Gaussian 09 GINC-KIMIK2025 CBGUSER 000239559 EM64L-G09RevD.01 4-Feb-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInputnosymm 268.17949999999985 0 1 AuxInfo=1/0/N:14,12,21,20,11,9,8,16,18,15,7,5,13,6,19,17,10,4,3,2,1/CRV:8.3,9.3,10.3,13.3,15.3,16.3/rA:47OOOOCCCCCCCCC3CC3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s1s5;s2s5;s6;s5;s1s2;s8;s9;s10;s11;s13;s13;s3s15;s16;s4s17s18;s3;s4;s5;s6;s7;s7;s8;s8;s9;s9;s10;s11;s11;s12;s12;s12;s14;s14;s14;s15;s16;s18;s20;s20;s20;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-21513.inp" -scrdir="/scratch/" chk=000239559.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 000239559 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 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 R47 R48 1 1 2 2 3 3 4 4 5 5 5 5 6 6 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 14 14 14 15 15 16 16 17 18 18 20 20 20 21 21 21 6 10 7 10 17 20 19 21 6 7 9 22 8 23 24 25 11 26 27 12 28 29 13 30 14 31 32 33 34 35 15 16 36 37 38 17 39 18 40 19 19 41 42 43 44 45 46 47 1.4443 1.4351 1.4426 1.4379 1.3781 1.4487 1.3761 1.4486 1.5478 1.5377 1.5409 1.1158 1.5364 1.1165 1.1031 1.106 1.5345 1.106 1.1067 1.5253 1.1128 1.1073 1.5088 1.1095 1.5257 1.1076 1.1104 1.0968 1.0962 1.0952 1.4114 1.3902 1.0957 1.0959 1.0963 1.3866 1.0896 1.4074 1.0911 1.4347 1.3892 1.0855 1.0939 1.0934 1.0977 1.0935 1.0981 1.0933 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 6 7 17 19 6 6 6 7 7 9 1 1 1 5 5 8 2 2 2 5 5 24 6 6 6 11 11 26 5 5 5 12 12 28 1 1 1 2 2 13 8 8 8 14 14 31 9 9 9 33 33 34 10 10 15 11 11 11 36 36 37 13 13 17 13 13 18 3 3 15 16 16 19 4 4 17 3 3 3 42 42 43 4 4 4 45 45 46 1 2 3 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 10 10 20 21 7 9 22 9 22 22 5 8 23 8 23 23 5 24 25 24 25 25 11 26 27 26 27 27 12 28 29 28 29 29 2 13 30 13 30 30 14 31 32 31 32 32 33 34 35 34 35 35 15 16 16 36 37 38 37 38 38 17 39 39 18 40 40 15 19 19 19 41 41 17 18 18 42 43 44 43 44 44 45 46 47 46 47 47 115.9318 113.7486 116.8042 117.036 109.2329 109.9044 109.1179 110.7907 108.851 108.9142 110.2554 111.349 99.9912 112.588 111.2856 110.7108 111.2099 108.8539 101.7975 112.1737 112.3916 109.8982 111.1355 110.7245 109.573 109.7418 109.9443 105.5745 112.6663 108.4863 109.9341 110.3482 109.5416 105.6206 109.4405 106.7148 109.7412 107.2429 109.4644 114.1168 111.9014 109.9032 109.1999 109.8949 110.1801 105.5652 110.8041 111.7573 111.9559 107.0003 107.3842 107.6933 119.065 120.0718 120.85 111.7596 111.7363 111.0483 107.4502 107.3546 107.2509 119.1586 118.8931 121.9347 120.3754 119.981 119.6379 126.6697 113.2339 120.0954 119.4663 119.2389 121.2939 113.1688 126.7819 120.0492 110.5087 110.3754 101.4815 111.8978 111.043 111.0807 110.4689 101.4554 110.4459 110.9749 112.0218 111.0043 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 10 10 10 6 6 6 10 10 10 7 7 7 20 20 17 17 17 21 21 19 19 19 7 7 7 9 9 9 22 22 22 6 6 6 9 9 9 22 22 22 6 6 6 7 7 7 22 22 22 1 1 1 5 5 5 23 23 23 6 6 6 26 26 26 27 27 27 5 5 5 28 28 28 29 29 29 1 1 2 2 30 30 8 8 8 31 31 31 32 32 32 10 10 16 16 10 10 15 15 13 13 39 39 13 13 40 40 3 3 15 15 16 16 41 41 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 6 6 6 10 10 10 7 7 7 10 10 10 17 17 20 20 20 19 19 21 21 21 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 5 8 23 2 13 30 5 24 25 1 13 30 15 19 42 43 44 17 18 45 46 47 1 8 23 1 8 23 1 8 23 2 24 25 2 24 25 2 24 25 12 28 29 12 28 29 12 28 29 11 26 27 11 26 27 11 26 27 14 31 32 14 31 32 14 31 32 33 34 35 33 34 35 33 34 35 15 16 15 16 15 16 36 37 38 36 37 38 36 37 38 17 39 17 39 18 40 18 40 3 19 3 19 19 41 19 41 4 18 4 18 4 17 4 17 -54.0611 71.659 -171.3139 56.9017 172.6361 -63.2369 56.932 -67.1452 176.8319 -57.4655 -172.8629 62.8423 3.6538 -176.692 60.2692 -64.0426 178.1201 178.6666 -1.4281 -61.6897 -179.4315 62.8027 48.9589 -76.0571 158.9726 -72.7865 162.1976 37.2272 167.848 42.832 -82.1383 -51.1351 71.0382 -164.5307 70.0734 -167.7533 -43.3222 -170.19 -48.0167 76.4143 -165.3091 72.2145 -42.8262 73.8795 -48.5969 -163.6376 -45.8192 -168.2956 76.6637 55.69 -66.5497 177.3977 -179.8937 57.8666 -58.186 -54.6097 -176.8494 67.098 -175.5549 62.0591 -53.2987 -52.7472 -175.1332 69.509 62.9543 -59.4317 -174.7896 179.9236 -60.8411 60.0705 -58.6525 60.5828 -178.5055 57.2204 176.4557 -62.6327 -147.2467 34.0679 -30.0487 151.266 91.365 -87.3204 -59.5231 60.9233 -179.3736 62.8676 -176.6859 -56.9828 178.7826 -60.7709 58.9322 -178.103 3.2141 0.5717 -178.1111 177.8588 -3.0184 -0.8027 178.3201 179.7002 0.0675 -1.6586 178.7086 0.3784 -179.9527 -178.7474 0.9216 -0.2479 179.8397 179.4315 -0.4809 -179.6427 0.2568 0.6953 -179.4052 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 261 282 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 47 47 47 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= 15931 NPrTT= 79920 LenC2= 13716 LenP2D= 42436. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 262 RedAO= T EigKep= 4.20D-04 NBF= 262 NBsUse= 262 1.00D-06 EigRej= -1.00D+00 NBFU= 262 Using GEDIIS/GDIIS optimizer. local minimum Step number 8 out of a maximum of 261 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00100 0.00284 0.00298 0.00364 0.00423 0.00567 0.00620 0.01034 0.01049 0.01210 0.01515 0.01833 0.01868 0.01974 0.01985 0.02007 0.02027 0.02073 0.02090 0.02112 0.02163 0.02167 0.03395 0.03435 0.03529 0.03636 0.04082 0.04441 0.04548 0.04787 0.04808 0.04850 0.05044 0.05450 0.05506 0.05533 0.05544 0.05588 0.06363 0.06640 0.06899 0.07594 0.08339 0.08438 0.08588 0.09879 0.09905 0.09959 0.10227 0.10599 0.10603 0.11660 0.12204 0.12249 0.12267 0.12344 0.14745 0.15585 0.15916 0.15997 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16002 0.16005 0.16009 0.16014 0.16044 0.16591 0.17217 0.17753 0.20566 0.21868 0.21927 0.22077 0.22512 0.22932 0.23639 0.24586 0.24638 0.25001 0.25003 0.25571 0.26818 0.27152 0.28120 0.28718 0.29105 0.29602 0.29853 0.30365 0.31605 0.32011 0.32068 0.32337 0.32568 0.32732 0.32868 0.32904 0.32952 0.33040 0.33164 0.33385 0.33905 0.33953 0.34050 0.34106 0.34149 0.34167 0.34185 0.34244 0.34377 0.34416 0.34427 0.34468 0.34636 0.34768 0.35275 0.35679 0.37002 0.37963 0.38408 0.38432 0.39309 0.40990 0.41319 0.44953 0.46306 0.46446 0.47399 0.49507 0.50300 RFO step: Lambda=-1.52776778D-07. 1 2 0.00069644 0.00000042 0.00000031 0.00000010 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 R47 R48 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 2.82865 2.75945 2.79454 2.77455 2.64806 2.76570 2.64688 2.76516 2.94582 2.92441 2.93247 2.10081 2.92147 2.09125 2.10166 2.08036 2.91997 2.09464 2.09775 2.91674 2.08949 2.09588 2.86142 2.11276 2.91612 2.09591 2.09102 2.08850 2.08833 2.09262 2.67918 2.65933 2.09146 2.09121 2.08872 2.66320 2.06482 2.67396 2.06568 2.70761 2.66779 2.06744 2.09306 2.09363 2.07869 2.09361 2.07855 2.09388 1.96807 1.90742 2.04011 2.04162 1.90745 1.93312 1.88458 1.96433 1.87742 1.89441 1.91312 1.95827 1.78121 2.00319 1.90267 1.89138 1.93259 1.90769 1.83841 1.93498 1.95234 1.89487 1.97539 1.94030 1.87714 1.90820 1.90629 1.85194 1.99624 1.89629 1.88500 1.91994 1.90022 1.86115 1.94867 1.89872 1.89659 1.90599 1.86754 1.94680 1.96435 1.90307 1.90277 1.91476 1.92229 1.85316 1.93091 1.95378 1.94414 1.86845 1.87945 1.88370 2.08539 2.10702 2.08988 1.94149 1.93823 1.94340 1.87790 1.88067 1.87923 2.10458 2.06656 2.11170 2.09602 2.08442 2.10252 2.17498 2.01901 2.08918 2.10606 2.08045 2.09667 2.02157 2.18097 2.08064 1.94411 1.94432 1.83264 1.90902 1.91670 1.91581 1.94483 1.83205 1.94525 1.91511 1.91041 1.91479 -0.94369 1.30339 -2.95874 1.03414 3.13883 -1.02161 1.05132 -1.08525 -3.11820 -1.06844 3.11431 1.00468 0.00650 -3.13028 1.06157 -1.07522 3.13524 3.13053 -0.00675 -1.06193 -3.13373 1.07782 0.90440 -1.31773 2.84059 -1.26941 2.79165 0.66679 2.94171 0.71958 -1.40528 -0.98173 1.13885 -3.02656 1.17373 -2.98888 -0.87110 -3.02357 -0.90299 1.21478 -3.04688 1.08397 -0.92843 1.09521 -1.05713 -3.06952 -0.98077 -3.13311 1.13768 0.98832 -1.16728 3.09556 -3.09592 1.03167 -0.98868 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0.00017 0.00033 0.00023 0.00022 0.00038 0.00029 0.00019 0.00035 0.00026 0.00062 0.00073 0.00071 0.00065 0.00075 0.00074 0.00073 0.00084 0.00082 0.00000 0.00001 0.00002 -0.00003 -0.00002 -0.00001 -0.00014 -0.00012 -0.00011 0.00044 0.00045 0.00045 0.00038 0.00039 0.00039 0.00042 0.00043 0.00042 0.00034 0.00038 0.00033 0.00023 0.00027 0.00022 0.00025 0.00028 0.00023 0.00017 0.00021 0.00026 0.00030 0.00024 0.00029 0.00011 0.00011 0.00011 0.00010 0.00010 0.00010 0.00011 0.00011 0.00011 -0.00001 -0.00001 -0.00005 -0.00005 0.00001 0.00000 0.00005 0.00004 -0.00003 0.00001 -0.00003 0.00002 -0.00001 -0.00003 -0.00001 -0.00002 0.00004 0.00006 0.00000 0.00002 0.00000 -0.00002 0.00001 -0.00001 -0.00020 -0.00020 -0.00016 0.00009 0.00011 0.00006 0.00012 0.00007 0.00014 0.00016 -0.00014 -0.00001 0.00009 0.00001 0.00003 0.00003 -0.00004 -0.00002 -0.00001 0.00009 -0.00003 -0.00002 -0.00010 0.00006 0.00006 0.00000 -0.00001 -0.00001 0.00003 0.00001 -0.00002 -0.00001 0.00001 0.00001 -0.00001 0.00001 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0.00012 -0.00009 -0.00012 -0.00016 -0.00036 -0.00064 -0.00025 -0.00016 -0.00044 -0.00005 -0.00032 -0.00060 -0.00021 -0.00002 -0.00010 -0.00031 -0.00006 -0.00013 -0.00034 -0.00017 -0.00024 -0.00045 -0.00182 -0.00159 -0.00170 -0.00175 -0.00152 -0.00163 -0.00160 -0.00137 -0.00148 -0.00031 -0.00035 -0.00040 -0.00009 -0.00012 -0.00018 -0.00041 -0.00045 -0.00050 0.00019 0.00026 0.00015 0.00023 0.00030 0.00020 0.00042 0.00048 0.00038 -0.00099 -0.00091 -0.00102 -0.00122 -0.00114 -0.00125 -0.00108 -0.00100 -0.00112 -0.00090 -0.00098 -0.00087 -0.00095 -0.00107 -0.00115 0.00052 0.00047 0.00051 0.00047 0.00041 0.00046 0.00053 0.00048 0.00052 -0.00005 0.00003 0.00004 0.00011 0.00004 0.00004 -0.00004 -0.00004 0.00010 -0.00002 0.00003 -0.00010 0.00001 -0.00002 0.00001 -0.00002 -0.00004 -0.00012 0.00008 -0.00001 -0.00008 0.00001 -0.00005 0.00004 -0.00037 -0.00023 -0.00025 0.00003 0.00008 0.00010 0.00009 0.00011 0.00016 0.00018 -0.00012 -0.00003 0.00014 -0.00002 0.00004 0.00004 -0.00005 0.00000 -0.00001 0.00009 -0.00001 -0.00003 -0.00002 0.00009 0.00005 0.00001 0.00000 0.00000 0.00006 0.00003 0.00002 -0.00004 0.00003 0.00003 0.00001 0.00000 0.00001 0.00003 0.00000 -0.00003 0.00001 0.00001 0.00003 0.00005 -0.00003 0.00004 -0.00003 0.00004 0.00007 -0.00016 -0.00001 -0.00002 0.00001 0.00020 0.00012 -0.00036 -0.00007 0.00010 0.00009 0.00020 0.00021 -0.00012 -0.00015 -0.00020 0.00001 0.00009 0.00028 -0.00005 -0.00022 -0.00009 -0.00006 -0.00001 -0.00017 0.00006 0.00007 0.00012 -0.00033 -0.00004 0.00019 -0.00005 0.00023 0.00004 0.00010 0.00003 0.00016 -0.00002 -0.00007 -0.00020 -0.00001 -0.00002 0.00002 -0.00005 -0.00003 0.00009 0.00014 -0.00013 -0.00003 0.00009 -0.00002 -0.00004 -0.00012 0.00012 0.00000 -0.00003 -0.00002 -0.00001 -0.00001 0.00003 0.00005 0.00005 -0.00008 0.00003 -0.00007 0.00017 -0.00010 0.00006 -0.00003 -0.00003 0.00009 -0.00012 0.00003 -0.00005 0.00009 -0.00004 0.00000 -0.00001 -0.00006 -0.00006 0.00009 0.00005 0.00000 -0.00006 0.00000 0.00006 -0.00006 0.00007 0.00027 0.00034 0.00031 0.00007 0.00012 0.00000 0.00008 0.00007 -0.00001 -0.00022 -0.00030 -0.00001 0.00047 0.00055 -0.00055 -0.00047 -0.00049 0.00002 0.00008 -0.00006 -0.00010 -0.00014 -0.00037 -0.00062 -0.00016 -0.00006 -0.00031 0.00015 -0.00037 -0.00062 -0.00016 0.00014 0.00023 -0.00007 0.00016 0.00025 -0.00006 0.00002 0.00011 -0.00019 -0.00120 -0.00086 -0.00099 -0.00111 -0.00077 -0.00089 -0.00087 -0.00054 -0.00066 -0.00031 -0.00033 -0.00038 -0.00012 -0.00014 -0.00018 -0.00055 -0.00057 -0.00062 0.00063 0.00071 0.00060 0.00062 0.00069 0.00058 0.00083 0.00091 0.00080 -0.00065 -0.00053 -0.00070 -0.00098 -0.00087 -0.00103 -0.00084 -0.00072 -0.00089 -0.00073 -0.00077 -0.00060 -0.00065 -0.00083 -0.00087 0.00063 0.00058 0.00062 0.00057 0.00052 0.00056 0.00064 0.00059 0.00063 -0.00006 0.00002 -0.00001 0.00006 0.00005 0.00004 0.00001 0.00001 0.00008 0.00000 0.00000 -0.00008 0.00000 -0.00005 0.00000 -0.00004 0.00001 -0.00006 0.00008 0.00002 -0.00008 -0.00001 -0.00004 0.00003 2.82828 2.75922 2.79430 2.77458 2.64814 2.76580 2.64697 2.76527 2.94597 2.92458 2.93235 2.10078 2.92161 2.09123 2.10169 2.08041 2.91992 2.09464 2.09774 2.91683 2.08948 2.09585 2.86140 2.11285 2.91617 2.09592 2.09101 2.08850 2.08839 2.09265 2.67921 2.65929 2.09149 2.09124 2.08873 2.66320 2.06483 2.67399 2.06568 2.70758 2.66780 2.06745 2.09309 2.09367 2.07866 2.09365 2.07852 2.09392 1.96814 1.90726 2.04010 2.04160 1.90746 1.93332 1.88470 1.96397 1.87736 1.89451 1.91320 1.95847 1.78141 2.00307 1.90251 1.89118 1.93260 1.90778 1.83870 1.93493 1.95211 1.89478 1.97534 1.94029 1.87697 1.90826 1.90635 1.85206 1.99591 1.89624 1.88519 1.91989 1.90045 1.86118 1.94877 1.89875 1.89675 1.90597 1.86747 1.94661 1.96434 1.90305 1.90279 1.91472 1.92227 1.85325 1.93105 1.95365 1.94411 1.86854 1.87943 1.88366 2.08528 2.10714 2.08988 1.94147 1.93821 1.94339 1.87789 1.88070 1.87928 2.10463 2.06648 2.11173 2.09595 2.08458 2.10242 2.17504 2.01898 2.08915 2.10614 2.08033 2.09671 2.02152 2.18106 2.08059 1.94411 1.94431 1.83258 1.90896 1.91678 1.91586 1.94482 1.83199 1.94524 1.91517 1.91034 1.91486 -0.94342 1.30373 -2.95844 1.03420 3.13895 -1.02162 1.05140 -1.08518 -3.11822 -1.06866 3.11401 1.00467 0.00697 -3.12974 1.06102 -1.07569 3.13476 3.13055 -0.00667 -1.06199 -3.13383 1.07768 0.90403 -1.31835 2.84044 -1.26947 2.79134 0.66694 2.94134 0.71896 -1.40544 -0.98158 1.13908 -3.02663 1.17389 -2.98863 -0.87116 -3.02355 -0.90288 1.21459 -3.04808 1.08310 -0.92941 1.09411 -1.05790 -3.07041 -0.98165 -3.13365 1.13702 0.98800 -1.16761 3.09518 -3.09604 1.03153 -0.98886 -0.96549 -3.12110 1.14169 3.13303 1.00425 -1.01195 -0.97702 -3.10581 1.16118 1.04260 -1.08619 -3.10238 3.03834 -1.16236 0.94838 -1.10564 0.97685 3.08759 0.92809 3.01058 -1.16186 -2.68125 0.50595 -0.55033 2.63687 1.51001 -1.58597 -1.04581 1.04523 3.13930 1.07636 -3.11580 -1.02172 3.11018 -1.08197 1.01210 -3.09713 0.07248 -0.00069 -3.11426 3.09452 -0.07010 -0.00135 3.11722 -3.13158 0.00494 -0.01874 3.11777 -0.00094 3.13651 -3.11926 0.01818 -0.00765 3.12984 3.13858 -0.00712 -3.14096 0.00515 0.00482 -3.13226 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000097 0.000017 0.004257 0.000697 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -2.197292e-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 R42 R43 R44 R45 R46 R47 R48 1 1 2 2 3 3 4 4 5 5 5 5 6 6 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 14 14 14 15 15 16 16 17 18 18 20 20 20 21 21 21 6 10 7 10 17 20 19 21 6 7 9 22 8 23 24 25 11 26 27 12 28 29 13 30 14 31 32 33 34 35 15 16 36 37 38 17 39 18 40 19 19 41 42 43 44 45 46 47 1.4969 1.4602 1.4788 1.4682 1.4013 1.4635 1.4007 1.4633 1.5589 1.5475 1.5518 1.1117 1.546 1.1066 1.1121 1.1009 1.5452 1.1084 1.1101 1.5435 1.1057 1.1091 1.5142 1.118 1.5431 1.1091 1.1065 1.1052 1.1051 1.1074 1.4178 1.4073 1.1068 1.1066 1.1053 1.4093 1.0927 1.415 1.0931 1.4328 1.4117 1.094 1.1076 1.1079 1.1 1.1079 1.0999 1.108 -DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 6 7 17 19 6 6 6 7 7 9 1 1 1 5 5 8 2 2 2 5 5 24 6 6 6 11 11 26 5 5 5 12 12 28 1 1 1 2 2 13 8 8 8 14 14 31 9 9 9 33 33 34 10 10 15 11 11 11 36 36 37 13 13 17 13 13 18 3 3 15 16 16 19 4 4 17 3 3 3 42 42 43 4 4 4 45 45 46 1 2 3 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 10 10 20 21 7 9 22 9 22 22 5 8 23 8 23 23 5 24 25 24 25 25 11 26 27 26 27 27 12 28 29 28 29 29 2 13 30 13 30 30 14 31 32 31 32 32 33 34 35 34 35 35 15 16 16 36 37 38 37 38 38 17 39 39 18 40 40 15 19 19 19 41 41 17 18 18 42 43 44 43 44 44 45 46 47 46 47 47 112.7623 109.2869 116.8899 116.9762 109.2887 110.7597 107.9784 112.5476 107.5683 108.5419 109.6135 112.2007 102.0555 114.7743 109.0147 108.3684 110.7293 109.3025 105.3334 110.866 111.8606 108.5678 113.1816 111.1712 107.5522 109.332 109.2221 106.1082 114.3763 108.6493 108.0025 110.0046 108.8743 106.6359 111.6507 108.7885 108.6663 109.2054 107.002 111.5437 112.5492 109.0377 109.0206 109.7079 110.1393 106.1781 110.6329 111.9435 111.3911 107.0544 107.6846 107.9279 119.4843 120.7231 119.7411 111.2394 111.0524 111.3485 107.5958 107.7544 107.672 120.5838 118.405 120.9915 120.0932 119.4282 120.4653 124.6174 115.6809 119.7011 120.6681 119.2011 120.1304 115.8274 124.9604 119.2117 111.3893 111.4012 105.0027 109.379 109.8187 109.768 111.4304 104.9687 111.4543 109.7277 109.4582 109.7097 -DE/DX = 0.0|-DE/DX = 0.0|-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 = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 10 10 10 6 6 6 10 10 10 7 7 7 20 20 17 17 17 21 21 19 19 19 7 7 7 9 9 9 22 22 22 6 6 6 9 9 9 22 22 22 6 6 6 7 7 7 22 22 22 1 1 1 5 5 5 23 23 23 6 6 6 26 26 26 27 27 27 5 5 5 28 28 28 29 29 29 1 1 2 2 30 30 8 8 8 31 31 31 32 32 32 10 10 16 16 10 10 15 15 13 13 39 39 13 13 40 40 3 3 15 15 16 16 41 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 6 6 6 10 10 10 7 7 7 10 10 10 17 17 20 20 20 19 19 21 21 21 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 5 8 23 2 13 30 5 24 25 1 13 30 15 19 42 43 44 17 18 45 46 47 1 8 23 1 8 23 1 8 23 2 24 25 2 24 25 2 24 25 12 28 29 12 28 29 12 28 29 11 26 27 11 26 27 11 26 27 14 31 32 14 31 32 14 31 32 33 34 35 33 34 35 33 34 35 15 16 15 16 15 16 36 37 38 36 37 38 36 37 38 17 39 17 39 18 40 18 40 3 19 3 19 19 41 19 41 4 18 4 18 4 17 4 -54.0696 74.679 -169.5235 59.2516 179.8416 -58.5342 60.2364 -62.1802 -178.6599 -61.2171 178.4369 57.5639 0.3723 -179.3519 60.8238 -61.6056 179.6363 179.3662 -0.3868 -60.8443 -179.5494 61.7546 51.8181 -75.5006 162.7541 -72.7318 159.9495 38.2042 168.5475 41.2288 -80.5166 -56.2489 65.2514 -173.409 67.2496 -171.2501 -49.9106 -173.2378 -51.7376 69.602 -174.5732 62.1067 -53.1949 62.7512 -60.5689 -175.8705 -56.1942 -179.5142 65.1842 56.6264 -66.88 177.3624 -177.3832 59.1104 -56.6472 -55.2868 -178.7932 65.4492 179.4732 57.4985 -58.0149 -56.0146 -177.9894 66.4972 59.6887 -62.2861 -177.7995 174.1208 -66.5679 54.3781 -63.2923 56.019 176.965 53.2237 172.535 -66.5191 -153.5825 29.0329 -31.4967 151.1187 86.5647 -90.8199 -59.9564 59.8538 179.8332 61.638 -178.5518 -58.5724 178.1637 -62.0261 57.9533 -177.4496 4.1519 -0.039 -178.4375 177.3 -4.019 -0.0779 178.6031 -179.4307 0.2831 -1.0739 178.6399 -0.0537 179.7116 -178.7208 1.0445 -0.4383 179.3297 179.823 -0.409 -179.9586 0.2961 0.2782 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 0 0 268.17949999999985 AuxInfo=1/0/N:14,12,21,20,11,9,8,16,18,15,7,5,13,6,19,17,10,4,3,2,1/CRV:8.3,9.3,10.3,13.3,15.3,16.3/rA:47OOOOCCCCCCCCC3CC3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s1s5;s2s5;s6;s5;s1s2;s8;s9;s10;s11;s13;s13;s3s15;s16;s4s17s18;s3;s4;s5;s6;s7;s7;s8;s8;s9;s9;s10;s11;s11;s12;s12;s12;s14;s14;s14;s15;s16;s18;s20;s20;s20;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.345326 0.000000 6.004310 5.018512 0.000000 6.282000 6.231807 2.519793 0.000000 2.455522 2.459847 7.343197 8.216360 0.000000 1.444269 2.842586 7.275921 7.714074 1.547836 0.000000 2.808096 1.442617 6.418854 7.665391 1.537718 2.515640 0.000000 2.462121 3.673134 8.052023 8.467619 2.565766 1.536394 3.181372 0.000000 3.064435 3.059046 7.381081 8.201092 1.540927 2.528690 2.534003 3.887744 0.000000 1.435081 1.437888 4.986494 5.670052 2.893871 2.440924 2.412348 3.077984 3.657941 0.000000 2.920311 4.680573 8.371232 8.360884 3.922586 2.532846 4.529171 1.534483 5.041617 3.672774 0.000000 4.521548 3.954600 8.173173 9.278794 2.551998 3.887810 3.174498 5.051113 1.525349 4.889547 6.352840 0.000000 2.362488 2.372784 3.722900 4.162694 4.209459 3.708227 3.698334 4.431355 4.607388 1.508783 4.694443 5.830977 0.000000 4.312927 5.762064 9.316830 9.321353 5.099935 3.894278 5.519304 2.535567 6.373779 4.780019 1.525735 7.574261 5.787404 0.000000 3.613905 2.709743 2.470685 3.634788 4.993286 4.840970 4.146026 5.589238 5.257317 2.517421 6.005678 6.235537 1.411379 7.014803 0.000000 2.729761 3.627136 4.170861 3.722702 5.016982 4.165364 4.832030 4.841443 5.309054 2.512208 4.687940 6.672889 1.390211 5.797947 2.436594 0.000000 4.720404 4.072513 1.378115 2.346409 6.290840 6.049983 5.513267 6.817891 6.404847 3.788083 7.055738 7.374892 2.412825 8.046386 1.386611 2.799943 0.000000 4.107140 4.757943 3.639389 2.472370 6.333965 5.547237 6.070963 6.240987 6.470885 3.809876 5.992081 7.771580 2.427362 7.026708 2.825662 1.407372 2.446266 0.000000 4.922624 4.935963 2.348960 1.376094 6.878508 6.352151 6.356055 7.099990 6.949182 4.302077 7.050252 8.084826 2.793721 8.051268 2.444643 2.415342 1.434727 1.389155 0.000000 6.388178 4.886465 1.448675 3.965554 7.274793 7.489180 6.152034 8.255134 7.325091 5.228508 8.805759 7.883774 4.275065 9.718123 2.866203 5.081848 2.407991 4.849205 3.682390 0.000000 6.948788 7.300936 3.965978 1.448558 9.073251 8.389137 8.700153 9.109833 9.023853 6.561462 8.788070 10.197113 5.077625 9.725799 4.849034 4.277283 3.682702 2.871978 2.409173 5.408847 0.000000 3.400612 3.402883 8.380517 9.306889 1.115784 2.184498 2.172166 2.682773 2.175796 3.852116 4.144667 2.688248 5.248882 5.122600 6.025536 6.045091 7.351305 7.391263 7.960921 8.234657 10.160313 0.000000 1.972824 3.744404 7.868392 8.051271 2.212936 1.116504 3.472765 2.195539 2.630672 3.288313 2.753324 4.030403 4.313134 4.206283 5.515392 4.489982 6.606470 5.799265 6.731059 8.193549 8.581292 2.696203 0.000000 3.277376 2.079995 6.833671 8.114523 2.204923 2.877484 1.103068 2.976757 3.499973 2.722181 4.335470 4.069852 4.099923 5.051721 4.556829 5.233380 5.942076 6.499672 6.798791 6.530070 9.155819 2.464259 3.945338 0.000000 3.754483 1.989141 6.534666 8.042394 2.209839 3.486755 1.105957 4.232397 2.693970 3.286663 5.618500 2.803622 4.353440 6.593221 4.503700 5.571877 5.813749 6.700122 6.805632 6.055239 9.167294 2.652097 4.323696 1.808402 0.000000 2.791411 3.350308 7.689105 8.330342 2.811013 2.187776 2.864967 1.105993 4.291158 2.856336 2.173564 5.326323 4.264025 2.727632 5.259262 4.887724 6.535541 6.262231 6.970162 7.778249 9.087942 2.936772 3.116516 2.327026 3.908797 0.000000 3.408580 4.428806 9.052799 9.541639 2.795870 2.173604 3.618692 1.106705 4.087437 4.069525 2.176691 5.034667 5.473521 2.811200 6.582627 5.914257 7.846504 7.316141 8.170702 9.172784 10.187682 2.457270 2.574809 3.353115 4.541134 1.762182 0.000000 2.830486 2.641991 6.407329 7.212838 2.168026 2.855462 2.669337 4.326935 1.112845 3.253554 5.330296 2.178444 3.891115 6.726792 4.417630 4.594061 5.465535 5.632475 6.009238 6.408690 8.059253 3.081714 3.010816 3.743163 2.787244 4.641804 4.765557 0.000000 3.271872 3.924971 8.031217 8.559045 2.182639 2.638076 3.477693 4.003915 1.107262 4.216884 4.949083 2.163932 5.092594 6.340935 5.911751 5.536823 6.975256 6.682503 7.323374 8.125338 9.230968 2.624831 2.257996 4.351541 3.774141 4.656689 4.115302 1.768627 0.000000 2.089480 2.088438 5.485858 6.185404 3.304944 2.741610 2.698539 2.778668 4.396926 1.109457 3.291964 5.561953 2.207997 4.107066 3.101192 3.070453 4.336492 4.337560 4.844748 5.681386 7.057605 4.046044 3.709488 2.539021 3.659666 2.241330 3.785252 4.186402 4.953833 0.000000 3.292442 5.320687 8.983034 8.787488 4.232450 2.796162 5.133358 2.176855 5.112655 4.348888 1.107628 6.442238 5.276499 2.169070 6.645120 5.092531 7.634258 6.345683 7.504727 9.489529 9.094839 4.406624 2.554796 5.101714 6.179660 3.090415 2.510917 5.458167 4.778381 4.183792 0.000000 2.507287 4.383351 7.506798 7.335915 4.175438 2.716153 4.582018 2.169905 5.178952 3.143838 1.110450 6.591489 3.889445 2.174834 5.235658 3.710897 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0.09127 0.19837 0.18905 1.17435 0.81388 0.77023 0.29621 0.89117 0.83051 0.84825 0.02909 0.02640 0.10445 1.17427 0.81408 0.74465 0.50810 0.92113 0.88371 0.85631 0.00973 0.17899 0.24555 1.17436 0.81392 0.77279 0.30361 0.77454 0.91634 0.87613 -0.01321 0.07328 0.12344 1.17432 0.81427 0.75162 0.67942 0.96608 0.79906 0.88769 0.20784 0.11289 0.14652 1.17432 0.81427 0.75161 0.67881 0.91724 0.85444 0.88137 0.19867 0.12936 0.14077 0.51106 0.30460 0.51454 0.26941 0.51941 0.27793 0.51582 0.26381 0.51651 0.27754 0.51331 0.27505 0.50793 0.24967 0.51562 0.28618 0.51894 0.28147 0.51466 0.28743 0.51105 0.26366 0.51435 0.25992 0.51664 0.26832 0.51576 0.27389 0.51544 0.27343 0.51521 0.27153 0.51511 0.26236 0.51237 0.20552 0.51448 0.23154 0.51955 0.23650 0.51672 0.25845 0.51767 0.26224 0.51461 0.24331 0.51711 0.26178 0.51433 0.24189 0.51740 0.26284 2.4313 0.4715 -0.4226 2.5124 -116.5074 -119.4540 -122.9569 -4.9264 -5.0232 7.2458 3.1321 0.1854 -3.3175 -4.9264 -5.0232 7.2458 -32.8845 -19.6047 -7.8174 -45.7468 29.5142 33.0009 -29.9083 -7.9415 -6.0426 -24.0982 -7414.2902 -2704.9860 -875.2396 -364.6608 -300.1325 -122.8792 35.1642 -108.7027 -5.8096 -1647.9711 -1361.9305 -579.9775 112.2497 -7.5005 -39.7441 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 268.17949999999985 AuxInfo=1/0/N:14,12,21,20,11,9,8,16,18,15,7,5,13,6,19,17,10,4,3,2,1/CRV:8.3,9.3,10.3,13.3,15.3,16.3/rA:47OOOOCCCCCCCCC3CC3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s1s5;s2s5;s6;s5;s1s2;s8;s9;s10;s11;s13;s13;s3s15;s16;s4s17s18;s3;s4;s5;s6;s7;s7;s8;s8;s9;s9;s10;s11;s11;s12;s12;s12;s14;s14;s14;s15;s16;s18;s20;s20;s20;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.422809 0.000000 6.128168 5.092913 0.000000 6.419074 6.376979 2.650303 0.000000 2.497427 2.490333 7.504753 8.432686 0.000000 1.496860 2.916056 7.420072 7.895808 1.558858 0.000000 2.862374 1.478809 6.514739 7.826896 1.547529 2.533502 0.000000 2.525750 3.799086 8.099424 8.531606 2.615310 1.545976 3.234826 0.000000 3.114179 3.088903 7.709750 8.583068 1.551795 2.559874 2.577710 3.937279 0.000000 1.460239 1.468226 5.021423 5.751198 2.886452 2.462575 2.403512 3.137618 3.676551 0.000000 3.028194 4.863417 8.466743 8.445060 3.989927 2.580374 4.619083 1.545182 5.108776 3.814125 0.000000 4.545150 3.839936 8.328568 9.528273 2.601436 3.961883 3.149612 5.173840 1.543473 4.819118 6.486723 0.000000 2.418548 2.431285 3.768322 4.238637 4.280550 3.782000 3.742894 4.465309 4.761930 1.514199 4.792409 5.861536 0.000000 4.466825 6.015485 9.434089 9.413966 5.183290 3.954647 5.650873 2.568584 6.447285 4.998088 1.543142 7.720884 5.942199 0.000000 3.699315 2.791121 2.488687 3.699926 5.113649 4.944512 4.230571 5.630739 5.497578 2.532996 6.096090 6.322736 1.417763 7.150675 0.000000 2.785464 3.701442 4.231674 3.770114 5.112240 4.259713 4.896302 4.874196 5.491679 2.539771 4.773560 6.756093 1.407255 5.928923 2.443345 0.000000 4.840195 4.176919 1.401294 2.400715 6.460837 6.197269 5.631374 6.874283 6.723794 3.833980 7.152549 7.538023 2.455485 8.171433 1.409305 2.832940 0.000000 4.181195 4.836107 3.697681 2.494185 6.462286 5.665663 6.151149 6.268775 6.721806 3.838088 6.061048 7.909693 2.445294 7.123066 2.820082 1.414999 2.453622 0.000000 5.040281 5.040770 2.399318 1.400666 7.052469 6.507844 6.472267 7.152930 7.272211 4.354004 7.140727 8.269160 2.840685 8.161653 2.457651 2.456221 1.432804 1.411733 0.000000 6.473670 4.909402 1.463543 4.113632 7.388126 7.581756 6.198746 8.255093 7.613944 5.214721 8.855713 7.994393 4.285060 9.788425 2.867543 5.117269 2.441453 4.894344 3.734513 0.000000 7.041715 7.421938 4.113273 1.463261 9.256759 8.533095 8.832770 9.126830 9.373665 6.613826 8.814387 10.436744 5.127363 9.751195 4.898685 4.291870 3.735783 2.877142 2.441807 5.576333 0.000000 3.436599 3.426193 8.503925 9.491149 1.111700 2.176171 2.160855 2.712470 2.177411 3.836542 4.180093 2.811059 5.295434 5.157104 6.113991 6.118741 7.486885 7.493768 8.103189 8.306396 10.313460 0.000000 2.038918 3.810859 8.111902 8.347302 2.186047 1.106640 3.472039 2.166322 2.629138 3.332857 2.772434 4.102029 4.452030 4.212029 5.687749 4.673040 6.846013 6.028197 6.997401 8.374641 8.847272 2.639575 0.000000 3.269924 2.123923 6.803874 8.133590 2.204032 2.830067 1.112148 2.960289 3.538785 2.664564 4.346755 4.103834 4.046574 5.119151 4.532249 5.188063 5.933541 6.452074 6.779449 6.460124 9.140317 2.456407 3.881215 0.000000 3.851174 2.063931 6.772777 8.353375 2.208051 3.508303 1.100882 4.248857 2.779763 3.327761 5.683410 2.768119 4.492389 6.675474 4.712622 5.730460 6.069956 6.895437 7.054661 6.246685 9.450573 2.582671 4.331686 1.796814 0.000000 2.858966 3.506964 7.668875 8.322370 2.885673 2.203735 2.948400 1.108438 4.373056 2.922900 2.179494 5.455694 4.264139 2.779933 5.258901 4.873226 6.531553 6.225267 6.952685 7.715956 9.031418 2.988940 3.099875 2.340040 3.946149 0.000000 3.457747 4.519542 9.096759 9.617447 2.810225 2.158106 3.636567 1.110080 4.092258 4.106155 2.179291 5.156880 5.502631 2.807846 6.619561 5.954352 7.904426 7.356377 8.232378 9.162028 10.221272 2.458688 2.504015 3.326588 4.496136 1.773047 0.000000 2.780232 2.750548 6.859072 7.639174 2.174403 2.799071 2.812944 4.309743 1.105711 3.274123 5.307259 2.184620 4.070213 6.742461 4.752666 4.742812 5.874651 5.868939 6.372204 6.865175 8.418858 3.085358 2.884978 3.858317 3.074651 4.700556 4.709123 0.000000 3.446065 4.037724 8.538858 9.157615 2.168406 2.717245 3.514625 4.043210 1.109093 4.350166 5.034906 2.172543 5.406531 6.389615 6.300236 5.913086 7.472732 7.151115 7.857632 8.561292 9.812412 2.518766 2.327237 4.353222 3.817385 4.718317 4.057901 1.776191 0.000000 2.104120 2.089413 5.447245 6.218685 3.215164 2.692110 2.589463 2.772739 4.350083 1.118027 3.419516 5.441125 2.187714 4.334828 3.054263 3.093553 4.318847 4.346378 4.851526 5.573229 7.072937 3.935246 3.692237 2.355111 3.572461 2.224033 3.753998 4.166700 4.994865 0.000000 3.336773 5.437192 9.087632 8.890064 4.250829 2.800999 5.174764 2.176176 5.115605 4.431083 1.109108 6.538559 5.349359 2.183058 6.720207 5.170116 7.733137 6.427449 7.609500 9.544836 9.146522 4.410563 2.534157 5.079882 6.200888 3.091233 2.517883 5.330828 4.806495 4.262422 0.000000 2.658052 4.602526 7.624649 7.427042 4.279163 2.803769 4.701735 2.174035 5.308931 3.328728 1.106518 6.749173 4.021385 2.186659 5.349943 3.821883 6.285576 5.043282 6.158575 8.139723 7.748394 4.717057 3.083423 4.495188 5.801029 2.545781 3.089201 5.280045 5.339274 2.986680 1.771548 0.000000 5.212481 4.662060 8.773576 9.879432 3.549430 4.744325 4.173095 6.055997 2.192246 5.594464 7.267420 1.105186 6.480019 8.569196 6.911564 7.268620 8.020581 8.334759 8.685933 8.481592 10.735781 3.795483 4.690766 5.172019 3.787946 6.434361 6.041564 2.554380 2.474536 6.330227 7.196856 7.496712 0.000000 4.757250 3.469331 7.715314 9.174018 2.939421 4.380245 2.907213 5.540523 2.208699 4.694604 6.909457 1.105097 5.642866 8.106732 5.867396 6.696274 7.067642 7.775108 7.952789 7.228400 10.199527 3.262157 4.744715 3.869774 2.218638 5.616527 5.634497 2.527948 3.105728 5.303617 7.113042 7.073319 1.777375 0.000000 5.129588 4.488522 9.217819 10.466261 2.839051 4.257340 3.476425 5.231933 2.203488 5.434595 6.617484 1.107366 6.630895 7.711382 7.139559 7.545530 8.418043 8.769911 9.172182 8.822229 11.379112 2.595314 4.388436 4.224871 3.049486 5.508021 4.986665 3.112997 2.573037 5.884143 6.664556 7.043796 1.786407 1.789103 0.000000 5.091290 6.534408 10.326811 10.425798 5.334331 4.277990 5.933907 2.839194 6.595849 5.690437 2.200816 7.763472 6.784725 1.106751 7.980378 6.867839 9.079179 8.115950 9.142715 10.591021 10.796458 5.079235 4.443183 5.377505 6.880733 3.136647 2.625585 7.054961 6.452585 5.046877 2.550416 3.113119 8.614003 8.223299 7.601127 0.000000 4.672085 5.852170 9.056231 9.201744 5.356461 4.279732 5.521595 2.835469 6.748416 4.874411 2.198355 7.943006 5.787948 1.106621 6.857439 5.913487 7.873680 7.063688 7.967603 9.334275 9.633426 5.348186 4.781109 4.821933 6.518398 2.592236 3.178830 7.017272 6.862505 4.017565 3.109755 2.555255 8.868459 8.188384 7.937730 1.786055 0.000000 5.099821 6.844262 9.863756 9.563786 6.120755 4.774627 6.619647 3.532166 7.293085 5.693344 2.201097 8.637143 6.441840 1.105304 7.683654 6.201208 8.574654 7.270540 8.391889 10.350224 9.743929 6.162320 4.895623 6.132733 7.671887 3.799929 3.821026 7.504926 7.162680 5.076766 2.531664 2.533115 9.432481 9.052373 8.676860 1.786800 1.785756 0.000000 4.032263 2.420888 2.776516 4.581949 4.903992 5.045401 3.771117 5.724608 5.320454 2.707680 6.430647 5.921987 2.162818 7.439404 1.092654 3.422169 2.183080 3.912263 3.456792 2.557971 5.873511 5.832117 5.891453 4.057303 4.053090 5.237670 6.616386 4.681337 6.250682 3.130202 7.113914 5.825807 6.569015 5.315072 6.688030 8.175768 7.074133 8.093507 0.000000 2.436256 4.056095 5.324422 4.669970 4.925518 3.811490 5.016502 4.353328 5.331993 2.741430 4.018540 6.734564 2.164920 5.226878 3.431508 1.093111 3.925841 2.183019 3.447048 6.185213 4.949785 5.864882 4.043895 5.285773 5.952524 4.554097 5.409812 4.684418 5.565279 3.218222 4.272021 3.053965 7.236732 6.848368 7.454959 6.157212 5.379624 5.415386 4.317431 0.000000 4.809157 5.800473 4.574666 2.770861 7.207498 6.261157 7.052867 6.809802 7.423264 4.708071 6.379907 8.685391 3.430118 7.396853 3.914046 2.170180 3.449979 1.094042 2.177269 5.866098 2.556366 8.218636 6.480442 7.347540 7.845269 6.871250 7.887449 6.571742 7.724595 5.178122 6.627669 5.325379 9.054578 8.642206 9.542578 8.415101 7.427179 7.388759 5.006072 2.503074 0.000000 6.148548 4.408843 2.133335 4.636223 6.815236 7.177733 5.661543 8.004729 6.879432 4.961892 8.739173 7.130312 4.194494 9.778292 2.848210 5.152572 2.761374 5.109396 4.095408 1.107600 6.070986 7.736057 7.930269 6.074772 5.583787 7.538758 8.850328 6.122613 7.849159 5.470133 9.362978 8.104310 7.552591 6.327937 7.987956 10.513428 9.400992 10.409663 2.341550 6.169577 6.116826 0.000000 6.327294 4.660504 2.133712 4.643204 7.136765 7.330321 5.832110 7.826062 7.574213 4.951879 8.456941 7.969191 4.207787 9.260139 2.854392 5.170261 2.767273 5.126156 4.105847 1.107900 6.084974 7.974755 8.220128 5.915840 5.907875 7.167293 8.708819 6.947474 8.552305 5.099934 9.241251 7.786150 8.583056 7.190849 8.696718 10.040909 8.708674 9.854554 2.357684 6.195882 6.136796 1.807919 0.000000 7.565662 5.976280 2.045832 4.512207 8.446798 8.677258 7.233330 9.348588 8.623968 6.314639 9.940221 8.919559 5.354457 10.846721 3.941083 6.101980 3.319763 5.723618 4.445011 1.099993 5.936128 9.352533 9.462973 7.486073 7.207956 8.788965 10.250056 7.862424 9.580369 6.654926 10.634291 9.207877 9.358730 8.105184 9.752053 11.658263 10.363072 11.390978 3.651334 7.184658 6.620210 1.806354 1.806038 0.000000 6.831558 7.414869 4.633192 2.133821 9.064026 8.316929 8.802129 9.030356 9.034996 6.606030 8.698317 10.122209 5.168973 9.743211 5.119207 4.206712 4.097682 2.859137 2.763066 6.069048 1.107892 10.136628 8.503250 9.213223 9.426013 9.065436 10.098268 8.045758 9.381449 7.191988 8.902974 7.659520 10.329817 9.969939 11.092490 10.757681 9.748102 9.724219 6.126104 4.728983 2.347490 6.387359 6.654308 6.497107 0.000000 8.102000 8.343764 4.510876 2.045088 10.265960 9.595422 9.779771 10.196228 10.349291 7.614301 9.899036 11.351078 6.110689 10.808426 5.725965 5.360304 4.445647 3.950073 3.319250 5.935246 1.099921 11.329940 9.922949 10.088608 10.343545 10.066288 11.292367 9.371720 10.815150 8.063679 10.243647 8.829679 11.620289 11.062606 12.314651 11.861280 10.656449 10.788279 6.626777 6.046870 3.650044 6.500136 6.512742 6.101230 1.805527 0.000000 6.989036 7.575676 4.647542 2.134226 9.312210 8.446966 8.921525 8.869350 9.578516 6.600595 8.404992 10.737882 5.179847 9.213200 5.130532 4.216226 4.108703 2.867033 2.769981 6.088819 1.108035 10.324498 8.768883 9.118121 9.633598 8.759144 9.972433 8.693188 9.977743 6.917052 8.762322 7.309962 11.113092 10.550156 11.621852 10.288038 9.075229 9.113195 6.145360 4.746031 2.355503 6.657874 6.424067 6.518811 1.809152 1.805443 0.000000 0.4110054 0.1543857 0.1272954 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= 253 253 253 253 253 MxSgAt= 47 MxSgA2= 47. 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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= 15931 NPrTT= 79920 LenC2= 13629 LenP2D= 42011. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 262 RedAO= T EigKep= 4.47D-04 NBF= 262 NBsUse= 262 1.00D-06 EigRej= -1.00D+00 NBFU= 262 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= 252 252 252 252 252 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 0 1 -962.591712391693 -962.711380081946 -0.119667690253 -962.961512333889 -0.250132251943 -962.965837064351 -0.004324730462 -962.990702520044 -0.024865455694 -962.992349014706 -0.001646494662 -962.992433944406 -0.000084929700 -962.992442918243 -0.000008973837 -962.992586519159 -0.000143600916 -962.992586678201 -0.000000159042 -962.992586935441 -0.000000257240 -962.992587073328 -0.000000137888 -962.992587080489 -0.000000007160 -962.992587080858 -0.000000000369 -962.992587080895 -0.000000000037 -962.992587080910 -0.000000000015 -962.992587081 16 9.591789076741e+02 -5.773150069754e+03 2.088257288000e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=602845143. IVT= 227720 IEndB= 227720 NGot= 939524096 MDV= 345774546 LenX= 345774546 LenY= 345705461 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= 34453 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 9.56536664e-01 1.85496562e-01 -1.66247809e-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 45 46 47 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.018107992 0.011107492 0.013375611 -0.018066742 -0.011747687 -0.005328706 -0.005935360 -0.002586512 -0.000349054 -0.007547934 -0.002439824 -0.000629655 0.004988721 -0.000852839 0.008476839 0.017512175 0.001272137 0.000113577 0.005565686 -0.008266820 -0.004982536 0.001373264 0.003337422 0.003558473 -0.006719896 -0.000119611 0.002966809 -0.004034017 -0.003525700 0.006448433 -0.004114925 0.001309465 0.000388478 -0.001797063 -0.004810751 0.003446639 0.007538589 -0.000139381 -0.008291028 -0.000407816 0.005985428 0.000364931 0.007412210 -0.002459034 -0.004281240 0.002230749 0.009611209 0.004588460 -0.008600266 0.011351089 0.008677309 0.003034759 0.005426259 0.004624050 0.002432876 -0.011952473 -0.010106191 -0.013842795 0.000620546 0.001744247 -0.009181830 -0.009406087 -0.006092362 -0.003610485 0.000922483 0.000398822 0.007247030 -0.002551265 -0.007268405 0.005262010 0.000973702 -0.004197775 0.007829836 0.002808944 -0.001591608 -0.000851059 0.000099029 -0.001245005 0.001205998 -0.000329634 0.001678882 0.003684012 0.000274714 -0.000365880 0.001662047 0.000858601 -0.000432642 0.000377147 0.001949344 -0.004682150 0.001118299 -0.000898315 0.000823002 0.002388696 -0.000423950 -0.000636458 -0.001014823 -0.003905645 0.004270848 -0.001506061 -0.003683135 -0.004879778 0.007418279 0.001491242 -0.000607520 0.007176098 -0.000729285 0.000023762 -0.002596227 -0.002134656 -0.006125017 -0.001383001 0.006222782 0.000969468 0.000790663 -0.001114873 -0.000930763 0.001790162 0.000143266 0.000057027 -0.002810532 0.003969775 0.003458943 0.006188003 -0.006439703 0.001156088 0.005397905 -0.001036639 -0.007930969 0.002433159 -0.006577143 -0.004856838 0.001461986 0.002879083 0.008885366 -0.003541177 0.005849000 0.004927444 0.000149643 0.009667950 0.000388073 0.018107992 0.005610563 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -963.006591711367 -963.006609245171 -0.000017533803 -963.006608805691 0.000000439480 -963.006609368639 -0.000000562949 -963.006609372894 -0.000000004255 -963.006609374791 -0.000000001896 -963.006609374930 -0.000000000140 -963.006609374963 -0.000000000032 -963.006609375 8 9.582165390221e+02 -5.720972189786e+03 2.062723838657e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=602845143. IVT= 227720 IEndB= 227720 NGot= 939524096 MDV= 345774546 LenX= 345774546 LenY= 345705461 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= 34453 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 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.781624 -18.779581 -18.763988 -18.761297 -9.991053 -9.953302 -9.952360 -9.949750 -9.943592 -9.942146 -9.939437 -9.907756 -9.900747 -9.897276 -9.895863 -9.892548 -9.891168 -9.889572 -9.887415 -9.882730 -9.881204 -0.965968 -0.964726 -0.949101 -0.902238 -0.768808 -0.743595 -0.709820 -0.692209 -0.671847 -0.662568 -0.637855 -0.630716 -0.625876 -0.595062 -0.584737 -0.546760 -0.535722 -0.523014 -0.512358 -0.488404 -0.477282 -0.454601 -0.446644 -0.433582 -0.422421 -0.417753 -0.414313 -0.407013 -0.404310 -0.397661 -0.394964 -0.393270 -0.381389 -0.370384 -0.365506 -0.359772 -0.357004 -0.352117 -0.345169 -0.332627 -0.330802 -0.326151 -0.317959 -0.311728 -0.299727 -0.297548 -0.292293 -0.284233 -0.278325 -0.276692 -0.271574 -0.266428 -0.262588 -0.261282 -0.259488 -0.212365 -0.208906 -0.200137 -0.167740 -0.021016 -0.015567 0.038295 0.052383 0.065439 0.070729 0.079893 0.080592 0.095597 0.098372 0.100266 0.106645 0.110103 0.114040 0.115235 0.122625 0.124071 0.135795 0.140583 0.146892 0.149084 0.154467 0.158288 0.161941 0.166014 0.172139 0.176259 0.176537 0.178444 0.183248 0.185464 0.188869 0.190271 0.193866 0.198025 0.205328 0.208429 0.211831 0.213643 0.219663 0.221501 0.228924 0.237275 0.240920 0.245867 0.249169 0.255077 0.269229 0.272609 0.275624 0.282163 0.284491 0.291366 0.295906 0.299790 0.301907 0.307957 0.313843 0.317298 0.320800 0.324981 0.331395 0.336648 0.338541 0.352018 0.356439 0.366844 0.367908 0.379583 0.384290 0.392259 0.397049 0.405795 0.406501 0.417385 0.422248 0.426917 0.431610 0.440864 0.450185 0.454950 0.459551 0.473149 0.483605 0.487871 0.494921 0.498833 0.504708 0.510887 0.523486 0.544631 0.550903 0.582078 0.590281 0.596991 0.616665 0.627852 0.647046 0.659401 0.671864 0.713362 0.727906 0.738434 0.756063 0.777029 0.801286 0.845530 0.851234 0.857123 0.863810 0.872737 0.884269 0.892633 0.910368 0.917748 0.927240 0.942684 0.966538 0.979561 0.986587 0.997510 1.016529 1.025050 1.032236 1.043689 1.048397 1.056337 1.058606 1.062516 1.074154 1.080389 1.084548 1.087754 1.095782 1.095938 1.107145 1.113105 1.132127 1.151718 1.157417 1.164240 1.177049 1.186284 1.198968 1.202173 1.231739 1.239506 1.254657 1.272438 1.304398 1.331068 1.377702 1.388365 1.414007 1.443291 1.477844 1.499978 1.774984 1.788175 1.812974 1.836580 22.311459 22.463528 22.520580 22.528327 22.544680 22.555737 22.588547 22.600328 22.607124 22.634943 22.651708 22.670815 22.676977 22.681946 22.698032 22.740658 22.810452 41.556169 41.560946 41.574903 41.577541 29.116365 29.116394 29.116942 29.116821 15.959798 15.956122 15.955335 15.959152 15.958065 15.958248 15.958238 15.957648 15.953278 15.957028 15.954457 15.953101 15.958531 15.954262 15.958038 15.957663 15.957468 2.473871 2.318103 2.600829 2.668037 1.550601 1.478600 1.368054 1.675321 1.641935 1.496035 1.619798 1.585512 1.636996 1.520849 1.694760 1.411972 1.502547 1.504234 1.481739 1.403825 1.357132 1.454891 1.582352 1.415809 1.206397 1.227017 1.510567 1.157977 1.107917 1.146017 1.210945 1.176009 1.328914 1.391635 1.224602 1.190250 1.240237 1.331805 1.175994 1.117450 1.407532 1.335745 1.276040 1.517688 1.436651 1.239596 1.314001 1.086306 1.528596 1.916672 1.787942 1.778370 1.490034 2.192320 2.001575 2.148403 2.353589 1.526741 1.849980 1.625254 1.606901 1.958307 1.913483 1.810046 1.921154 1.071212 1.398538 1.125393 1.131772 1.181113 1.277198 1.308091 1.536789 1.442047 1.582490 1.327229 1.314328 1.372096 1.445480 1.222766 1.394200 1.482879 1.191589 1.583809 1.507484 1.132845 1.077257 1.171639 1.498625 1.280539 1.555574 1.429898 1.468898 1.463037 1.283850 1.565704 1.489953 1.549341 1.453720 1.459102 1.933929 1.124643 1.679724 1.114867 1.476216 1.799615 1.422419 1.857817 1.430043 1.478156 1.700008 1.585280 1.500972 1.672425 1.509739 1.762832 1.428908 1.647065 1.819169 1.578783 1.744510 1.324475 1.465908 1.481319 1.868788 1.596463 1.785313 1.681857 2.053772 2.196525 1.984668 2.201571 2.159554 2.087047 2.015535 1.854201 2.404203 1.942552 1.903001 2.272317 1.735491 2.095872 2.362401 1.859774 1.850183 1.841496 1.853865 2.121965 1.733006 1.819127 2.150697 1.738534 2.004752 2.761092 1.920368 2.316914 2.617710 2.093054 2.470906 2.148882 2.550642 2.051704 2.643618 2.262231 2.562495 2.791449 2.920116 2.954147 2.831535 2.882138 2.729624 3.070074 2.928800 2.839876 2.768992 3.042290 2.968188 2.725449 2.962523 2.829224 2.883870 2.963011 2.915812 2.879042 2.661171 2.627486 2.640588 2.630268 2.731189 2.803824 2.649746 2.591151 2.756205 2.704655 2.705160 2.794678 2.793551 2.969772 2.742369 2.779160 2.771545 2.776759 2.802371 2.821919 2.839009 2.738645 2.743386 2.807246 2.897234 3.143831 2.895015 2.882345 3.148950 2.978515 2.958848 3.125082 5.322919 5.319957 5.438088 5.182555 57.406027 57.417575 57.390530 57.390985 57.406520 57.414719 57.406102 57.401620 57.409257 57.397518 57.396967 57.389061 57.379534 57.384124 57.382999 57.398859 57.384185 105.843779 105.843214 105.843750 105.841001 9.582165390221D+02 PT3518.500S Sun Feb 4 17:17:20 2018 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 45 46 47 O O O O C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.246543 -0.243826 -0.234577 -0.228058 -0.032847 -0.096351 -0.408596 -0.438382 -0.382496 -0.089221 -0.345227 -0.727741 0.402587 -0.712571 -0.532192 -0.421252 0.215460 -0.336525 0.184799 -0.539722 -0.540857 0.184341 0.216055 0.202660 0.220367 0.205944 0.211644 0.242406 0.198203 0.199583 0.197908 0.225288 0.225724 0.215042 0.210351 0.211133 0.213254 0.222539 0.282116 0.253980 0.243949 0.224838 0.220084 0.242082 0.221111 0.243785 0.219752 0.00000 -9.95330 -9.95236 -9.94975 -9.94359 -9.94215 -9.93944 -9.90776 -9.90075 -9.89728 -9.89586 -9.89255 -9.89117 -9.88957 -9.88742 -9.88273 -9.88120 -0.96597 -0.96473 -0.94910 -0.90224 -0.76881 -0.74359 -0.70982 -0.69221 -0.67185 -0.66257 -0.63786 -0.63072 -0.62588 -0.59506 -0.58474 -0.54676 -0.53572 -0.52301 -0.51236 -0.48840 -0.47728 -0.45460 -0.44664 -0.43358 -0.42242 -0.41775 -0.41431 -0.40701 -0.40431 -0.39766 -0.39496 -0.39327 -0.38139 -0.37038 -0.36551 -0.35977 -0.35700 -0.35212 -0.34517 -0.33263 -0.33080 -0.32615 -0.31796 -0.31173 -0.29973 -0.29755 -0.29229 -0.28423 -0.27832 -0.27669 -0.27157 -0.26643 -0.26259 -0.26128 -0.25949 -0.21236 -0.20891 -0.20014 -0.16774 -0.02102 -0.01557 0.03830 0.05238 0.06544 0.07073 0.07989 0.08059 0.09560 0.09837 0.10027 0.10664 0.11010 0.11404 0.11523 0.12263 0.12407 0.13579 0.14058 0.14689 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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 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 42 H 1S 2S 43 H 1S 2S 44 H 1S 2S 45 H 1S 2S 46 H 1S 2S 47 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|21 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|22 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|42 H 1S|2S|43 H 1S|2S|44 H 1S|2S|45 H 1S|2S|46 H 1S|2S|47 H 1S|2S 1.13241 0.85930 0.94498 0.92759 0.97842 1.29283 1.13368 0.22599 0.45760 0.31210 1.13242 0.85929 0.94773 0.91627 1.02111 1.05250 1.32935 0.26793 0.26015 0.46546 1.13234 0.85934 0.94743 0.90158 1.15973 1.07700 1.18989 0.36320 0.25385 0.35950 1.13234 0.85934 0.94779 0.89997 1.02574 1.17549 1.22526 0.23922 0.34162 0.39099 1.17433 0.81409 0.72367 0.56746 0.89471 0.86037 0.86469 0.12882 0.00546 0.01616 1.17450 0.81390 0.74071 0.58900 0.68640 0.89730 0.94135 0.02539 0.04235 0.16116 1.17441 0.81406 0.74099 0.64014 0.70432 0.96512 0.91379 0.06322 0.24311 0.14152 1.17429 0.81418 0.72363 0.62439 0.90169 0.86630 0.89419 0.19955 0.06294 0.16230 1.17429 0.81423 0.72288 0.62617 0.93346 0.85672 0.86778 0.18745 0.05110 0.13282 1.17454 0.81389 0.75684 0.58020 0.90225 0.74563 0.84238 0.04418 0.08110 0.13070 1.17429 0.81426 0.72340 0.61089 0.91988 0.84516 0.88985 0.17956 0.05169 0.13323 1.17425 0.81435 0.72347 0.69234 0.90800 0.87705 0.91849 0.21891 0.15535 0.24164 1.17432 0.81387 0.74880 0.45133 0.88244 0.88231 0.84625 -0.17048 -0.07107 0.04245 1.17426 0.81436 0.72441 0.68653 0.90848 0.89727 0.89438 0.21499 0.19111 0.19251 1.17428 0.81397 0.74096 0.57911 0.89984 0.89572 0.85147 0.08453 0.22552 0.26278 1.17434 0.81400 0.74539 0.58266 0.91917 0.87474 0.82937 0.09579 0.19682 0.20028 1.17439 0.81391 0.76824 0.32670 0.88423 0.82568 0.83768 0.02474 0.01695 0.10382 1.17431 0.81410 0.74503 0.52340 0.91552 0.87727 0.84676 0.00975 0.17974 0.23958 1.17441 0.81395 0.77030 0.33608 0.76435 0.90720 0.87321 -0.00973 0.05673 0.11734 1.17435 0.81431 0.74827 0.68682 0.95159 0.80765 0.87615 0.20907 0.12122 0.14953 1.17435 0.81431 0.74823 0.68589 0.92662 0.82983 0.87902 0.21000 0.12416 0.14684 0.51263 0.30550 0.51783 0.27324 0.51510 0.28951 0.51746 0.25178 0.51498 0.28138 0.51148 0.28711 0.51005 0.24245 0.51473 0.29520 0.51514 0.29643 0.51389 0.29238 0.51246 0.26278 0.51068 0.26750 0.51266 0.26495 0.51106 0.28501 0.51103 0.28145 0.51092 0.27875 0.51116 0.26841 0.51163 0.21190 0.51286 0.22923 0.51609 0.24486 0.51157 0.26453 0.51203 0.26988 0.51330 0.24388 0.51170 0.26919 0.51321 0.24218 0.51178 0.27060 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 45 46 47 O O O O C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.264907 -0.252217 -0.243857 -0.237758 -0.049741 -0.072060 -0.400691 -0.423455 -0.366905 -0.071706 -0.342231 -0.723846 0.399771 -0.698311 -0.528200 -0.432553 0.223663 -0.325453 0.196166 -0.538952 -0.539235 0.181871 0.208926 0.195394 0.230764 0.203638 0.201408 0.247500 0.190068 0.188431 0.193721 0.224755 0.221828 0.222389 0.203932 0.207522 0.210321 0.220428 0.276468 0.257912 0.239044 0.223898 0.218082 0.242823 0.219118 0.244613 0.217625 0.00000 1.15482175e+00 3.29067884e-01 -2.67413504e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.9353 0.8364 -0.6797 3.1269 -116.7786 -119.0328 -123.2005 -6.2326 -5.2402 8.1167 2.8920 0.6378 -3.5299 -6.2326 -5.2402 8.1167 -7.6070 -11.0434 -15.8515 -44.5210 39.7223 35.1383 -27.5169 -8.3957 -9.1310 -27.6141 -7689.9288 -2804.1818 -886.6482 -385.3608 -362.2084 -80.1649 32.8166 -141.9763 -10.2419 -1678.1473 -1403.1926 -591.2996 124.5471 -16.8976 -24.7038 0 -963.0066094 9.566E-9 3.113E-5 2.1501403,0.4742191,-2.6243594,-4.633817,-3.8959285,6.0345756 C01 [X(C17H26O4)] 1.1548218 0.3290679 -0.2674135 @ 0.000060775 -0.000025560 -0.000043757 0.000055353 -0.000028610 0.000000589 -0.000063266 -0.000009332 -0.000025525 -0.000067865 -0.000036336 -0.000015914 0.000084428 -0.000009942 0.000087684 -0.000178091 0.000030179 0.000015082 -0.000140247 -0.000024222 -0.000009561 0.000039806 0.000050057 -0.000050373 -0.000020699 0.000052208 -0.000005270 0.000035734 0.000017880 0.000081112 -0.000026158 -0.000029954 0.000029691 0.000006447 -0.000016559 -0.000003709 0.000007466 0.000004964 -0.000011726 -0.000004035 0.000028706 -0.000011522 0.000010772 0.000020845 0.000003390 0.000011938 0.000003843 0.000007920 0.000016941 0.000056180 0.000052477 0.000024619 -0.000018646 -0.000012493 0.000063309 -0.000034502 -0.000024269 -0.000016785 -0.000040913 -0.000002798 -0.000038655 0.000003837 0.000007983 -0.000005711 -0.000002523 -0.000007530 0.000028914 0.000000809 -0.000014363 0.000010501 0.000004716 -0.000007591 0.000039850 -0.000008410 -0.000000391 -0.000002863 0.000003464 0.000003906 -0.000003000 -0.000010385 0.000021632 0.000006968 0.000000806 -0.000008491 -0.000008345 -0.000003533 -0.000001384 -0.000002982 0.000000978 -0.000027438 0.000007180 0.000005332 -0.000002511 -0.000001568 -0.000000876 -0.000010709 0.000009295 0.000001949 -0.000001458 -0.000008992 -0.000000356 -0.000026884 0.000007653 0.000006208 -0.000007457 0.000005369 -0.000005253 -0.000002701 -0.000007072 -0.000003171 -0.000005204 -0.000002352 -0.000000402 0.000007373 0.000007193 0.000001424 0.000001254 -0.000013886 0.000007145 0.000006795 0.000006333 0.000001758 0.000002627 0.000019564 -0.000002574 0.000001726 0.000015100 0.000002248 -0.000009318 0.000002290 0.000008882 0.000009854 0.000009635 0.000001574 0.000012250 0.000009777 -0.000013013 -0.000005569 0.000009358 0.000009078 0.000002573 268.17949999999985 AuxInfo=1/0/N:14,12,21,20,11,9,8,16,18,15,7,5,13,6,19,17,10,4,3,2,1/CRV:8.3,9.3,10.3,13.3,15.3,16.3/rA:47OOOOCCCCCCCCC3CC3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s1s5;s2s5;s6;s5;s1s2;s8;s9;s10;s11;s13;s13;s3s15;s16;s4s17s18;s3;s4;s5;s6;s7;s7;s8;s8;s9;s9;s10;s11;s11;s12;s12;s12;s14;s14;s14;s15;s16;s18;s20;s20;s20;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2025 CBGUSER 000239559 EM64L-G09RevD.01 4-Feb-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 135 C1[X(C17H26O4)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 268.17949999999985 0 1 AuxInfo=1/0/N:14,12,21,20,11,9,8,16,18,15,7,5,13,6,19,17,10,4,3,2,1/CRV:8.3,9.3,10.3,13.3,15.3,16.3/rA:47OOOOCCCCCCCCC3CC3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s1s5;s2s5;s6;s5;s1s2;s8;s9;s10;s11;s13;s13;s3s15;s16;s4s17s18;s3;s4;s5;s6;s7;s7;s8;s8;s9;s9;s10;s11;s11;s12;s12;s12;s14;s14;s14;s15;s16;s18;s20;s20;s20;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-22186.inp" -scrdir="/scratch/" chk=000239559-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 000239559 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 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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| 0.000177 0.000051 0.124168 0.025280 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.595921e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1737.0251866986 262 608 262 80 80 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 47 47 47 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 0 0 0 268.17949999999985 AuxInfo=1/0/N:14,12,21,20,11,9,8,16,18,15,7,5,13,6,19,17,10,4,3,2,1/CRV:8.3,9.3,10.3,13.3,15.3,16.3/rA:47OOOOCCCCCCCCC3CC3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s1s5;s2s5;s6;s5;s1s2;s8;s9;s10;s11;s13;s13;s3s15;s16;s4s17s18;s3;s4;s5;s6;s7;s7;s8;s8;s9;s9;s10;s11;s11;s12;s12;s12;s14;s14;s14;s15;s16;s18;s20;s20;s20;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.422809 0.000000 6.128167 5.092913 0.000000 6.419073 6.376978 2.650303 0.000000 2.497428 2.490334 7.504753 8.432686 0.000000 1.496860 2.916056 7.420072 7.895808 1.558859 0.000000 2.862374 1.478809 6.514739 7.826896 1.547528 2.533503 0.000000 2.525749 3.799086 8.099424 8.531606 2.615310 1.545976 3.234825 0.000000 3.114180 3.088904 7.709749 8.583067 1.551795 2.559874 2.577710 3.937279 0.000000 1.460238 1.468226 5.021423 5.751198 2.886452 2.462575 2.403512 3.137617 3.676551 0.000000 3.028194 4.863418 8.466743 8.445060 3.989928 2.580374 4.619083 1.545182 5.108776 3.814126 0.000000 4.545151 3.839936 8.328568 9.528273 2.601436 3.961883 3.149613 5.173840 1.543473 4.819118 6.486724 0.000000 2.418547 2.431285 3.768322 4.238637 4.280550 3.782000 3.742895 4.465308 4.761930 1.514198 4.792409 5.861537 0.000000 4.466825 6.015485 9.434089 9.413966 5.183291 3.954647 5.650873 2.568585 6.447285 4.998089 1.543142 7.720884 5.942199 0.000000 3.699315 2.791121 2.488687 3.699925 5.113649 4.944512 4.230571 5.630739 5.497578 2.532996 6.096090 6.322737 1.417763 7.150676 0.000000 2.785463 3.701442 4.231675 3.770114 5.112240 4.259713 4.896302 4.874195 5.491679 2.539771 4.773560 6.756093 1.407255 5.928923 2.443346 0.000000 4.840194 4.176918 1.401293 2.400716 6.460837 6.197269 5.631374 6.874283 6.723793 3.833980 7.152549 7.538024 2.455485 8.171433 1.409304 2.832940 0.000000 4.181194 4.836107 3.697681 2.494185 6.462286 5.665663 6.151149 6.268774 6.721806 3.838088 6.061048 7.909693 2.445294 7.123066 2.820082 1.414999 2.453622 0.000000 5.040280 5.040769 2.399318 1.400666 7.052468 6.507843 6.472267 7.152930 7.272210 4.354004 7.140727 8.269160 2.840685 8.161653 2.457650 2.456221 1.432804 1.411733 0.000000 6.473670 4.909401 1.463543 4.113632 7.388126 7.581757 6.198747 8.255092 7.613944 5.214721 8.855714 7.994394 4.285061 9.788426 2.867543 5.117270 2.441453 4.894344 3.734513 0.000000 7.041715 7.421938 4.113273 1.463261 9.256760 8.533096 8.832770 9.126830 9.373666 6.613827 8.814387 10.436744 5.127363 9.751195 4.898685 4.291871 3.735784 2.877143 2.441808 5.576332 0.000000 3.436600 3.426193 8.503925 9.491149 1.111701 2.176171 2.160855 2.712470 2.177412 3.836542 4.180094 2.811060 5.295433 5.157105 6.113991 6.118741 7.486885 7.493768 8.103188 8.306396 10.313461 0.000000 2.038919 3.810859 8.111902 8.347302 2.186048 1.106640 3.472040 2.166322 2.629139 3.332858 2.772435 4.102029 4.452030 4.212029 5.687749 4.673039 6.846013 6.028197 6.997401 8.374642 8.847273 2.639575 0.000000 3.269923 2.123923 6.803874 8.133589 2.204032 2.830067 1.112148 2.960288 3.538785 2.664564 4.346755 4.103834 4.046574 5.119152 4.532249 5.188063 5.933540 6.452073 6.779449 6.460125 9.140317 2.456406 3.881215 0.000000 3.851175 2.063932 6.772776 8.353374 2.208051 3.508304 1.100882 4.248857 2.779763 3.327761 5.683411 2.768119 4.492389 6.675475 4.712623 5.730460 6.069955 6.895437 7.054661 6.246685 9.450573 2.582672 4.331686 1.796814 0.000000 2.858966 3.506965 7.668875 8.322370 2.885673 2.203735 2.948400 1.108437 4.373056 2.922900 2.179494 5.455694 4.264139 2.779933 5.258902 4.873225 6.531553 6.225267 6.952685 7.715956 9.031418 2.988940 3.099875 2.340040 3.946150 0.000000 3.457748 4.519543 9.096760 9.617448 2.810226 2.158106 3.636567 1.110080 4.092259 4.106156 2.179291 5.156880 5.502631 2.807847 6.619562 5.954352 7.904426 7.356377 8.232378 9.162028 10.221273 2.458688 2.504015 3.326588 4.496136 1.773047 0.000000 2.780232 2.750548 6.859072 7.639173 2.174402 2.799071 2.812944 4.309742 1.105710 3.274122 5.307259 2.184621 4.070213 6.742461 4.752666 4.742812 5.874651 5.868939 6.372203 6.865176 8.418859 3.085358 2.884977 3.858316 3.074651 4.700556 4.709123 0.000000 3.446065 4.037725 8.538857 9.157615 2.168406 2.717245 3.514625 4.043210 1.109093 4.350166 5.034906 2.172543 5.406530 6.389616 6.300237 5.913086 7.472732 7.151115 7.857632 8.561292 9.812413 2.518767 2.327237 4.353222 3.817386 4.718317 4.057901 1.776191 0.000000 2.104120 2.089412 5.447245 6.218685 3.215164 2.692111 2.589463 2.772739 4.350083 1.118027 3.419516 5.441126 2.187714 4.334828 3.054263 3.093553 4.318847 4.346378 4.851526 5.573229 7.072937 3.935246 3.692237 2.355110 3.572461 2.224033 3.753998 4.166700 4.994865 0.000000 3.336773 5.437192 9.087632 8.890064 4.250829 2.800999 5.174764 2.176176 5.115605 4.431083 1.109108 6.538558 5.349358 2.183058 6.720206 5.170115 7.733136 6.427449 7.609499 9.544836 9.146522 4.410562 2.534157 5.079882 6.200888 3.091232 2.517883 5.330827 4.806495 4.262421 0.000000 2.658052 4.602526 7.624649 7.427042 4.279163 2.803769 4.701735 2.174035 5.308931 3.328728 1.106518 6.749174 4.021384 2.186660 5.349943 3.821883 6.285576 5.043282 6.158575 8.139723 7.748395 4.717057 3.083423 4.495187 5.801029 2.545780 3.089201 5.280045 5.339273 2.986681 1.771548 0.000000 5.212481 4.662060 8.773575 9.879431 3.549429 4.744325 4.173095 6.055997 2.192245 5.594463 7.267420 1.105186 6.480018 8.569196 6.911564 7.268619 8.020580 8.334758 8.685931 8.481592 10.735781 3.795484 4.690766 5.172019 3.787946 6.434361 6.041564 2.554380 2.474535 6.330227 7.196856 7.496712 0.000000 4.757251 3.469332 7.715314 9.174018 2.939421 4.380246 2.907213 5.540523 2.208699 4.694603 6.909457 1.105097 5.642867 8.106732 5.867396 6.696274 7.067642 7.775108 7.952788 7.228401 10.199527 3.262157 4.744715 3.869773 2.218638 5.616527 5.634497 2.527948 3.105728 5.303617 7.113042 7.073318 1.777375 0.000000 5.129589 4.488523 9.217818 10.466260 2.839051 4.257340 3.476425 5.231934 2.203488 5.434594 6.617484 1.107366 6.630895 7.711383 7.139559 7.545529 8.418043 8.769911 9.172181 8.822229 11.379113 2.595314 4.388436 4.224871 3.049486 5.508022 4.986666 3.112996 2.573037 5.884143 6.664556 7.043796 1.786406 1.789102 0.000000 5.091289 6.534407 10.326810 10.425798 5.334331 4.277989 5.933907 2.839194 6.595848 5.690437 2.200815 7.763472 6.784724 1.106750 7.980377 6.867838 9.079178 8.115949 9.142714 10.591020 10.796458 5.079234 4.443182 5.377505 6.880733 3.136646 2.625584 7.054959 6.452585 5.046877 2.550415 3.113118 8.614002 8.223298 7.601127 0.000000 4.672085 5.852170 9.056231 9.201745 5.356461 4.279732 5.521595 2.835469 6.748416 4.874412 2.198355 7.943006 5.787947 1.106621 6.857439 5.913487 7.873679 7.063688 7.967603 9.334275 9.633426 5.348186 4.781109 4.821933 6.518398 2.592236 3.178830 7.017272 6.862505 4.017566 3.109755 2.555255 8.868459 8.188384 7.937731 1.786055 0.000000 5.099820 6.844262 9.863756 9.563786 6.120755 4.774627 6.619647 3.532166 7.293085 5.693344 2.201097 8.637143 6.441840 1.105304 7.683654 6.201208 8.574654 7.270540 8.391889 10.350224 9.743929 6.162320 4.895623 6.132732 7.671887 3.799928 3.821026 7.504925 7.162680 5.076766 2.531664 2.533115 9.432481 9.052373 8.676860 1.786800 1.785756 0.000000 4.032263 2.420887 2.776516 4.581949 4.903992 5.045401 3.771117 5.724608 5.320454 2.707680 6.430647 5.921988 2.162818 7.439404 1.092654 3.422169 2.183079 3.912263 3.456791 2.557971 5.873511 5.832118 5.891453 4.057303 4.053090 5.237671 6.616386 4.681337 6.250683 3.130201 7.113914 5.825807 6.569014 5.315073 6.688030 8.175767 7.074133 8.093507 0.000000 2.436255 4.056096 5.324422 4.669970 4.925518 3.811490 5.016503 4.353328 5.331993 2.741430 4.018540 6.734564 2.164920 5.226878 3.431509 1.093111 3.925841 2.183019 3.447048 6.185213 4.949786 5.864883 4.043895 5.285773 5.952525 4.554097 5.409812 4.684418 5.565279 3.218222 4.272020 3.053965 7.236731 6.848368 7.454959 6.157211 5.379624 5.415386 4.317431 0.000000 4.809157 5.800473 4.574665 2.770861 7.207498 6.261156 7.052867 6.809802 7.423264 4.708071 6.379908 8.685391 3.430118 7.396853 3.914046 2.170180 3.449979 1.094042 2.177268 5.866097 2.556366 8.218636 6.480443 7.347539 7.845270 6.871250 7.887449 6.571742 7.724595 5.178122 6.627669 5.325379 9.054578 8.642206 9.542578 8.415100 7.427179 7.388759 5.006072 2.503074 0.000000 6.148548 4.408842 2.133335 4.636223 6.815235 7.177733 5.661543 8.004728 6.879432 4.961892 8.739173 7.130312 4.194495 9.778292 2.848210 5.152573 2.761374 5.109396 4.095408 1.107601 6.070986 7.736057 7.930269 6.074772 5.583787 7.538758 8.850328 6.122613 7.849158 5.470133 9.362978 8.104309 7.552590 6.327937 7.987956 10.513427 9.400992 10.409663 2.341550 6.169578 6.116826 0.000000 6.327294 4.660504 2.133713 4.643204 7.136764 7.330322 5.832110 7.826062 7.574213 4.951879 8.456941 7.969191 4.207787 9.260140 2.854392 5.170261 2.767273 5.126157 4.105847 1.107900 6.084974 7.974755 8.220128 5.915840 5.907875 7.167293 8.708819 6.947474 8.552305 5.099934 9.241250 7.786150 8.583055 7.190848 8.696718 10.040908 8.708674 9.854554 2.357684 6.195882 6.136796 1.807919 0.000000 7.565661 5.976280 2.045832 4.512207 8.446798 8.677259 7.233330 9.348587 8.623968 6.314639 9.940221 8.919559 5.354457 10.846721 3.941083 6.101981 3.319763 5.723618 4.445011 1.099993 5.936127 9.352533 9.462974 7.486074 7.207956 8.788965 10.250057 7.862424 9.580369 6.654925 10.634290 9.207877 9.358729 8.105184 9.752053 11.658262 10.363072 11.390978 3.651334 7.184658 6.620209 1.806354 1.806038 0.000000 6.831557 7.414868 4.633192 2.133821 9.064026 8.316928 8.802129 9.030356 9.034996 6.606030 8.698317 10.122209 5.168973 9.743211 5.119206 4.206712 4.097682 2.859137 2.763066 6.069047 1.107893 10.136628 8.503250 9.213222 9.426013 9.065436 10.098269 8.045758 9.381449 7.191988 8.902973 7.659520 10.329816 9.969939 11.092490 10.757680 9.748102 9.724219 6.126103 4.728983 2.347490 6.387359 6.654308 6.497107 0.000000 8.101999 8.343764 4.510876 2.045088 10.265960 9.595422 9.779771 10.196228 10.349290 7.614301 9.899036 11.351078 6.110689 10.808426 5.725964 5.360304 4.445648 3.950073 3.319250 5.935246 1.099920 11.329940 9.922949 10.088608 10.343544 10.066288 11.292367 9.371720 10.815149 8.063679 10.243647 8.829678 11.620288 11.062606 12.314651 11.861279 10.656449 10.788279 6.626777 6.046869 3.650044 6.500136 6.512742 6.101230 1.805527 0.000000 6.989036 7.575676 4.647542 2.134226 9.312210 8.446966 8.921525 8.869350 9.578516 6.600595 8.404992 10.737882 5.179847 9.213201 5.130532 4.216226 4.108703 2.867033 2.769982 6.088819 1.108035 10.324499 8.768884 9.118121 9.633598 8.759144 9.972434 8.693188 9.977743 6.917052 8.762322 7.309962 11.113091 10.550157 11.621852 10.288038 9.075229 9.113195 6.145360 4.746031 2.355503 6.657874 6.424067 6.518811 1.809152 1.805443 0.000000 C17H26O4 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 0 0 0 268.17949999999985 AuxInfo=1/0/N:14,12,21,20,11,9,8,16,18,15,7,5,13,6,19,17,10,4,3,2,1/CRV:8.3,9.3,10.3,13.3,15.3,16.3/rA:47OOOOCCCCCCCCC3CC3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s1s5;s2s5;s6;s5;s1s2;s8;s9;s10;s11;s13;s13;s3s15;s16;s4s17s18;s3;s4;s5;s6;s7;s7;s8;s8;s9;s9;s10;s11;s11;s12;s12;s12;s14;s14;s14;s15;s16;s18;s20;s20;s20;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4110053 0.1543857 0.1272954 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= 15931 NPrTT= 79920 LenC2= 13629 LenP2D= 42011. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 262 RedAO= T EigKep= 4.47D-04 NBF= 262 NBsUse= 262 1.00D-06 EigRej= -1.00D+00 NBFU= 262 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= 250 250 251 252 252 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 0 1 -962.628923653861 -962.737179910954 -0.108256257093 -962.973927749390 -0.236747838437 -962.978786736574 -0.004858987184 -963.004459083794 -0.025672347220 -963.006308474938 -0.001849391143 -963.006424132464 -0.000115657527 -963.006434215578 -0.000010083113 -963.006539667943 -0.000105452365 -963.006539625239 0.000000042704 -963.006540079525 -0.000000454286 -963.006540154011 -0.000000074486 -963.006540162794 -0.000000008783 -963.006540163211 -0.000000000417 -963.006540163272 -0.000000000061 -963.006540163284 -0.000000000012 -963.006540163 16 9.582169099970e+02 -5.720972643610e+03 2.062724006751e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=602845583. IVT= 228160 IEndB= 228160 NGot= 939524096 MDV= 345774106 LenX= 345774106 LenY= 345705021 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= 34453 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= 47. Will process 48 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111 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= 939523360 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=602631136. 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= 34453 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 144 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 141 vectors produced by pass 0 Test12= 1.46D-14 1.00D-09 XBig12= 3.66D+02 1.16D+01. AX will form 141 AO Fock derivatives at one time. 141 vectors produced by pass 1 Test12= 1.46D-14 1.00D-09 XBig12= 1.63D+02 2.82D+00. 141 vectors produced by pass 2 Test12= 1.46D-14 1.00D-09 XBig12= 8.87D-01 9.96D-02. 141 vectors produced by pass 3 Test12= 1.46D-14 1.00D-09 XBig12= 4.14D-04 1.71D-03. 70 vectors produced by pass 4 Test12= 1.46D-14 1.00D-09 XBig12= 2.38D-08 9.08D-06. 5 vectors produced by pass 5 Test12= 1.46D-14 1.00D-09 XBig12= 1.39D-12 7.00D-08. 1 vectors produced by pass 6 Test12= 1.46D-14 1.00D-09 XBig12= 7.52D-16 1.73D-09. InvSVY: IOpt=1 It= 1 EMax= 1.60D-14 Solved reduced A of dimension 640 with 144 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 202.64 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 253.678 -3.058 200.527 -4.239 20.831 153.725 410.163 7.795 320.485 -4.891 64.377 264.498 (Enter /mnt/data/applications/G09/g09/l716.exe) PT4601.900S Sun Feb 4 17:36:45 2018 -18.78162 -18.77958 -18.76400 -18.76130 -9.99105 -9.95329 -9.95235 -9.94975 -9.94359 -9.94215 -9.93944 -9.90775 -9.90074 -9.89727 -9.89586 -9.89254 -9.89116 -9.88957 -9.88741 -9.88273 -9.88120 -0.96596 -0.96473 -0.94910 -0.90224 -0.76880 -0.74359 -0.70982 -0.69221 -0.67185 -0.66256 -0.63785 -0.63072 -0.62588 -0.59506 -0.58474 -0.54676 -0.53572 -0.52301 -0.51236 -0.48840 -0.47728 -0.45460 -0.44664 -0.43358 -0.42242 -0.41775 -0.41431 -0.40701 -0.40431 -0.39766 -0.39496 -0.39327 -0.38139 -0.37038 -0.36550 -0.35977 -0.35700 -0.35212 -0.34517 -0.33262 -0.33080 -0.32615 -0.31796 -0.31173 -0.29973 -0.29754 -0.29229 -0.28423 -0.27832 -0.27669 -0.27157 -0.26643 -0.26259 -0.26128 -0.25949 -0.21237 -0.20891 -0.20014 -0.16774 -0.02101 -0.01556 0.03830 0.05239 0.06544 0.07073 0.07990 0.08060 0.09560 0.09838 0.10027 0.10665 0.11011 0.11405 0.11524 0.12263 0.12407 0.13580 0.14058 0.14690 0.14909 0.15447 0.15829 0.16195 0.16601 0.17214 0.17626 0.17654 0.17844 0.18325 0.18547 0.18887 0.19027 0.19387 0.19802 0.20533 0.20843 0.21183 0.21364 0.21966 0.22150 0.22893 0.23728 0.24092 0.24587 0.24917 0.25508 0.26923 0.27261 0.27563 0.28216 0.28450 0.29137 0.29591 0.29981 0.30192 0.30796 0.31385 0.31731 0.32080 0.32500 0.33140 0.33667 0.33857 0.35204 0.35645 0.36685 0.36792 0.37959 0.38429 0.39227 0.39706 0.40581 0.40654 0.41739 0.42225 0.42693 0.43164 0.44088 0.45020 0.45496 0.45961 0.47317 0.48362 0.48788 0.49495 0.49886 0.50471 0.51091 0.52350 0.54467 0.55093 0.58208 0.59029 0.59700 0.61666 0.62786 0.64706 0.65940 0.67185 0.71337 0.72791 0.73843 0.75607 0.77704 0.80130 0.84552 0.85124 0.85712 0.86382 0.87274 0.88428 0.89264 0.91037 0.91775 0.92725 0.94269 0.96655 0.97956 0.98660 0.99752 1.01654 1.02505 1.03224 1.04368 1.04839 1.05634 1.05861 1.06251 1.07416 1.08039 1.08455 1.08776 1.09577 1.09594 1.10715 1.11310 1.13213 1.15173 1.15741 1.16424 1.17706 1.18629 1.19898 1.20217 1.23174 1.23951 1.25467 1.27244 1.30439 1.33107 1.37771 1.38837 1.41402 1.44330 1.47785 1.49998 1.77498 1.78818 1.81298 1.83661 22.31147 22.46354 22.52058 22.52833 22.54469 22.55574 22.58855 22.60033 22.60713 22.63495 22.65171 22.67082 22.67698 22.68195 22.69804 22.74066 22.81046 41.55616 41.56094 41.57490 41.57754 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 45 46 47 O O O O C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.264980 -0.252273 -0.243877 -0.237772 -0.049637 -0.072108 -0.400638 -0.423299 -0.366985 -0.071472 -0.342252 -0.723749 0.399687 -0.698270 -0.528218 -0.432521 0.223755 -0.325655 0.196308 -0.538985 -0.539290 0.181838 0.208932 0.195382 0.230747 0.203600 0.201360 0.247488 0.190074 0.188428 0.193707 0.224750 0.221813 0.222366 0.203894 0.207508 0.210305 0.220420 0.276454 0.257855 0.239086 0.223908 0.218089 0.242830 0.219141 0.244624 0.217635 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 O O O O C C C C C C C C C C C C C C C C C -0.264980 -0.252273 -0.243877 -0.237772 0.132201 0.136824 0.025490 -0.018339 0.070576 0.116956 0.076205 -0.075677 0.399687 -0.060037 -0.251764 -0.174666 0.223755 -0.086569 0.196308 0.145842 0.142110 0.00000 1.15506517e+00 2.58373594e-01 -3.35177073e-01 2.53677630e+02 -3.05781083e+00 2.00527040e+02 -4.23910597e+00 2.08305916e+01 1.53725403e+02 -12.9124 -7.7427 0.0004 0.0006 0.0008 3.8678 12.4333 28.9546 41.2672 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 11.0614 28.8583 41.0373 49.6717 62.1678 67.3913 82.6052 93.1843 116.7899 126.0090 162.9037 167.2632 175.5953 197.2490 212.7733 227.2124 233.5153 234.5064 243.4259 257.5921 279.5635 290.9508 314.0430 342.6221 361.4515 374.0432 388.7987 429.9365 461.5360 480.7727 518.6157 537.1972 545.8799 579.6481 582.0046 622.0920 707.6564 726.6826 735.7143 738.0408 769.4514 783.8740 798.5013 826.2724 832.5788 870.2381 884.7168 893.4885 899.5733 909.2932 919.5443 935.9329 940.3307 981.7196 986.0397 999.4983 1018.6406 1027.7308 1034.3166 1058.3867 1082.8131 1093.3361 1111.3066 1112.0767 1116.1302 1128.6459 1131.9427 1144.0918 1155.3949 1158.4273 1179.8785 1210.3680 1216.5719 1226.2221 1236.3014 1255.8652 1262.2310 1271.4810 1278.0190 1288.6800 1298.7367 1320.9597 1332.8214 1340.1664 1349.2752 1350.4348 1356.2328 1357.5721 1389.7553 1391.1165 1391.4964 1410.5333 1435.4995 1443.9303 1459.8740 1463.2084 1465.0999 1466.2944 1466.5616 1471.9232 1473.0360 1474.4127 1477.1543 1477.5142 1486.2501 1491.6224 1509.2186 1593.9673 1615.7860 2872.5916 2945.6363 2954.2775 2956.7741 2962.6603 2970.1386 2972.1228 2973.1916 2977.9720 2978.5308 3004.8423 3021.5481 3040.3700 3040.6033 3043.2217 3043.8990 3069.4970 3070.2502 3073.0925 3075.4895 3088.6159 3122.5578 3122.9438 3151.2358 3175.1461 3178.8475 3.8148 3.5952 2.4859 1.9667 2.4628 3.6703 2.9214 2.9929 3.3069 3.3971 3.0004 3.1961 3.6002 2.4442 1.6106 1.1767 2.7404 2.1032 1.8711 1.4303 2.1588 3.4765 3.1711 2.9377 4.0454 3.9002 4.0532 2.8260 3.3117 5.8653 3.7735 4.5214 3.4797 4.1330 4.0441 5.4733 2.4610 2.8454 1.7943 2.6478 2.0462 2.5554 1.6909 2.1864 1.8880 2.0200 2.5311 1.7420 2.1237 3.8473 2.0319 2.7460 1.7279 3.8278 6.6773 2.3776 2.5377 2.2480 2.0399 2.6473 2.0202 2.4414 1.2618 1.2620 1.7658 2.0400 2.0364 1.5364 2.1657 1.4085 1.5714 1.2516 1.9771 1.3323 1.3196 1.3111 3.0228 1.3205 1.4269 1.1100 1.3207 1.1631 1.5859 1.3793 1.4091 1.4699 1.5612 1.3414 1.3420 1.3108 2.4441 3.9129 1.1827 1.3861 1.0801 1.0769 1.0502 1.0506 1.0678 1.0907 1.0563 1.0540 1.0597 1.0433 1.0816 1.0534 2.8261 7.7482 6.6952 1.0804 1.0703 1.0331 1.0330 1.0700 1.0599 1.0397 1.0439 1.0646 1.0648 1.0896 1.0916 1.1036 1.1001 1.1036 1.0962 1.1008 1.0986 1.0989 1.0996 1.0936 1.0994 1.0990 1.0879 1.0934 1.0922 0.0003 0.0018 0.0025 0.0029 0.0056 0.0098 0.0117 0.0153 0.0266 0.0318 0.0469 0.0527 0.0654 0.0560 0.0430 0.0358 0.0880 0.0681 0.0653 0.0559 0.0994 0.1734 0.1843 0.2032 0.3114 0.3215 0.3610 0.3078 0.4156 0.7988 0.5980 0.7688 0.6109 0.8182 0.8071 1.2480 0.7261 0.8853 0.5722 0.8498 0.7138 0.9251 0.6352 0.8795 0.7711 0.9013 1.1673 0.8194 1.0125 1.8742 1.0123 1.4172 0.9002 2.1736 3.8251 1.3994 1.5514 1.3989 1.2858 1.7472 1.3956 1.7195 0.9181 0.9196 1.2960 1.5311 1.5373 1.1849 1.7034 1.1137 1.2889 1.0803 1.7241 1.1803 1.1883 1.2184 2.8375 1.2578 1.3732 1.0861 1.3125 1.1957 1.6598 1.4595 1.5114 1.5793 1.6919 1.4566 1.5271 1.4946 2.7882 4.5868 1.4359 1.7027 1.3563 1.3585 1.3282 1.3308 1.3532 1.3922 1.3504 1.3500 1.3623 1.3419 1.4076 1.3810 3.7926 11.5987 10.2986 5.2525 5.4716 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