.03048 1.17442 0.81417 0.75376 0.53892 0.77939 0.91602 0.90835 0.23773 0.13290 -0.00775 0.51342 0.26779 0.51602 0.28050 0.51403 0.29081 0.51374 0.26509 0.51245 0.30600 0.51660 0.27951 0.51193 0.30075 0.51645 0.29172 0.51122 0.27869 0.51341 0.26610 0.50988 0.28606 0.51144 0.27216 0.51147 0.27842 0.51023 0.28456 0.51704 0.25456 0.51627 0.24609 0.51371 0.27396 0.50822 0.30778 0.51449 0.22280 0.51337 0.26648 0.51424 0.26174 0.50926 0.30488 0.51655 0.26261 0.51634 0.26028 0.51607 0.25850 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 N C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H -0.077648 -0.188953 -0.450073 -0.375852 -0.421114 -0.014573 0.494638 -0.718465 -0.720331 -0.401694 -0.444138 -0.628231 -0.620515 -0.248870 -0.230574 -0.247914 0.218788 0.203477 0.195163 0.221176 0.181556 0.203883 0.187327 0.191830 0.210086 0.220495 0.204059 0.216396 0.210114 0.205211 0.228398 0.237637 0.212334 0.183997 0.262710 0.220157 0.224012 0.185860 0.220837 0.223379 0.225428 0.00000 5.70892755e-02 -1.67565141e-01 -2.66029482e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.1451 -0.4259 -0.6762 0.8122 -101.4742 -95.6560 -98.3208 1.0731 -1.1666 1.3245 -2.9905 2.8277 0.1629 1.0731 -1.1666 1.3245 32.5112 49.0700 -10.5031 29.9569 6.2135 0.5612 10.9705 24.8924 0.8125 -2.2224 -4134.3531 -2196.4497 -541.6053 37.5722 -30.0972 120.0640 184.1498 -109.7784 204.5269 -1068.0616 -769.4346 -467.8193 50.2656 -27.8569 45.0196 0 -640.426278 6.341E-9 2.035E-5 -2.2234006,2.1023248,0.1210758,0.7977936,-0.8673558,0.9847401 C01 [X(C15H25N1)] 0.0570893 -0.1675651 -0.2660295 @ -0.000015893 -0.000010262 -0.000043976 -0.000069023 0.000050106 -0.000070119 0.000058752 -0.000009849 0.000005159 -0.000023012 -0.000005869 0.000017929 0.000066914 -0.000010572 0.000006679 0.000018245 0.000003692 0.000011894 0.000014470 0.000016052 0.000071229 -0.000018432 -0.000019177 -0.000001074 -0.000011166 0.000010014 -0.000007621 0.000001717 0.000023984 -0.000025055 0.000003825 -0.000006545 -0.000027067 -0.000019845 0.000016406 0.000048418 -0.000026952 0.000046703 0.000040857 -0.000006801 -0.000016728 0.000010128 0.000000820 -0.000017250 -0.000021705 -0.000008155 -0.000011595 0.000025498 -0.000000436 -0.000008656 0.000023433 0.000001996 0.000004845 -0.000013921 -0.000002317 0.000005042 0.000003984 0.000000844 -0.000011633 -0.000001645 0.000002825 0.000006186 -0.000010584 -0.000021113 0.000001363 0.000002403 -0.000023204 0.000008736 0.000013286 -0.000000598 0.000003932 -0.000010736 0.000014955 0.000001098 0.000005205 -0.000013171 0.000018213 0.000000773 -0.000000508 0.000005984 -0.000016964 -0.000004334 -0.000015990 0.000010067 0.000018499 0.000000715 0.000011743 0.000004875 0.000000227 -0.000013191 0.000001886 0.000012463 0.000011004 0.000002968 -0.000002445 -0.000007948 -0.000000691 -0.000014383 -0.000017053 0.000019456 -0.000001667 -0.000011767 0.000010220 -0.000021551 -0.000005507 0.000003179 -0.000010030 -0.000015331 0.000012360 -0.000003049 -0.000018674 0.000010594 -0.000016879 -0.000007518 -0.000001966 0.000000908 0.000018014 -0.000001482 -0.000012363 -0.000002527 -0.000000304 -0.000010173 0.000012280 194.16719999999992 AuxInfo=1/0/N:8,9,12,13,16,14,15,10,11,4,3,5,6,7,2,1/E:(1,2)(3,4)(6,7)(8,9)/CRV:5.3,6.3,7.3,8.3,9.3,14.3/rA:41NCCCCCC3CCC3C3CCC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s3;s1s2;s4;s2;s6;s6;s7;s7;s1;s1;s10;s11;s14s15;s2;s3;s3;s4;s4;s5;s5;s6;s8;s8;s8;s9;s9;s9;s10;s11;s12;s12;s12;s13;s13;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2035 CBGUSER 000214395 EM64L-G09RevD.01 25-Nov-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 117 C1[X(C15H25N)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 194.16719999999992 0 1 AuxInfo=1/0/N:8,9,12,13,16,14,15,10,11,4,3,5,6,7,2,1/E:(1,2)(3,4)(6,7)(8,9)/CRV:5.3,6.3,7.3,8.3,9.3,14.3/rA:41NCCCCCC3CCC3C3CCC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s3;s1s2;s4;s2;s6;s6;s7;s7;s1;s1;s10;s11;s14s15;s2;s3;s3;s4;s4;s5;s5;s6;s8;s8;s8;s9;s9;s9;s10;s11;s12;s12;s12;s13;s13;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-7285.inp" -scrdir="/scratch/" chk=000214395-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 000214395 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 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 (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| 0.000132 0.000045 0.116195 0.027009 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -9.262635e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1106.8684267124 210 484 210 61 61 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 41 41 41 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 0 194.16719999999992 AuxInfo=1/0/N:8,9,12,13,16,14,15,10,11,4,3,5,6,7,2,1/E:(1,2)(3,4)(6,7)(8,9)/CRV:5.3,6.3,7.3,8.3,9.3,14.3/rA:41NCCCCCC3CCC3C3CCC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s3;s1s2;s4;s2;s6;s6;s7;s7;s1;s1;s10;s11;s14s15;s2;s3;s3;s4;s4;s5;s5;s6;s8;s8;s8;s9;s9;s9;s10;s11;s12;s12;s12;s13;s13;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.563278 0.000000 3.863024 1.562638 0.000000 5.101637 2.602560 1.544558 0.000000 1.482871 1.559500 2.547157 3.947792 0.000000 6.431650 4.001910 2.605516 1.552698 5.151474 0.000000 3.299461 1.530403 2.544936 3.086846 2.593207 4.486615 0.000000 6.737280 4.620196 3.154959 2.578347 5.487604 1.548338 5.493149 0.000000 7.643491 5.136819 3.947837 2.543197 6.460192 1.547421 5.351885 2.542173 0.000000 4.021830 2.569166 3.170145 3.792547 3.180415 4.902551 1.420783 6.011004 5.789749 0.000000 4.019968 2.566280 3.595222 3.658754 3.712519 5.112521 1.418687 6.214503 5.640942 2.434699 0.000000 1.478565 3.236828 4.706583 5.816658 2.483664 7.226730 3.284360 7.776624 8.323118 3.777113 3.754347 0.000000 1.478540 3.827668 4.868323 6.222314 2.454594 7.413807 4.716468 7.474323 8.729564 5.292656 5.498446 2.440699 0.000000 5.147378 3.871090 4.464788 4.798957 4.511595 5.820061 2.466042 7.093190 6.449040 1.412229 2.816405 4.574105 6.434179 0.000000 5.148939 3.871668 4.778532 4.694674 4.904982 5.999003 2.467721 7.267665 6.315355 2.819724 1.413931 4.558494 6.607864 2.441657 0.000000 5.634279 4.388123 5.139585 5.190451 5.235635 6.320089 2.857888 7.666569 6.697452 2.451801 2.450270 4.923170 7.023009 1.414957 1.413906 0.000000 2.639219 1.108356 2.175815 2.807803 2.148256 4.284547 2.155145 4.774743 5.262962 3.460202 2.617350 3.407955 3.888421 4.620935 4.029482 4.854254 0.000000 3.931806 2.178373 1.108074 2.181671 2.677676 2.885605 3.487680 2.846123 4.321794 4.157213 4.505759 5.048708 4.659967 5.503828 5.774093 6.199011 2.513125 0.000000 4.272729 2.196387 1.110532 2.179079 2.821608 2.799302 2.795590 3.442804 4.197346 2.885154 4.040253 4.980512 5.194576 4.152125 5.027625 5.079602 3.094735 1.778877 0.000000 5.338997 2.790781 2.173807 1.107922 4.264607 2.175226 2.677398 3.518575 2.695012 3.266305 3.026367 5.781792 6.608361 4.025018 3.833102 4.275159 3.074157 3.089555 2.561016 0.000000 5.157661 2.863787 2.179559 1.111458 4.229349 2.182387 3.496523 2.811914 2.804865 4.494011 3.766324 5.944383 6.263726 5.478813 4.899048 5.657427 2.617730 2.502461 3.094248 1.777309 0.000000 2.090368 2.163076 2.576132 4.034834 1.107090 5.034177 3.494235 5.055411 6.443228 4.081448 4.613172 3.388035 2.494074 5.465638 5.876919 6.238345 2.563884 2.236714 2.891763 4.610076 4.259679 0.000000 2.164534 2.204677 2.928942 4.376124 1.121972 5.438236 2.765658 5.876577 6.783522 2.807825 4.053785 2.697524 2.903591 4.091438 5.033738 5.054375 3.077611 3.204635 2.762834 4.569884 4.889558 1.785756 0.000000 6.627932 4.232854 2.797554 2.165216 5.239615 1.111815 4.560728 2.167244 2.166369 4.646770 5.361229 7.337968 7.582108 5.503857 6.121092 6.190303 4.766404 3.192783 2.532546 2.518377 3.083848 5.165817 5.293908 0.000000 7.793629 5.674961 4.168065 3.538945 6.505665 2.200299 6.473839 1.106225 2.755202 6.871249 7.195606 8.828954 8.484748 7.884088 8.169600 8.488236 5.873779 3.872272 4.285760 4.354704 3.814398 6.040162 6.811620 2.535902 0.000000 6.190205 4.330583 2.864173 2.872964 4.908618 2.214708 5.382663 1.105040 3.517978 5.838232 6.296519 7.318289 6.768393 7.041657 7.428135 7.762599 4.592471 2.280061 3.040686 3.890505 3.214846 4.328363 5.245375 2.511318 1.784146 0.000000 6.778692 4.779735 3.514224 2.827717 5.691488 2.197216 5.749094 1.107797 2.834413 6.490743 6.300701 7.876923 7.500564 7.588558 7.427028 8.014123 4.674777 3.090857 4.085923 3.808816 2.606555 5.226904 6.265948 3.096095 1.787899 1.789051 0.000000 7.756011 5.198355 4.202486 2.780005 6.608531 2.204165 5.089280 3.514219 1.106146 5.408749 5.232954 8.247745 8.956304 5.848924 5.685932 5.984461 5.387323 4.815247 4.362375 2.466385 3.155953 6.770326 6.850340 2.519507 3.777629 4.382745 3.851216 0.000000 8.583226 6.098058 4.790813 3.517062 7.336057 2.205562 6.345730 2.785818 1.106197 6.661587 6.703367 9.305362 9.602471 7.291298 7.329365 7.610935 6.279445 5.054900 4.898126 3.720689 3.824363 7.234776 7.593340 2.522289 2.538453 3.789461 3.188612 1.789966 0.000000 7.748812 5.332021 4.292715 2.816417 6.701499 2.197165 5.641340 2.813473 1.107565 6.307756 5.745000 8.474329 8.832369 6.993383 6.488904 7.081995 5.224502 4.556678 4.785970 3.053705 2.622467 6.656599 7.186847 3.096193 3.114263 3.850551 2.654668 1.788083 1.787883 0.000000 4.069555 2.775793 3.071838 3.969115 3.012418 4.870585 2.183238 5.832011 5.947164 1.097168 3.433278 4.014480 5.134040 2.171191 3.916822 3.440264 3.834869 3.927079 2.462705 3.664369 4.805221 3.755853 2.335162 4.441814 6.631753 5.500978 6.438773 5.688222 6.712332 6.575121 0.000000 4.054807 2.760949 3.809437 3.734196 3.941455 5.238884 2.174599 6.196347 5.686170 3.429450 1.097160 3.966704 5.495076 3.913562 2.177625 3.442261 2.347044 4.553270 4.503854 3.274765 3.511554 4.717338 4.541613 5.697502 7.215742 6.333007 6.087668 5.388590 6.786226 5.579174 4.341615 0.000000 2.118733 4.175746 5.673977 6.728780 3.425823 8.175488 4.243057 8.670692 9.231171 4.809027 4.469790 1.105134 2.641027 5.482900 5.190250 5.659052 4.134278 5.937809 6.031574 6.703858 6.732973 4.193645 3.733483 8.357385 9.742960 8.217011 8.678022 9.164370 10.238444 9.297189 5.103586 4.510771 0.000000 2.174026 3.741791 5.064348 6.275489 2.812116 7.588451 3.632997 8.177380 8.745336 3.697999 4.297387 1.120645 2.793822 4.395168 4.914555 4.960916 4.181490 5.448448 5.096105 6.196613 6.576094 3.706289 2.559154 7.537766 9.179122 7.650817 8.413186 8.629313 9.675325 9.023507 3.736603 4.736694 1.802009 0.000000 2.129870 2.937005 4.467279 5.352214 2.746502 6.823089 2.568763 7.553347 7.773123 3.169771 2.767848 1.100431 3.397271 3.810131 3.485420 3.951419 3.072966 5.009975 4.786884 5.142931 5.470559 3.783200 2.994009 6.961830 8.607209 7.240256 7.647515 7.585464 8.793119 7.909740 3.687213 3.047186 1.786570 1.794343 0.000000 2.119659 4.629598 5.798065 7.062260 3.405290 8.326764 5.394461 8.397196 9.577294 6.042269 5.964950 2.655500 1.105220 7.071395 7.008230 7.510198 4.515643 5.612139 6.201809 7.399871 6.994722 3.530114 3.887611 8.559799 9.430362 7.736139 8.333562 9.778676 10.490343 9.601209 6.004853 5.854117 2.373219 3.116298 3.639282 0.000000 2.125926 3.968981 4.739978 6.075805 2.684859 7.144148 5.133021 6.985296 8.494194 5.807133 5.962942 3.397507 1.104800 7.060812 7.192611 7.679552 3.930250 4.288160 5.145848 6.633715 6.043440 2.258067 3.294162 7.381357 7.964857 6.223941 6.944045 8.853593 9.312561 8.547091 5.583075 5.857060 3.636425 3.815475 4.231022 1.787626 0.000000 2.183858 4.334524 5.258180 6.716473 2.808914 7.813889 5.097705 7.891753 9.198856 5.385231 6.031009 2.792338 1.120581 6.483628 7.033485 7.236700 4.638150 5.082915 5.356279 7.071813 6.918669 2.849737 2.822915 7.829745 8.846237 7.103711 8.054478 9.400784 10.018916 9.419942 5.045597 6.203301 3.081292 2.682033 3.820679 1.797410 1.801079 0.000000 5.896894 4.744560 5.186974 5.570731 5.211433 6.412530 3.455234 7.686538 7.045485 2.176436 3.912791 5.277476 7.070120 1.096400 3.436639 2.179598 5.590841 6.197607 4.672852 4.817105 6.358605 6.119637 4.593998 5.927020 8.391027 7.593678 8.292692 6.412946 7.784783 7.703641 2.494316 5.009950 6.185822 4.890609 4.633345 7.737393 7.723368 6.962689 0.000000 5.897572 4.743492 5.660816 5.408383 5.807898 6.697889 3.456033 7.969348 6.825022 3.915929 2.178107 5.252172 7.347948 3.437618 1.096230 2.180062 4.704279 6.618726 6.010101 4.528384 5.449715 6.762120 6.032606 6.919589 8.861914 8.220927 8.025980 6.145339 7.846719 6.871429 5.013040 2.503916 5.717672 5.702164 4.152415 7.632703 7.934863 7.853891 4.346208 0.000000 6.638452 5.484008 6.196530 6.161098 6.298603 7.203168 3.953783 8.607470 7.444632 3.445689 3.445253 5.806782 8.001727 2.183629 2.183133 1.095896 5.929044 7.268744 6.085535 5.184429 6.628355 7.313440 6.060953 7.027098 9.378394 8.751881 8.973672 6.630563 8.309577 7.844442 4.344476 4.349369 6.459357 5.771223 4.837035 8.437597 8.706922 8.173449 2.514498 2.516446 0.000000 C15H25N 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 0 194.16719999999992 AuxInfo=1/0/N:8,9,12,13,16,14,15,10,11,4,3,5,6,7,2,1/E:(1,2)(3,4)(6,7)(8,9)/CRV:5.3,6.3,7.3,8.3,9.3,14.3/rA:41NCCCCCC3CCC3C3CCC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s3;s1s2;s4;s2;s6;s6;s7;s7;s1;s1;s10;s11;s14s15;s2;s3;s3;s4;s4;s5;s5;s6;s8;s8;s8;s9;s9;s9;s10;s11;s12;s12;s12;s13;s13;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5436162 0.3301826 0.2277310 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= 10731 NPrTT= 53061 LenC2= 9814 LenP2D= 31569. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 210 RedAO= T EigKep= 9.43D-04 NBF= 210 NBsUse= 210 1.00D-06 EigRej= -1.00D+00 NBFU= 210 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= 204 204 205 205 205 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 0 1 -640.072873541956 -640.193877707462 -0.121004165506 -640.421942814050 -0.228065106588 -640.420335416765 0.001607397285 -640.425724947658 -0.005389530894 -640.426057393169 -0.000332445511 -640.426076339765 -0.000018946596 -640.426078566691 -0.000002226926 -640.426280279848 -0.000201713157 -640.426280629199 -0.000000349351 -640.426280597560 0.000000031639 -640.426280655866 -0.000000058305 -640.426280659619 -0.000000003753 -640.426280659737 -0.000000000118 -640.426280659762 -0.000000000025 -640.426280660 15 6.368490145729e+02 -3.699089071651e+03 1.314945349706e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=250283758. IVT= 153808 IEndB= 153808 NGot= 939524096 MDV= 693937199 LenX= 693937199 LenY= 693892658 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= 22155 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= 41. Will process 42 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111 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= 939523472 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=250141792. 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= 22155 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 126 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 123 vectors produced by pass 0 Test12= 9.09D-15 1.00D-09 XBig12= 2.57D+02 7.96D+00. AX will form 123 AO Fock derivatives at one time. 123 vectors produced by pass 1 Test12= 9.09D-15 1.00D-09 XBig12= 3.62D+01 1.36D+00. 123 vectors produced by pass 2 Test12= 9.09D-15 1.00D-09 XBig12= 1.18D-01 3.57D-02. 123 vectors produced by pass 3 Test12= 9.09D-15 1.00D-09 XBig12= 1.78D-05 4.94D-04. 50 vectors produced by pass 4 Test12= 9.09D-15 1.00D-09 XBig12= 2.76D-09 3.89D-06. 3 vectors produced by pass 5 Test12= 9.09D-15 1.00D-09 XBig12= 1.67D-13 3.06D-08. 1 vectors produced by pass 6 Test12= 9.09D-15 1.00D-09 XBig12= 1.90D-16 1.05D-09. InvSVY: IOpt=1 It= 1 EMax= 4.62D-14 Solved reduced A of dimension 546 with 126 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 165.70 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 159.508 -5.509 190.884 -0.187 -1.070 146.695 210.671 -20.611 319.221 -0.503 0.606 298.791 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2966S 2017-11-25T09:11:05.000+01:00 -13.98152 -9.91259 -9.90709 -9.90434 -9.90251 -9.90197 -9.90103 -9.89852 -9.89829 -9.89763 -9.89625 -9.89380 -9.88731 -9.87901 -9.87435 -9.87326 -0.82669 -0.77324 -0.73140 -0.70774 -0.66867 -0.65875 -0.63679 -0.62568 -0.60465 -0.58117 -0.54695 -0.53810 -0.52080 -0.49680 -0.48829 -0.45459 -0.42268 -0.41497 -0.40841 -0.39793 -0.39479 -0.38958 -0.37816 -0.37541 -0.36688 -0.36455 -0.34495 -0.33911 -0.33367 -0.32931 -0.32456 -0.31922 -0.31617 -0.31110 -0.30139 -0.29810 -0.29545 -0.28149 -0.27682 -0.26797 -0.26503 -0.26198 -0.22142 -0.21131 -0.15266 -0.03465 -0.03163 0.07910 0.08802 0.09046 0.09655 0.10269 0.10511 0.11447 0.11626 0.11834 0.11945 0.13015 0.13244 0.14031 0.14326 0.14522 0.15069 0.15833 0.16099 0.16508 0.16903 0.17210 0.17991 0.18110 0.18788 0.19037 0.19106 0.20061 0.20176 0.20752 0.20858 0.21849 0.22099 0.23058 0.23858 0.24399 0.25014 0.25567 0.26533 0.26738 0.27477 0.28198 0.28515 0.29339 0.30161 0.30255 0.31584 0.32033 0.32901 0.33565 0.33909 0.34490 0.35308 0.35991 0.36214 0.36428 0.37440 0.37755 0.38564 0.39427 0.39816 0.40599 0.40791 0.42461 0.42664 0.43533 0.44886 0.46104 0.46630 0.47763 0.48764 0.49279 0.50321 0.50531 0.52022 0.53530 0.54291 0.55367 0.57901 0.60230 0.61321 0.62238 0.64559 0.65780 0.67334 0.67667 0.70557 0.71867 0.75913 0.81551 0.82981 0.84718 0.87044 0.88957 0.90417 0.91764 0.93832 0.94097 0.95984 0.96594 0.98568 1.00085 1.01217 1.03307 1.04314 1.04450 1.05666 1.05890 1.06972 1.08476 1.09280 1.10516 1.11970 1.13926 1.14425 1.15403 1.15762 1.16690 1.20464 1.21045 1.23011 1.24677 1.26366 1.29139 1.30434 1.32562 1.34683 1.38134 1.41882 1.49159 1.51296 1.58100 22.33944 22.50217 22.54599 22.54952 22.56447 22.61077 22.61533 22.63678 22.64348 22.66331 22.67674 22.69034 22.70356 22.72266 22.78707 31.54242 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 N C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H -0.077677 -0.188614 -0.450456 -0.375684 -0.421275 -0.014600 0.494833 -0.718430 -0.720307 -0.401866 -0.444217 -0.628227 -0.620488 -0.248907 -0.230599 -0.247906 0.218745 0.203506 0.195226 0.221138 0.181519 0.203907 0.187383 0.191824 0.210086 0.220477 0.204047 0.216386 0.210110 0.205207 0.228460 0.237622 0.212330 0.183998 0.262725 0.220151 0.224009 0.185870 0.220861 0.223400 0.225434 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 N C C C C C C C C C C C C C C C -0.077677 0.030131 -0.051724 0.026973 -0.029985 0.177224 0.494833 -0.083820 -0.088604 -0.173407 -0.206595 0.030826 0.009542 -0.028046 -0.007199 -0.022472 0.00000 -5.97206936e-02 -9.97039528e-02 2.97547497e-01 1.59508431e+02 -5.50948204e+00 1.90883831e+02 -1.86528735e-01 -1.07032776e+00 1.46695014e+02 -9.5018 -0.0006 -0.0003 0.0004 3.3183 12.2518 13.9256 24.0897 41.0837 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 9.7127 23.8165 41.0493 54.6516 61.8491 81.3702 108.6196 153.5166 182.1817 202.8848 214.0637 217.9881 231.5868 239.3299 248.1615 258.1076 288.2248 344.6100 374.3132 381.1813 406.1395 428.7441 431.2487 474.5095 502.0214 555.2652 583.0789 617.0798 706.2227 731.3586 769.2333 785.3552 806.9208 822.1100 853.7164 912.1953 914.4818 922.9883 940.8462 955.7206 975.4255 985.3229 990.5889 992.0978 1006.6180 1015.4936 1031.2612 1032.5672 1059.8958 1067.2578 1080.6490 1090.2234 1112.9774 1129.1832 1140.6382 1167.6310 1170.7429 1177.1813 1187.6655 1201.6672 1205.1253 1228.8221 1263.0585 1274.1076 1278.2603 1289.0646 1314.0038 1318.7289 1330.3947 1347.6801 1352.8331 1373.4365 1376.0216 1385.0514 1391.6947 1419.3537 1440.3761 1441.2155 1453.9529 1461.2975 1461.7286 1468.5107 1469.6281 1474.1050 1475.5600 1479.9720 1482.1772 1483.7081 1486.9020 1488.6248 1589.8365 1610.7740 2831.0489 2843.8692 2860.5097 2947.3167 2955.0683 2962.2363 2964.6991 2969.2217 2992.7037 3007.2041 3014.7417 3015.8319 3031.8721 3034.9896 3056.2368 3063.9347 3066.9556 3071.3329 3074.2325 3108.6977 3113.5035 3115.2894 3130.3818 3140.5124 3159.6754 2.8566 2.5290 3.6435 3.4477 3.2710 3.3624 2.3262 2.1968 2.9041 2.3912 2.9667 1.0669 1.2653 1.3050 1.2426 2.2933 2.3737 2.1733 2.4190 2.4440 2.8150 2.0970 2.3034 3.0268 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