Gaussian 09 GINC-KIMIK2025 CBGUSER 000239887 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 252.18009999999987 0 1 AuxInfo=1/0/N:14,11,20,12,8,9,18,19,16,17,5,6,7,13,15,10,4,3,1,2/E:(12,13)(19,20)/CRV:7.3,8.3,9.3,10.3,14.3,15.3/rA:46OOOCCCCCCCCCC3CC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s1s4;s2s4;s4;s5;s1s2;s8;s9;s10;s12;s3s13;s13;s15;s16;s17s18;s3;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s11;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-6206.inp" -scrdir="/scratch/" chk=000239887.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 000239887 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 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 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 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 (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 1 1 2 2 3 3 4 4 4 4 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 16 16 17 17 18 18 19 20 20 20 6 10 7 10 15 20 5 6 7 8 9 21 22 23 24 25 26 11 27 28 12 29 30 13 31 32 33 34 14 35 36 15 16 37 38 39 17 18 40 19 41 19 42 43 44 45 46 1.4426 1.4424 1.4432 1.4366 1.3952 1.4526 1.5438 1.551 1.5502 1.5451 1.5337 1.1077 1.1088 1.1024 1.1054 1.1045 1.1026 1.5249 1.1145 1.1068 1.5359 1.1064 1.108 1.5024 1.1094 1.0967 1.0956 1.0967 1.5269 1.1076 1.1077 1.4072 1.401 1.0961 1.096 1.0959 1.4003 1.3982 1.0939 1.3966 1.0874 1.3994 1.0881 1.0897 1.0932 1.0989 1.0948 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 6 7 15 5 5 5 6 6 7 4 4 4 9 9 21 1 1 1 4 4 23 2 2 2 4 4 25 4 4 4 11 11 27 5 5 5 12 12 29 1 1 1 2 2 13 8 8 8 32 32 33 9 9 9 14 14 35 10 10 15 12 12 12 37 37 38 3 3 13 13 13 18 15 15 19 16 16 19 17 17 18 3 3 3 44 44 45 1 2 3 4 4 4 4 4 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 10 10 20 6 7 8 7 8 8 9 21 22 21 22 22 4 23 24 23 24 24 4 25 26 25 26 26 11 27 28 27 28 28 12 29 30 29 30 30 2 13 31 13 31 31 32 33 34 33 34 34 14 35 36 35 36 36 15 16 16 37 38 39 38 39 39 13 17 17 18 40 40 19 41 41 19 42 42 18 43 43 44 45 46 45 46 46 113.8852 113.7238 113.7575 108.4686 109.7537 113.1797 106.8082 109.7077 108.728 113.8473 109.6857 108.8855 109.3268 109.2354 105.5252 110.8927 108.8177 101.9507 112.4253 112.2546 109.9698 110.7109 101.8341 109.0076 112.8207 112.3208 109.6096 114.5817 107.3088 109.585 109.5869 109.5573 105.8402 111.2709 110.3965 109.9875 109.592 109.6738 105.772 108.6199 106.3542 109.7882 107.0983 110.0879 114.6702 111.6863 112.005 110.6733 107.846 107.0055 107.3862 111.6036 109.9714 109.9138 109.6805 109.6685 105.8402 120.5358 121.1169 118.3352 111.6612 111.688 111.1795 107.355 107.3603 107.3587 120.6935 117.3246 121.8051 120.4386 118.8363 120.722 118.7628 119.6258 121.6086 120.3037 119.7481 119.9482 120.3453 119.7057 119.9484 109.2456 110.6646 102.2963 111.2352 111.391 111.6558 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 10 10 10 6 6 6 10 10 10 7 7 7 20 20 15 15 15 6 6 6 7 7 7 8 8 8 5 5 5 7 7 7 8 8 8 5 5 5 6 6 6 8 8 8 5 5 5 6 6 6 7 7 7 4 4 4 21 21 21 22 22 22 4 4 4 27 27 27 28 28 28 5 5 5 29 29 29 30 30 30 1 1 2 2 31 31 9 9 9 35 35 35 36 36 36 10 10 16 16 10 10 15 15 3 3 13 13 13 13 40 40 15 15 41 41 16 16 42 42 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 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 15 15 20 20 20 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 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 4 23 24 2 13 31 4 25 26 1 13 31 13 17 44 45 46 9 21 22 9 21 22 9 21 22 1 23 24 1 23 24 1 23 24 2 25 26 2 25 26 2 25 26 11 27 28 11 27 28 11 27 28 12 29 30 12 29 30 12 29 30 32 33 34 32 33 34 32 33 34 14 35 36 14 35 36 14 35 36 15 16 15 16 15 16 37 38 39 37 38 39 37 38 39 3 17 3 17 18 40 18 40 19 41 19 41 19 42 19 42 18 43 18 43 17 43 17 43 57.8979 -66.2591 177.5776 -58.7208 -173.6946 61.7035 -58.8791 -179.0691 65.1551 59.1834 173.6717 -61.055 80.3934 -104.3529 68.8232 -53.9759 -173.0457 179.0421 56.191 -58.823 62.691 -60.1601 -175.1741 -58.9687 178.1802 63.1662 -170.7451 -48.6697 75.9463 -52.5081 69.5674 -165.8166 65.1684 -172.7562 -48.1402 170.2979 -76.3139 48.1827 52.9049 166.2931 -69.2103 -65.4139 47.9743 172.471 -55.26 -177.177 68.3456 66.0334 -55.8836 -170.3611 -177.4938 60.5892 -53.8883 178.6745 -59.4109 56.937 -58.2782 63.6364 179.9842 56.7329 178.6475 -65.0047 -58.2554 62.8373 -177.3635 62.4111 -176.4961 -56.6969 178.1241 -60.7831 59.0161 179.8887 57.9303 -58.208 57.5084 -64.4501 179.4116 -58.1915 179.85 63.7117 -87.4444 93.8409 156.5534 -22.1614 34.0922 -144.6225 59.9706 -60.2521 179.8512 -177.9033 61.8739 -58.0227 -62.074 177.7032 57.8066 -2.7916 -177.8293 175.9584 0.9207 177.8388 -1.5253 -0.9036 179.7324 -175.3641 4.0444 -0.1668 179.2417 0.1499 -179.7538 179.5018 -0.4019 -0.6148 179.6495 179.9889 0.2532 0.6283 -179.6366 -179.4681 0.2669 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 263 276 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 46 46 46 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= 14878 NPrTT= 74418 LenC2= 12939 LenP2D= 40591. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 252 RedAO= T EigKep= 6.18D-04 NBF= 252 NBsUse= 252 1.00D-06 EigRej= -1.00D+00 NBFU= 252 Using GEDIIS/GDIIS optimizer. local minimum Step number 11 out of a maximum of 263 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00169 0.00251 0.00291 0.00325 0.00367 0.00408 0.00426 0.00598 0.00842 0.01149 0.01375 0.01735 0.01829 0.02026 0.02097 0.02100 0.02106 0.02110 0.02112 0.02121 0.02675 0.03307 0.03477 0.03484 0.03516 0.03718 0.04279 0.04518 0.04700 0.04779 0.04792 0.04810 0.05063 0.05361 0.05490 0.05539 0.05566 0.05633 0.05795 0.06636 0.06974 0.08098 0.08279 0.08391 0.08886 0.08895 0.09209 0.10105 0.10258 0.10654 0.11633 0.11766 0.12149 0.12160 0.12245 0.12581 0.12652 0.12965 0.15444 0.15720 0.15827 0.15895 0.15938 0.15998 0.15999 0.16000 0.16000 0.16000 0.16004 0.16020 0.16046 0.16066 0.16634 0.19688 0.21038 0.21556 0.21896 0.21998 0.22036 0.22159 0.22676 0.22957 0.24499 0.24958 0.26646 0.27142 0.28155 0.28563 0.28906 0.29144 0.29531 0.29824 0.30430 0.31996 0.32373 0.32535 0.32719 0.32799 0.32838 0.32853 0.32874 0.32930 0.33044 0.33080 0.33215 0.33260 0.33368 0.33452 0.33955 0.34054 0.34121 0.34128 0.34138 0.34243 0.34299 0.34371 0.34407 0.34546 0.34907 0.35082 0.35096 0.36497 0.36987 0.38715 0.40152 0.41764 0.43316 0.45540 0.45722 0.45921 0.46884 0.48224 RFO step: Lambda=-7.23551002D-08. 1 2 0.00087895 0.00000044 0.00000038 0.00000006 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 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 2.79439 2.79883 2.79386 2.75080 2.68356 2.79489 2.94292 2.93934 2.94000 2.94543 2.92329 2.10098 2.09740 2.10628 2.08274 2.08197 2.10523 2.91732 2.08887 2.09481 2.92216 2.09597 2.09425 2.85191 2.10750 2.08865 2.08979 2.08893 2.91719 2.09647 2.09654 2.68068 2.67237 2.09087 2.09087 2.08898 2.66894 2.66840 2.06665 2.66871 2.06984 2.67418 2.06992 2.07089 2.09359 2.08933 2.08095 1.91063 1.92870 1.99160 1.88048 1.91418 1.97649 1.84843 1.93609 1.90376 2.02767 1.89716 1.89737 1.89362 1.89426 1.84530 1.95262 1.90608 1.83697 1.91349 1.95417 1.89831 1.95168 1.82599 1.90365 1.95505 1.91910 1.90565 2.02298 1.87864 1.89218 1.90535 1.90311 1.85430 1.95960 1.92508 1.91926 1.89844 1.90049 1.85794 1.92870 1.89216 1.87140 1.90986 1.91052 1.95101 1.95271 1.96042 1.92109 1.88400 1.86739 1.87410 1.97071 1.90676 1.90406 1.91217 1.91235 1.85413 2.08572 2.12174 2.07572 1.93751 1.93796 1.94575 1.87791 1.88117 1.88072 2.08538 2.08739 2.10926 2.10405 2.06607 2.11299 2.08871 2.07705 2.11721 2.09477 2.09297 2.09543 2.09383 2.09148 2.09782 1.93289 1.91796 1.84369 1.92116 1.91518 1.93177 1.04488 -1.07671 -3.11213 -1.07127 3.11893 1.00980 -1.03499 3.12846 1.09140 1.06873 -3.13214 -0.98850 1.70839 -1.48428 1.03643 -1.08989 3.10892 -3.13248 1.00997 -0.99074 1.14645 -0.99429 -2.99500 -0.98454 -3.12527 1.15721 -3.01431 -0.89700 1.21152 -0.96692 1.15039 -3.02428 1.09641 -3.06946 -0.96095 2.97735 -1.26242 0.85987 0.95270 2.99612 -1.16478 -1.13202 0.91140 3.03369 -0.97793 -3.11618 1.16804 1.13899 -0.99926 -2.99823 -3.11472 1.03022 -0.96875 3.12429 -1.03852 1.00539 -1.01631 1.10407 -3.13520 0.98091 3.10129 -1.13799 -1.06028 1.06188 -3.13409 1.06381 -3.09722 -1.01000 3.08269 -1.07833 1.00889 -3.13881 1.01192 -1.00807 1.00882 -1.12364 3.13956 -1.00920 3.14153 1.12154 -1.38836 1.75798 2.79011 -0.34674 0.67074 -2.46610 1.03935 -1.04892 3.13694 -3.11442 1.08050 -1.01683 -1.08673 3.10819 1.01086 -0.05198 3.14136 3.08499 -0.00486 -3.13672 0.01799 0.00960 -3.11888 -3.09173 0.02808 -0.00194 3.11788 -0.00756 3.14124 3.12057 -0.01382 0.00408 3.13539 -3.11522 0.01609 0.00062 -3.13066 3.13500 0.00372 0.00005 -0.00005 0.00003 0.00010 -0.00002 -0.00001 0.00001 -0.00001 -0.00001 -0.00002 0.00001 0.00000 0.00000 -0.00002 0.00000 0.00000 -0.00002 0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00001 -0.00004 -0.00002 -0.00001 -0.00002 -0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00002 0.00000 -0.00002 -0.00001 -0.00002 -0.00001 -0.00001 -0.00002 0.00000 0.00000 0.00001 -0.00001 -0.00003 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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0.00002 0.00000 -0.00001 0.00004 -0.00001 -0.00001 -0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00003 0.00000 0.00000 -0.00002 -0.00001 0.00001 0.00005 -0.00009 0.00004 0.00003 -0.00005 0.00000 0.00002 0.00001 -0.00001 0.00000 -0.00001 0.00003 -0.00003 0.00001 0.00000 -0.00002 -0.00002 -0.00017 0.00010 0.00004 0.00006 0.00006 -0.00011 0.00000 -0.00004 0.00005 0.00004 0.00001 -0.00002 0.00001 0.00002 0.00001 -0.00003 0.00003 -0.00004 0.00003 0.00000 0.00001 -0.00002 -0.00006 -0.00001 0.00020 -0.00021 -0.00003 0.00012 0.00000 0.00001 0.00001 0.00000 -0.00002 -0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00001 -0.00005 0.00002 0.00003 0.00000 0.00000 0.00003 0.00000 -0.00002 -0.00001 -0.00004 0.00006 -0.00003 -0.00002 0.00001 0.00001 -0.00001 0.00002 -0.00002 0.00000 0.00002 -0.00002 0.00002 0.00001 -0.00003 0.00005 -0.00006 0.00021 -0.00001 -0.00006 -0.00013 0.00004 -0.00006 -0.00003 -0.00010 0.00020 -0.00005 0.00000 0.00008 0.00010 0.00004 -0.00014 -0.00014 0.00068 0.00068 -0.00075 -0.00074 -0.00067 -0.00050 -0.00045 -0.00046 -0.00052 -0.00046 -0.00048 -0.00047 -0.00042 -0.00043 0.00012 0.00014 0.00032 0.00009 0.00011 0.00028 0.00010 0.00012 0.00029 0.00002 -0.00011 -0.00006 -0.00001 -0.00014 -0.00008 -0.00002 -0.00015 -0.00010 0.00039 0.00037 0.00042 0.00043 0.00042 0.00046 0.00046 0.00044 0.00049 -0.00006 -0.00008 -0.00011 -0.00010 -0.00012 -0.00015 -0.00011 -0.00013 -0.00016 0.00059 0.00060 0.00060 0.00058 0.00059 0.00060 0.00056 0.00058 0.00058 -0.00020 -0.00020 -0.00019 -0.00016 -0.00016 -0.00015 -0.00014 -0.00014 -0.00013 0.00038 0.00032 0.00059 0.00053 0.00069 0.00063 -0.00002 -0.00002 -0.00002 -0.00001 0.00000 -0.00001 -0.00002 -0.00002 -0.00002 -0.00009 -0.00010 -0.00003 -0.00004 0.00009 -0.00003 0.00003 -0.00009 0.00000 -0.00007 0.00001 -0.00007 0.00000 -0.00008 0.00013 0.00004 0.00003 -0.00005 0.00011 0.00002 -0.00004 0.00005 0.00005 0.00014 0.00018 -0.00031 0.00006 0.00044 -0.00016 -0.00015 0.00001 -0.00004 0.00001 -0.00007 0.00004 0.00000 -0.00001 -0.00006 -0.00002 0.00001 -0.00004 0.00004 -0.00002 -0.00002 0.00002 -0.00003 -0.00002 -0.00013 -0.00004 -0.00004 -0.00005 -0.00003 0.00003 -0.00002 -0.00002 0.00004 -0.00002 -0.00004 -0.00004 -0.00003 0.00000 -0.00005 0.00000 -0.00004 -0.00001 -0.00004 -0.00002 -0.00002 -0.00003 -0.00001 0.00000 0.00005 -0.00014 0.00001 0.00005 -0.00004 -0.00001 -0.00004 0.00001 0.00003 0.00000 0.00003 0.00005 -0.00009 0.00002 -0.00002 -0.00009 -0.00009 -0.00015 0.00013 0.00015 0.00003 0.00005 -0.00013 0.00000 0.00000 0.00005 0.00001 -0.00003 0.00000 0.00004 0.00000 0.00001 -0.00001 -0.00001 -0.00006 0.00007 0.00000 0.00001 -0.00001 -0.00021 0.00017 0.00026 -0.00020 -0.00017 0.00017 -0.00002 0.00001 0.00003 0.00000 -0.00003 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00006 0.00002 0.00004 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00006 -0.00006 -0.00002 0.00001 0.00001 0.00001 -0.00003 0.00002 0.00000 0.00002 -0.00002 0.00003 0.00000 -0.00003 0.00004 0.00006 0.00024 -0.00006 -0.00010 -0.00019 0.00029 0.00024 0.00033 -0.00033 -0.00006 -0.00051 -0.00010 -0.00005 0.00000 0.00020 0.00015 0.00012 -0.00078 -0.00060 -0.00001 -0.00001 0.00004 -0.00096 -0.00088 -0.00090 -0.00092 -0.00083 -0.00086 -0.00092 -0.00083 -0.00086 0.00007 -0.00001 0.00022 0.00003 -0.00006 0.00017 0.00004 -0.00004 0.00019 0.00007 -0.00006 -0.00001 0.00005 -0.00008 -0.00002 0.00005 -0.00008 -0.00003 0.00047 0.00049 0.00048 0.00054 0.00056 0.00055 0.00051 0.00053 0.00052 -0.00033 -0.00037 -0.00038 -0.00035 -0.00040 -0.00040 -0.00041 -0.00045 -0.00046 0.00131 0.00131 0.00134 0.00129 0.00129 0.00132 0.00128 0.00128 0.00131 -0.00035 -0.00034 -0.00035 -0.00027 -0.00026 -0.00027 -0.00026 -0.00025 -0.00027 -0.00008 -0.00010 0.00020 0.00018 0.00044 0.00042 0.00003 0.00005 0.00005 0.00004 0.00006 0.00005 0.00004 0.00006 0.00006 0.00030 0.00012 0.00032 0.00014 -0.00009 -0.00015 -0.00011 -0.00017 -0.00026 -0.00027 -0.00008 -0.00009 0.00001 -0.00007 0.00007 -0.00001 -0.00002 -0.00001 -0.00001 0.00001 0.00006 0.00004 0.00014 0.00012 2.79458 2.79852 2.79392 2.75124 2.68340 2.79473 2.94293 2.93930 2.94001 2.94536 2.92334 2.10097 2.09739 2.10622 2.08272 2.08198 2.10519 2.91736 2.08886 2.09479 2.92218 2.09595 2.09422 2.85178 2.10746 2.08861 2.08975 2.08890 2.91722 2.09646 2.09652 2.68072 2.67236 2.09083 2.09083 2.08894 2.66894 2.66835 2.06665 2.66866 2.06983 2.67414 2.06990 2.07087 2.09356 2.08932 2.08096 1.91067 1.92856 1.99161 1.88053 1.91413 1.97648 1.84839 1.93610 1.90378 2.02767 1.89720 1.89742 1.89353 1.89427 1.84529 1.95253 1.90599 1.83682 1.91362 1.95432 1.89834 1.95173 1.82586 1.90365 1.95504 1.91916 1.90567 2.02294 1.87864 1.89221 1.90535 1.90312 1.85429 1.95959 1.92502 1.91933 1.89844 1.90050 1.85793 1.92848 1.89233 1.87166 1.90966 1.91035 1.95118 1.95268 1.96044 1.92112 1.88401 1.86737 1.87410 1.97071 1.90677 1.90405 1.91216 1.91235 1.85414 2.08565 2.12177 2.07576 1.93750 1.93795 1.94577 1.87791 1.88118 1.88073 2.08540 2.08745 2.10919 2.10403 2.06607 2.11301 2.08873 2.07702 2.11723 2.09477 2.09298 2.09541 2.09386 2.09148 2.09780 1.93294 1.91803 1.84394 1.92110 1.91508 1.93159 1.04517 -1.07646 -3.11180 -1.07160 3.11887 1.00929 -1.03509 3.12841 1.09140 1.06894 -3.13199 -0.98838 1.70762 -1.48488 1.03642 -1.08990 3.10896 -3.13345 1.00910 -0.99164 1.14552 -0.99512 -2.99585 -0.98546 -3.12610 1.15635 -3.01424 -0.89701 1.21173 -0.96689 1.15034 -3.02411 1.09646 -3.06950 -0.96076 2.97741 -1.26247 0.85986 0.95275 2.99604 -1.16481 -1.13197 0.91132 3.03366 -0.97746 -3.11569 1.16852 1.13953 -0.99870 -2.99768 -3.11421 1.03075 -0.96823 3.12396 -1.03889 1.00501 -1.01666 1.10367 -3.13561 0.98050 3.10083 -1.13845 -1.05897 1.06319 -3.13275 1.06510 -3.09593 -1.00868 3.08398 -1.07705 1.01020 -3.13916 1.01157 -1.00842 1.00856 -1.12390 3.13929 -1.00946 3.14127 1.12127 -1.38844 1.75788 2.79030 -0.34656 0.67118 -2.46568 1.03938 -1.04887 3.13698 -3.11438 1.08055 -1.01678 -1.08668 3.10825 1.01092 -0.05167 3.14148 3.08531 -0.00472 -3.13680 0.01784 0.00949 -3.11905 -3.09199 0.02781 -0.00202 3.11779 -0.00755 3.14117 3.12064 -0.01383 0.00406 3.13539 -3.11523 0.01610 0.00067 -3.13062 3.13513 0.00384 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000103 0.000012 0.004328 0.000879 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.250543e-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 1 1 2 2 3 3 4 4 4 4 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 16 16 17 17 18 18 19 20 20 20 6 10 7 10 15 20 5 6 7 8 9 21 22 23 24 25 26 11 27 28 12 29 30 13 31 32 33 34 14 35 36 15 16 37 38 39 17 18 40 19 41 19 42 43 44 45 46 1.4787 1.4811 1.4784 1.4557 1.4201 1.479 1.5573 1.5554 1.5558 1.5587 1.5469 1.1118 1.1099 1.1146 1.1021 1.1017 1.114 1.5438 1.1054 1.1085 1.5463 1.1091 1.1082 1.5092 1.1152 1.1053 1.1059 1.1054 1.5437 1.1094 1.1094 1.4186 1.4142 1.1064 1.1064 1.1054 1.4123 1.4121 1.0936 1.4122 1.0953 1.4151 1.0954 1.0959 1.1079 1.1056 1.1012 -DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 6 7 15 5 5 5 6 6 7 4 4 4 9 9 21 1 1 1 4 4 23 2 2 2 4 4 25 4 4 4 11 11 27 5 5 5 12 12 29 1 1 1 2 2 13 8 8 8 32 32 33 9 9 9 14 14 35 10 10 15 12 12 12 37 37 38 3 3 13 13 13 18 15 15 19 16 16 19 17 17 18 3 3 3 44 44 45 1 2 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 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119.4837 119.5989 120.8514 120.553 118.377 121.0657 119.6744 119.0063 121.3072 120.0213 119.9182 120.0592 119.9679 119.8331 120.1964 110.7467 109.8912 105.6359 110.0743 109.7316 110.6825 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 10 10 10 6 6 6 10 10 10 7 7 7 20 20 15 15 15 6 6 6 7 7 7 8 8 8 5 5 5 7 7 7 8 8 8 5 5 5 6 6 6 8 8 8 5 5 5 6 6 6 7 7 7 4 4 4 21 21 21 22 22 22 4 4 4 27 27 27 28 28 28 5 5 5 29 29 29 30 30 30 1 1 2 2 31 31 9 9 9 35 35 35 36 36 36 10 10 16 16 10 10 15 15 3 3 13 13 13 13 40 40 15 15 41 41 16 16 42 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 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 15 15 20 20 20 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 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 4 23 24 2 13 31 4 25 26 1 13 31 13 17 44 45 46 9 21 22 9 21 22 9 21 22 1 23 24 1 23 24 1 23 24 2 25 26 2 25 26 2 25 26 11 27 28 11 27 28 11 27 28 12 29 30 12 29 30 12 29 30 32 33 34 32 33 34 32 33 34 14 35 36 14 35 36 14 35 36 15 16 15 16 15 16 37 38 39 37 38 39 37 38 39 3 17 3 17 18 40 18 40 19 41 19 41 19 42 19 42 18 43 18 43 17 43 17 59.8671 -61.6907 -178.312 -61.3793 178.7017 57.8575 -59.3004 179.2475 62.5327 61.234 -179.4584 -56.637 97.8837 -85.0431 59.383 -62.4459 178.1283 -179.478 57.8671 -56.765 65.6865 -56.9684 -171.6006 -56.4098 -179.0648 66.3031 -172.7071 -51.3941 69.4149 -55.4004 65.9126 -173.2784 62.8199 -175.8671 -55.0581 170.5895 -72.3311 49.2667 54.5856 171.665 -66.7371 -64.8599 52.2196 173.8174 -56.0312 -178.544 66.9235 65.2595 -57.2532 -171.7858 -178.4602 59.0271 -55.5055 179.0084 -59.5028 57.6047 -58.2302 63.2586 -179.6339 56.202 177.6908 -65.2018 -60.7496 60.8413 -179.5699 60.9516 -177.4575 -57.8686 176.6254 -61.7837 57.8051 -179.8407 57.9785 -57.7582 57.8012 -64.3796 179.8836 -57.8229 179.9963 64.2595 -79.5472 100.7249 159.8613 -19.8665 38.4304 -141.2974 59.5504 -60.0988 179.7333 -178.4429 61.9079 -58.26 -62.2648 178.086 57.9181 -2.978 179.9864 176.7571 -0.2785 -179.7206 1.0308 0.55 -178.6986 -177.1432 1.6091 -0.111 178.6413 -0.4329 179.9799 178.7953 -0.7919 0.2337 179.6447 -178.4892 0.9219 0.0355 -179.3734 179.6221 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 252.18009999999987 AuxInfo=1/0/N:14,11,20,12,8,9,18,19,16,17,5,6,7,13,15,10,4,3,1,2/E:(12,13)(19,20)/CRV:7.3,8.3,9.3,10.3,14.3,15.3/rA:46OOOCCCCCCCCCC3CC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s1s4;s2s4;s4;s5;s1s2;s8;s9;s10;s12;s3s13;s13;s15;s16;s17s18;s3;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s11;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.338275 0.000000 3.394218 4.214593 0.000000 2.466323 2.463432 5.570287 0.000000 3.792405 3.803828 6.735993 1.543843 0.000000 1.442635 2.811548 4.513833 1.551015 2.511214 0.000000 2.811245 1.443184 5.193255 1.550247 2.530713 2.489879 0.000000 2.995954 2.975991 6.277025 1.545061 2.578463 2.531621 2.515667 0.000000 5.032791 4.450011 7.946704 2.578846 1.533737 3.912718 3.072993 3.100881 0.000000 1.442353 1.436637 2.884886 2.909139 4.254330 2.417979 2.411437 3.587255 5.272474 0.000000 3.763395 4.400263 7.143293 2.583165 3.076034 3.116605 3.913247 1.524901 3.644715 4.735745 0.000000 6.310061 5.894660 9.142243 3.931306 2.533878 5.041873 4.475886 4.506253 1.535909 6.616902 4.727739 0.000000 2.357559 2.364421 2.435384 4.214662 5.660180 3.687665 3.691355 4.508820 6.608308 1.502441 5.589371 8.016101 0.000000 7.560316 6.819800 10.379317 5.111566 3.893871 6.387923 5.430523 5.450369 2.533217 7.738796 5.709488 1.526862 9.072577 0.000000 3.180825 3.657398 1.395229 5.354077 6.716590 4.530193 4.895612 5.764552 7.792872 2.527006 6.710908 9.129950 1.407161 10.265325 0.000000 3.241474 2.700004 3.696531 4.686421 6.205478 4.504649 4.108941 4.565268 6.928768 2.529010 5.677597 8.424336 1.401040 9.323247 2.411321 0.000000 4.429111 4.778145 2.387686 6.606442 8.025744 5.833456 6.118054 6.829421 9.047398 3.824639 7.735923 10.429474 2.453120 11.516754 1.400272 2.810522 0.000000 4.461290 4.074645 4.170199 6.065357 7.592737 5.803945 5.494918 5.836783 8.302857 3.812387 6.845008 9.807472 2.429513 10.674381 2.777510 1.398153 2.425642 0.000000 4.944759 4.932379 3.663288 6.898453 8.399357 6.366885 6.356947 6.850597 9.261982 4.315959 7.786930 10.723877 2.814067 11.691342 2.406939 2.426468 1.396617 1.399421 0.000000 3.154505 4.719069 1.452650 5.450190 6.505742 4.112095 5.475446 6.145821 7.875263 3.282591 6.729890 8.974614 3.158810 10.324356 2.385351 4.427127 3.319132 4.990856 4.543621 0.000000 4.003880 4.042888 6.534716 2.182370 1.107746 2.710096 2.767748 3.527459 2.168878 4.318845 4.085282 2.758160 5.806774 4.177800 6.721497 6.544620 8.088498 7.933668 8.613027 6.314627 0.000000 4.100509 4.613036 7.177859 2.172818 1.108831 2.720030 3.488391 2.842076 2.168505 4.870266 2.751038 2.744771 6.218759 4.169607 7.205025 6.782632 8.499644 8.135104 8.902768 6.731854 1.764694 0.000000 2.079015 3.279553 4.378262 2.219304 2.695621 1.102353 2.835552 3.508230 4.162233 2.719377 4.075717 5.084736 4.082373 6.501768 4.710410 5.115526 6.083918 6.395722 6.805078 3.939592 2.427181 2.950430 0.000000 1.990885 3.756628 5.061249 2.219528 2.916978 1.105433 3.469799 2.716599 4.331905 3.293391 2.722735 5.331739 4.341030 6.712685 5.080896 5.077832 6.296711 6.285327 6.814263 4.383962 3.261631 2.688613 1.808179 0.000000 3.762255 1.989087 6.091271 2.225162 2.949519 3.474019 1.104493 2.703174 2.923579 3.285386 4.157687 4.363079 4.347942 5.032241 5.641538 4.457522 6.752250 5.783890 6.800176 6.482894 3.343838 3.948798 3.896480 4.350917 0.000000 3.270446 2.082082 5.134648 2.217518 2.716488 2.830934 1.102611 3.495350 3.300256 2.707445 4.771898 4.467508 4.081143 5.465489 5.091414 4.731169 6.379015 6.084389 6.790523 5.462314 2.498002 3.735808 2.735799 3.891841 1.803631 0.000000 2.578244 2.589574 5.664829 2.157271 3.512043 2.698113 2.718651 1.114453 4.118853 3.088903 2.169504 5.571695 3.697720 6.489762 4.971446 3.584698 5.917343 4.792970 5.833282 5.625039 4.326122 3.816760 3.750229 2.918089 2.963455 3.765207 0.000000 3.928322 3.282065 7.051090 2.181404 2.894567 3.488639 2.695313 1.106755 2.836508 4.235090 2.163362 4.272468 5.106646 4.936938 6.449615 4.961752 7.460199 6.201892 7.343500 7.072784 3.887036 3.317595 4.363309 3.784049 2.413449 3.694641 1.772075 0.000000 5.174768 4.102750 7.811175 2.836954 2.181546 4.243507 2.725144 3.458312 1.106359 5.105602 4.352039 2.173165 6.404677 2.758305 7.614008 6.673185 8.840715 8.032235 9.013364 7.938900 2.535905 3.092188 4.432417 4.883186 2.319236 2.833487 4.310146 3.026544 0.000000 5.231925 4.644361 8.340042 2.812190 2.177573 4.236140 3.436375 2.731283 1.108020 5.560821 3.115954 2.175456 6.759168 2.765654 8.024289 6.882757 9.197261 8.206798 9.267416 8.259755 3.090009 2.539159 4.730050 4.508392 3.108604 3.955657 3.773522 2.220031 1.765827 0.000000 2.096365 2.095155 2.618286 3.316242 4.383303 2.700787 2.692722 4.339347 5.456107 1.109449 5.457769 6.658070 2.209005 7.827649 2.765220 3.414792 4.132911 4.584080 4.868029 3.087238 4.161646 5.048319 2.533026 3.662749 3.648910 2.517148 4.036586 4.967276 5.230330 5.944587 0.000000 3.400692 4.620802 6.693621 2.850549 3.404655 2.796098 4.277318 2.182637 4.321912 4.615925 1.096663 5.316346 5.422551 6.461996 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6.810622 5.674301 2.426958 3.697209 2.578353 3.811104 1.805994 0.000000 2.643381 2.631045 5.708628 2.166883 3.530158 2.750159 2.728992 1.105385 4.165190 3.144074 2.173883 5.634075 3.922056 6.584095 5.156743 3.969206 6.169705 5.209822 6.189919 5.886021 4.338270 3.854031 3.787203 3.058600 3.005192 3.775105 0.000000 3.987843 3.338582 7.045466 2.179403 2.888186 3.509284 2.712915 1.108528 2.861685 4.278782 2.174553 4.323628 5.305158 5.024914 6.603103 5.334372 7.693806 6.629777 7.703641 7.318756 3.867530 3.345528 4.351909 3.843941 2.451178 3.714348 1.770936 0.000000 5.312293 4.252841 7.791042 2.901295 2.194015 4.303776 2.846097 3.500117 1.109141 5.219574 4.392111 2.173767 6.584259 2.793712 7.734560 6.968443 9.013058 8.361322 9.288358 8.257279 2.534837 3.097762 4.439865 4.883141 2.373385 2.978992 4.354583 3.029735 0.000000 5.346150 4.807955 8.299088 2.881458 2.189055 4.284153 3.561850 2.801824 1.108227 5.671944 3.149744 2.174619 6.984606 2.795377 8.171101 7.280938 9.417262 8.651162 9.628383 8.515632 3.095585 2.542199 4.741141 4.503590 3.222647 4.069735 3.842381 2.290165 1.776122 0.000000 2.101314 2.108233 2.569345 3.244193 4.295383 2.609122 2.630916 4.310015 5.442249 1.115241 5.442536 6.623159 2.184166 7.857333 2.732499 3.400776 4.110112 4.581118 4.863868 3.410053 4.040480 4.929433 2.370744 3.590972 3.615070 2.410577 4.045927 4.942883 5.267336 5.962327 0.000000 3.438279 4.696362 6.598328 2.926541 3.516096 2.897906 4.343552 2.208329 4.409548 4.668661 1.105266 5.433788 5.587305 6.576356 6.457495 6.001717 7.534876 7.141752 7.835873 6.216120 4.381325 3.041728 3.877235 2.234815 4.828419 5.089800 2.545256 3.108993 5.147437 4.049817 5.293143 0.000000 4.562483 5.134415 7.793367 2.934247 2.856832 3.627832 4.335252 2.214310 3.189510 5.506073 1.105872 4.036613 6.644285 4.993391 7.674516 6.994967 8.840689 8.251573 9.095443 7.595904 3.903262 2.343748 4.429106 3.227448 4.505539 5.044057 3.112024 2.557100 4.076265 2.605011 6.012599 1.788228 0.000000 4.540900 5.059291 7.768967 3.568830 4.151678 4.157783 4.722144 2.185514 4.470984 5.465191 1.105417 5.575790 6.270943 6.365572 7.362558 6.313919 8.332646 7.414180 8.353296 7.588966 5.208678 3.896455 5.191968 3.813301 4.819809 5.670289 2.498238 2.497379 5.097848 3.720939 6.248176 1.777002 1.781888 0.000000 6.516851 6.145459 8.780988 4.267977 2.792614 5.160767 4.672772 5.162275 2.180160 6.696782 5.520846 1.109406 8.191605 2.181863 9.097673 8.882035 10.480078 10.291585 11.018737 9.008261 2.546481 3.083177 4.922621 5.447369 4.633492 4.382590 6.162019 5.026149 2.529248 3.090275 6.448753 6.015865 4.825304 6.391932 0.000000 6.544441 6.540890 9.234689 4.254042 2.788441 5.144592 5.139072 4.716272 2.178172 7.054538 4.594704 1.109439 8.516168 2.182017 9.471278 9.128439 10.829299 10.527617 11.306253 9.246026 3.104983 2.525195 5.196260 5.110587 5.119156 5.185055 5.810775 4.617111 3.088614 2.527417 7.027422 5.108980 3.668339 5.358546 1.774769 0.000000 7.876899 7.190545 10.685285 5.373278 4.276589 6.698612 5.845977 5.394919 2.840533 8.120974 5.495607 2.198201 9.473518 1.106441 10.646575 9.759783 11.918489 11.129096 12.136280 10.925816 4.793212 4.443169 6.941091 6.856978 5.328205 6.082713 6.420907 4.760593 3.154681 2.607391 8.258121 6.371844 4.672886 5.895139 3.108533 2.549533 0.000000 7.856851 6.834746 10.295931 5.387588 4.281487 6.713544 5.441972 5.795023 2.845207 7.813747 6.298008 2.198525 9.184793 1.106443 10.316890 9.532637 11.603674 10.909129 11.871278 10.726351 4.451017 4.785639 6.739267 7.115023 4.865244 5.413890 6.746437 5.165138 2.610386 3.162857 7.771524 7.126463 5.634672 6.856751 2.547414 3.108814 1.785666 0.000000 8.590037 8.006792 11.126411 6.137874 4.766761 7.277394 6.556676 6.541361 3.538727 8.797989 6.665817 2.203399 10.241273 1.105438 11.291478 10.715177 12.632133 12.116805 13.008783 11.355708 4.908159 4.889334 7.255975 7.447534 6.181515 6.497182 7.599606 6.078094 3.810866 3.810384 8.714754 7.381134 5.779758 7.250237 2.530179 2.528196 1.786982 1.786694 0.000000 3.533280 2.391778 4.607761 4.506970 6.008603 4.617160 3.788264 4.310075 6.634597 2.743199 5.537303 8.155019 2.160074 9.012947 3.423594 1.093622 3.920384 2.187155 3.446721 5.419794 6.375290 6.661368 5.232459 5.345893 4.015815 4.497788 3.375063 4.558519 6.321826 6.582522 3.692245 5.680492 6.468874 5.722022 8.418794 8.615246 9.010145 8.826029 10.071794 0.000000 5.198710 5.823478 2.659502 7.516178 8.829996 6.535814 7.064443 7.945208 10.032136 4.695696 8.783898 11.309641 3.444857 12.544628 2.166718 3.921915 1.095311 3.449495 2.191257 3.248571 8.723773 9.230226 6.571664 7.022752 7.856539 7.127698 7.139606 8.677609 9.893275 10.323614 4.801129 8.312267 9.679431 9.231025 11.211058 11.592358 12.811778 12.468964 13.444502 5.015019 0.000000 5.438261 4.804119 5.332617 6.934757 8.464076 6.772192 6.258541 6.662783 9.153091 4.726230 7.693168 10.672487 3.444475 11.529088 3.913651 2.176369 3.440896 1.095355 2.180638 6.127683 8.783522 9.045274 7.327748 7.376949 6.505975 6.846432 5.624855 6.954296 8.836272 9.068693 5.523738 7.675818 8.714666 7.717511 10.915983 11.104009 11.497165 11.319290 12.592124 2.522775 4.358343 0.000000 6.073492 6.101530 4.620519 8.139955 9.626333 7.524611 7.550960 8.170444 10.592740 5.443748 9.084628 12.030455 3.934811 13.081911 3.435124 3.442609 2.176022 2.182533 1.095866 5.303658 9.744968 10.115589 7.851821 8.053015 8.075240 7.888247 7.176848 8.701955 10.351158 10.676522 5.937163 8.798686 10.098447 9.268240 12.111300 12.389931 13.184198 12.925211 14.084650 4.356398 2.526627 2.514959 0.000000 4.108412 5.795517 2.139081 6.548750 7.648402 5.178417 6.641210 7.088743 9.076688 4.368477 7.547170 10.172415 3.823437 11.578290 2.719492 4.856978 3.029246 5.037945 4.262668 1.107878 7.518369 7.749927 5.137043 5.314159 7.646711 6.667807 6.500094 8.053520 9.227846 9.402786 4.359423 6.812953 8.319079 8.133654 10.056616 10.217777 11.866644 11.729684 12.367283 5.781764 2.804231 6.056200 4.886064 0.000000 2.512693 4.564718 2.126623 4.853784 5.893870 3.415353 5.165253 5.454742 7.349820 3.161446 5.864840 8.419781 3.204755 9.840790 2.728501 4.406761 3.704036 5.068288 4.779116 1.105624 5.820792 5.944666 3.438787 3.505746 6.211074 5.244218 5.013121 6.463157 7.589146 7.670745 3.205977 5.138683 6.569992 6.551388 8.350721 8.425412 10.113604 10.053340 10.619397 5.084940 3.967685 6.089154 5.659264 1.814018 0.000000 3.975883 5.660796 2.068322 6.054550 6.867858 4.610547 6.172168 6.941607 8.346579 4.225310 7.424766 9.256028 4.236577 10.715253 3.332032 5.553506 4.135619 6.072199 5.477240 1.101193 6.514828 6.960877 4.204557 4.797299 7.249618 5.938289 6.605694 7.904214 8.516362 8.852718 3.805904 6.717206 8.004336 8.210087 8.979491 9.299662 11.142812 10.877110 11.404974 6.350123 3.991630 7.154256 6.242933 1.806596 1.815226 0.000000 0.7559333 0.1418705 0.1354415 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= 239 239 240 240 240 MxSgAt= 46 MxSgA2= 46. 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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= 14878 NPrTT= 74418 LenC2= 12831 LenP2D= 40143. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 252 RedAO= T EigKep= 6.65D-04 NBF= 252 NBsUse= 252 1.00D-06 EigRej= -1.00D+00 NBFU= 252 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 241 241 241 241 241 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -887.465180044705 -887.587227586015 -0.122047541310 -887.843064354339 -0.255836768324 -887.849679393855 -0.006615039516 -887.859908877421 -0.010229483566 -887.860565681995 -0.000656804575 -887.860591572176 -0.000025890181 -887.860596108239 -0.000004536063 -887.860705430175 -0.000109321936 -887.860705843074 -0.000000412899 -887.860705838593 0.000000004481 -887.860706000340 -0.000000161747 -887.860706006475 -0.000000006135 -887.860706006828 -0.000000000353 -887.860706006864 -0.000000000036 -887.860706006861 0.000000000004 -887.860706007 16 8.842283478669e+02 -5.342633258922e+03 1.933883404256e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=516428571. IVT= 212178 IEndB= 212178 NGot= 939524096 MDV= 431192538 LenX= 431192538 LenY= 431128593 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= 31878 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 1.08928958e+00 1.02830377e-01 -5.14028004e-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 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 -0.017123619 -0.005699647 -0.017371699 -0.012803108 -0.008090516 0.015580785 0.000192977 0.008151317 0.009734617 0.003224677 0.007644701 -0.000013144 -0.002048082 -0.001797692 -0.002386195 0.005599310 -0.004347155 -0.005193745 0.004774966 -0.004578231 0.002304542 -0.009484544 -0.005336831 0.004364611 0.001325918 0.000902638 -0.002281953 -0.000023699 -0.008174625 0.004869216 0.000911107 -0.003305916 -0.002694329 0.000102244 -0.000048928 0.000144027 -0.002214482 0.006743926 0.002702268 0.006028795 0.001456007 0.000483366 -0.003679007 0.001725942 0.005497998 0.009690525 -0.007017950 0.001843200 -0.001760268 -0.000070381 -0.001018220 0.000406404 -0.008926231 0.002589485 -0.011391614 -0.005241439 0.000483349 0.003386401 0.010456644 -0.000768124 -0.000804367 0.001531439 0.001416709 0.000818682 0.000174286 -0.000035714 0.005298368 0.006928425 0.001341107 0.006450340 0.005002329 0.001756943 0.005753627 0.003541486 -0.002453550 0.004129911 0.007342049 -0.000117834 0.005098825 0.001161163 -0.000472182 0.000608232 0.000329490 0.000742659 0.000634152 0.001510294 0.001323391 0.001582571 0.000365300 -0.000796618 -0.001862888 0.004048816 0.000115637 -0.002194325 0.001288236 -0.004661123 0.006254591 0.001161796 -0.001046365 -0.000358469 -0.005425775 -0.000781335 -0.001226893 0.000885869 0.000540829 -0.000735747 -0.000867988 -0.001154161 0.000050356 -0.006522818 -0.001560283 -0.002498851 0.001201883 0.006158008 0.006283028 0.002482594 -0.000385137 -0.000272359 0.001196418 0.000933543 -0.002875632 0.003629539 -0.000879949 -0.000555773 -0.004591082 0.001915831 -0.004012382 -0.001898090 0.000681045 -0.004569020 -0.001844555 -0.008848787 0.002159819 -0.001060387 -0.003784100 0.001729301 0.003983651 -0.008818620 0.017371699 0.004849925 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -887.873138862032 -887.873156829248 -0.000017967217 -887.873156208554 0.000000620694 -887.873157054532 -0.000000845978 -887.873157061778 -0.000000007246 -887.873157064622 -0.000000002844 -887.873157064779 -0.000000000156 -887.873157064774 0.000000000005 -887.873157065 8 8.833173678094e+02 -5.293498748559e+03 1.909975620913e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=516428571. IVT= 212178 IEndB= 212178 NGot= 939524096 MDV= 431192538 LenX= 431192538 LenY= 431128593 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= 31878 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 O O O O O O O O O O O O O O O O O O O O O O O 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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 H 1S 2S 22 H 1S 2S 23 H 1S 2S 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 39 H 1S 2S 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 43 H 1S 2S 44 H 1S 2S 45 H 1S 2S 46 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 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 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 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 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|39 H 1S|2S|40 H 1S|2S|41 H 1S|2S|42 H 1S|2S|43 H 1S|2S|44 H 1S|2S|45 H 1S|2S|46 H 1S|2S 1.13245 0.85926 0.94931 0.92034 1.03739 1.30121 1.05553 0.28564 0.44414 0.26188 1.13239 0.85931 0.94403 0.92321 0.97271 1.22283 1.21563 0.20559 0.39373 0.38940 1.13232 0.85944 0.93951 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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 -0.247155 -0.258838 -0.306356 0.390697 -0.483529 -0.435075 -0.428765 -0.397585 -0.383149 -0.097476 -0.738553 -0.347201 0.289514 -0.698908 0.149110 -0.362711 -0.352328 -0.244121 -0.210600 -0.526470 0.194123 0.203875 0.189218 0.236576 0.238012 0.194396 0.247884 0.193919 0.203801 0.207089 0.226900 0.223424 0.216571 0.220405 0.194529 0.194505 0.210905 0.210811 0.217964 0.271674 0.244334 0.226571 0.226588 0.212998 0.257425 0.224999 0.00000 8.24627341e-01 1.71574247e-01 -5.06615574e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.0960 0.4361 -1.2877 2.4983 -110.3068 -120.1901 -122.3426 3.9059 3.9323 -5.2360 7.3063 -2.5769 -4.7294 3.9059 3.9323 -5.2360 -118.3634 -17.2237 -17.2146 -21.4100 -16.0211 -13.6060 -18.0999 6.8599 -1.9872 21.7991 -8821.3595 -1113.6788 -982.1372 64.2495 -23.6487 9.5690 58.1508 9.9996 80.3731 -1721.7936 -1723.9906 -329.2048 -45.4282 -10.0670 -26.1531 0 -887.8731571 6.799E-9 2.766E-5 5.4320801,-1.9158789,-3.5162012,2.9039169,2.9235941,-3.8928682 C01 [X(C17H26O3)] 0.8246273 0.1715742 -0.5066156 @ -0.000047837 -0.000035832 0.000068441 0.000034767 -0.000083313 0.000072522 0.000011970 -0.000017635 -0.000009889 -0.000031032 -0.000030754 -0.000017398 -0.000002636 0.000003793 -0.000004541 0.000093901 0.000040421 0.000010778 0.000043047 0.000053883 -0.000020201 0.000002478 0.000016655 0.000019480 0.000002971 -0.000008573 0.000006251 -0.000124028 0.000120847 -0.000143776 0.000009007 -0.000006788 -0.000013318 -0.000000049 0.000006712 -0.000008258 0.000044033 -0.000019006 0.000023585 0.000011706 -0.000005038 0.000008982 -0.000027366 0.000023541 -0.000009888 -0.000018268 0.000001092 0.000001536 -0.000000256 -0.000009455 -0.000000298 0.000004716 0.000019648 0.000004954 0.000018048 0.000006165 -0.000002181 -0.000019207 -0.000013506 0.000034983 0.000004912 -0.000003266 -0.000005557 0.000002049 -0.000000921 0.000001534 -0.000010763 -0.000019805 -0.000011499 -0.000017932 -0.000008634 -0.000001632 -0.000009058 -0.000004590 0.000004035 -0.000005775 -0.000014769 -0.000003891 0.000003467 -0.000004442 0.000006228 -0.000005825 0.000004174 0.000001299 -0.000000677 0.000002089 -0.000008242 0.000000317 0.000007369 0.000008701 0.000016066 -0.000020062 0.000007040 0.000007848 -0.000008467 0.000015369 -0.000013945 -0.000016065 0.000005587 -0.000004772 0.000006957 0.000001866 0.000002704 -0.000004404 -0.000006824 -0.000001139 -0.000003833 0.000003528 -0.000002665 0.000014660 0.000005610 0.000003964 0.000002939 -0.000015338 -0.000007316 -0.000006908 0.000000996 -0.000000556 0.000001382 0.000001384 0.000004569 -0.000000866 0.000004160 -0.000002440 0.000011215 0.000000003 0.000006052 0.000004071 0.000005915 0.000018189 0.000001773 -0.000002204 0.000001739 0.000007457 -0.000008904 0.000005019 -0.000009914 -0.000030929 252.18009999999987 AuxInfo=1/0/N:14,11,20,12,8,9,18,19,16,17,5,6,7,13,15,10,4,3,1,2/E:(12,13)(19,20)/CRV:7.3,8.3,9.3,10.3,14.3,15.3/rA:46OOOCCCCCCCCCC3CC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s1s4;s2s4;s4;s5;s1s2;s8;s9;s10;s12;s3s13;s13;s15;s16;s17s18;s3;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s11;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2025 CBGUSER 000239887 EM64L-G09RevD.01 4-Feb-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 132 C1[X(C17H26O3)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 252.18009999999987 0 1 AuxInfo=1/0/N:14,11,20,12,8,9,18,19,16,17,5,6,7,13,15,10,4,3,1,2/E:(12,13)(19,20)/CRV:7.3,8.3,9.3,10.3,14.3,15.3/rA:46OOOCCCCCCCCCC3CC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s1s4;s2s4;s4;s5;s1s2;s8;s9;s10;s12;s3s13;s13;s15;s16;s17s18;s3;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s11;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-6972.inp" -scrdir="/scratch/" chk=000239887-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 000239887 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 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 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 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 (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| 0.000616 0.000087 0.066648 0.025474 0.000450 0.000300 0.001800 0.001200 NO YES NO NO -2.308504e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1612.3325496417 252 584 252 76 76 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 46 46 46 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 0 252.18009999999987 AuxInfo=1/0/N:14,11,20,12,8,9,18,19,16,17,5,6,7,13,15,10,4,3,1,2/E:(12,13)(19,20)/CRV:7.3,8.3,9.3,10.3,14.3,15.3/rA:46OOOCCCCCCCCCC3CC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s1s4;s2s4;s4;s5;s1s2;s8;s9;s10;s12;s3s13;s13;s15;s16;s17s18;s3;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s11;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.413098 0.000000 3.270742 4.242701 0.000000 2.513979 2.513240 5.437023 0.000000 3.844811 3.862703 6.540594 1.557323 0.000000 1.478730 2.855064 4.305635 1.555433 2.514168 0.000000 2.864478 1.478445 5.115220 1.555783 2.545022 2.483210 0.000000 3.044683 3.028707 6.234322 1.558655 2.602037 2.565321 2.536731 0.000000 5.135128 4.579218 7.848958 2.635108 1.546940 3.949645 3.167941 3.150993 0.000000 1.481075 1.455662 2.862505 2.919304 4.266592 2.416666 2.410930 3.622718 5.352551 0.000000 3.809641 4.470994 7.075394 2.629708 3.140901 3.182422 3.960930 1.543782 3.695265 4.785789 0.000000 6.405621 6.021747 8.983248 3.994134 2.568615 5.075373 4.566619 4.576383 1.546340 6.686599 4.809125 0.000000 2.425530 2.420305 2.451909 4.306196 5.733364 3.740508 3.743391 4.685442 6.766442 1.509166 5.778979 8.150080 0.000000 7.701183 7.003888 10.307127 5.209545 3.951626 6.456595 5.578440 5.549122 2.575459 7.866412 5.794390 1.543710 9.279031 0.000000 3.166727 3.719903 1.420079 5.370382 6.694596 4.484707 4.910344 5.881781 7.868156 2.529515 6.826984 9.161852 1.418554 10.381968 0.000000 3.382362 2.774488 3.736826 4.904749 6.415068 4.671639 4.241337 4.905779 7.232533 2.551846 6.044706 8.712226 1.414159 9.688531 2.439868 0.000000 4.432015 4.858201 2.447980 6.668295 8.048394 5.822276 6.168586 7.013059 9.179174 3.835325 7.921205 10.514405 2.462079 11.697223 1.412342 2.827022 0.000000 4.584463 4.173765 4.237422 6.295017 7.814218 5.964295 5.646815 6.210441 8.636753 3.846730 7.250940 10.122049 2.454365 11.082962 2.818304 1.412056 2.448148 0.000000 5.012801 5.038308 3.737513 7.060401 8.537792 6.451598 6.475586 7.151756 9.517980 4.347923 8.105655 10.945686 2.838961 12.014262 2.442120 2.448666 1.412220 1.415115 0.000000 3.332148 5.026578 1.478991 5.655790 6.678116 4.267697 5.734862 6.363259 8.116795 3.571645 6.896787 9.171240 3.349045 10.586444 2.433094 4.588817 3.233009 5.059752 4.505267 0.000000 4.051812 4.065961 6.281681 2.184384 1.111789 2.710286 2.741334 3.545612 2.172633 4.301985 4.163798 2.783864 5.810875 4.224262 6.626827 6.659698 8.023213 8.048633 8.649202 6.477164 0.000000 4.120226 4.666938 6.919076 2.183142 1.109895 2.700440 3.498282 2.887796 2.171713 4.863347 2.848923 2.767564 6.284951 4.211778 7.153250 7.012651 8.497647 8.376292 9.038781 6.819873 1.771139 0.000000 2.124520 3.261948 4.088054 2.196998 2.672237 1.114595 2.758817 3.529023 4.158027 2.671207 4.163901 5.079194 4.044817 6.525108 4.573700 5.169468 5.971166 6.437624 6.776427 4.105670 2.390747 2.924175 0.000000 2.063672 3.844387 4.868668 2.217330 2.853672 1.102138 3.471702 2.798679 4.300748 3.341697 2.834880 5.276025 4.486842 6.694358 5.106805 5.377040 6.372725 6.587762 7.018685 4.497942 3.187113 2.588268 1.802049 0.000000 3.841054 2.054742 6.083769 2.217961 2.915459 3.469989 1.101731 2.740654 2.970450 3.322512 4.211962 4.404728 4.474124 5.143024 5.740082 4.686011 6.905321 6.053011 7.037008 6.776546 3.252824 3.934045 3.805149 4.362394 0.000000 3.289324 2.122080 4.974075 2.201061 2.701122 2.770820 1.114043 3.509085 3.389215 2.678991 4.806992 4.544942 4.059348 5.615729 5.018489 4.779280 6.332806 6.143230 6.810623 5.674301 2.426958 3.697209 2.578353 3.811105 1.805994 0.000000 2.643382 2.631044 5.708628 2.166883 3.530157 2.750159 2.728991 1.105385 4.165190 3.144073 2.173883 5.634075 3.922056 6.584095 5.156742 3.969206 6.169704 5.209822 6.189919 5.886021 4.338270 3.854031 3.787203 3.058600 3.005191 3.775104 0.000000 3.987844 3.338582 7.045467 2.179404 2.888186 3.509284 2.712914 1.108528 2.861685 4.278782 2.174554 4.323628 5.305159 5.024913 6.603103 5.334372 7.693806 6.629778 7.703642 7.318757 3.867530 3.345528 4.351909 3.843942 2.451177 3.714348 1.770937 0.000000 5.312294 4.252841 7.791042 2.901296 2.194015 4.303776 2.846097 3.500117 1.109142 5.219574 4.392111 2.173767 6.584260 2.793712 7.734560 6.968443 9.013059 8.361323 9.288359 8.257279 2.534838 3.097762 4.439865 4.883141 2.373385 2.978992 4.354584 3.029735 0.000000 5.346150 4.807954 8.299087 2.881458 2.189054 4.284152 3.561849 2.801824 1.108227 5.671943 3.149744 2.174619 6.984606 2.795377 8.171101 7.280938 9.417262 8.651162 9.628383 8.515631 3.095585 2.542199 4.741140 4.503590 3.222646 4.069734 3.842381 2.290165 1.776121 0.000000 2.101315 2.108234 2.569345 3.244193 4.295382 2.609123 2.630917 4.310016 5.442250 1.115241 5.442536 6.623159 2.184166 7.857334 2.732499 3.400776 4.110112 4.581119 4.863868 3.410053 4.040480 4.929434 2.370744 3.590973 3.615070 2.410577 4.045927 4.942884 5.267336 5.962328 0.000000 3.438280 4.696362 6.598328 2.926541 3.516097 2.897906 4.343551 2.208330 4.409548 4.668661 1.105266 5.433789 5.587305 6.576356 6.457495 6.001717 7.534875 7.141752 7.835873 6.216119 4.381325 3.041728 3.877235 2.234815 4.828419 5.089800 2.545257 3.108994 5.147437 4.049817 5.293144 0.000000 4.562484 5.134415 7.793367 2.934247 2.856832 3.627832 4.335252 2.214310 3.189509 5.506073 1.105872 4.036613 6.644286 4.993391 7.674516 6.994968 8.840689 8.251574 9.095444 7.595904 3.903262 2.343748 4.429106 3.227448 4.505539 5.044057 3.112025 2.557100 4.076265 2.605011 6.012600 1.788228 0.000000 4.540901 5.059291 7.768967 3.568830 4.151678 4.157783 4.722143 2.185514 4.470983 5.465191 1.105416 5.575790 6.270944 6.365571 7.362558 6.313920 8.332647 7.414181 8.353296 7.588966 5.208678 3.896454 5.191968 3.813301 4.819809 5.670289 2.498239 2.497379 5.097848 3.720939 6.248177 1.777001 1.781888 0.000000 6.516851 6.145459 8.780988 4.267977 2.792615 5.160767 4.672772 5.162276 2.180160 6.696781 5.520847 1.109407 8.191605 2.181863 9.097673 8.882035 10.480078 10.291586 11.018737 9.008261 2.546482 3.083177 4.922621 5.447369 4.633492 4.382590 6.162019 5.026149 2.529248 3.090275 6.448753 6.015866 4.825304 6.391932 0.000000 6.544442 6.540890 9.234690 4.254042 2.788442 5.144592 5.139072 4.716272 2.178172 7.054538 4.594705 1.109439 8.516168 2.182017 9.471279 9.128440 10.829300 10.527617 11.306254 9.246026 3.104983 2.525195 5.196260 5.110588 5.119156 5.185055 5.810775 4.617111 3.088614 2.527417 7.027423 5.108980 3.668339 5.358546 1.774769 0.000000 7.876900 7.190545 10.685286 5.373278 4.276589 6.698612 5.845977 5.394919 2.840533 8.120974 5.495607 2.198201 9.473518 1.106442 10.646575 9.759783 11.918489 11.129096 12.136280 10.925816 4.793213 4.443168 6.941091 6.856979 5.328206 6.082713 6.420908 4.760593 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5.345893 4.015815 4.497789 3.375063 4.558519 6.321826 6.582522 3.692245 5.680492 6.468874 5.722022 8.418794 8.615246 9.010145 8.826028 10.071794 0.000000 5.198709 5.823479 2.659502 7.516178 8.829995 6.535814 7.064443 7.945208 10.032136 4.695696 8.783898 11.309641 3.444857 12.544627 2.166718 3.921915 1.095311 3.449494 2.191257 3.248572 8.723772 9.230226 6.571664 7.022752 7.856539 7.127698 7.139605 8.677609 9.893275 10.323614 4.801129 8.312267 9.679431 9.231025 11.211058 11.592358 12.811778 12.468964 13.444502 5.015019 0.000000 5.438261 4.804119 5.332617 6.934758 8.464076 6.772192 6.258541 6.662784 9.153092 4.726231 7.693168 10.672488 3.444475 11.529088 3.913651 2.176369 3.440896 1.095355 2.180638 6.127684 8.783522 9.045274 7.327748 7.376949 6.505976 6.846432 5.624855 6.954297 8.836273 9.068693 5.523738 7.675818 8.714666 7.717511 10.915984 11.104010 11.497165 11.319290 12.592125 2.522775 4.358343 0.000000 6.073492 6.101530 4.620518 8.139955 9.626332 7.524612 7.550959 8.170444 10.592740 5.443749 9.084628 12.030456 3.934811 13.081911 3.435124 3.442609 2.176022 2.182532 1.095865 5.303659 9.744967 10.115589 7.851821 8.053014 8.075239 7.888247 7.176848 8.701956 10.351158 10.676522 5.937163 8.798686 10.098448 9.268240 12.111300 12.389931 13.184198 12.925210 14.084650 4.356398 2.526627 2.514959 0.000000 4.108411 5.795518 2.139082 6.548750 7.648402 5.178418 6.641210 7.088743 9.076689 4.368477 7.547171 10.172416 3.823437 11.578290 2.719492 4.856978 3.029246 5.037945 4.262668 1.107879 7.518368 7.749928 5.137043 5.314159 7.646711 6.667808 6.500094 8.053521 9.227847 9.402786 4.359423 6.812953 8.319080 8.133654 10.056616 10.217778 11.866644 11.729684 12.367284 5.781764 2.804231 6.056200 4.886064 0.000000 2.512692 4.564718 2.126624 4.853783 5.893869 3.415353 5.165252 5.454741 7.349820 3.161446 5.864840 8.419781 3.204754 9.840790 2.728501 4.406760 3.704036 5.068288 4.779116 1.105624 5.820791 5.944666 3.438787 3.505746 6.211073 5.244218 5.013121 6.463157 7.589146 7.670744 3.205977 5.138682 6.569991 6.551388 8.350721 8.425411 10.113603 10.053340 10.619398 5.084939 3.967685 6.089154 5.659264 1.814018 0.000000 3.975882 5.660797 2.068323 6.054549 6.867857 4.610547 6.172168 6.941608 8.346579 4.225310 7.424767 9.256028 4.236577 10.715252 3.332032 5.553506 4.135619 6.072200 5.477240 1.101193 6.514827 6.960877 4.204557 4.797299 7.249618 5.938289 6.605693 7.904214 8.516362 8.852717 3.805903 6.717206 8.004337 8.210088 8.979491 9.299662 11.142812 10.877110 11.404974 6.350123 3.991630 7.154257 6.242933 1.806597 1.815227 0.000000 C17H26O3 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 0 252.18009999999987 AuxInfo=1/0/N:14,11,20,12,8,9,18,19,16,17,5,6,7,13,15,10,4,3,1,2/E:(12,13)(19,20)/CRV:7.3,8.3,9.3,10.3,14.3,15.3/rA:46OOOCCCCCCCCCC3CC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s1s4;s2s4;s4;s5;s1s2;s8;s9;s10;s12;s3s13;s13;s15;s16;s17s18;s3;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s11;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7559333 0.1418705 0.1354415 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= 14878 NPrTT= 74418 LenC2= 12831 LenP2D= 40143. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 252 RedAO= T EigKep= 6.65D-04 NBF= 252 NBsUse= 252 1.00D-06 EigRej= -1.00D+00 NBFU= 252 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= 240 240 240 240 240 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -887.500244518059 -887.612510426010 -0.112265907950 -887.852943096660 -0.240432670651 -887.860942439830 -0.007999343170 -887.872393478092 -0.011451038262 -887.873054857241 -0.000661379149 -887.873089481353 -0.000034624112 -887.873094859152 -0.000005377800 -887.873226734766 -0.000131875614 -887.873226889252 -0.000000154486 -887.873227129644 -0.000000240392 -887.873227229533 -0.000000099889 -887.873227233662 -0.000000004129 -887.873227233829 -0.000000000166 -887.873227233890 -0.000000000061 -887.873227233888 0.000000000001 -887.873227234 16 8.833171442490e+02 -5.293498487726e+03 1.909975566601e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=516428995. IVT= 212602 IEndB= 212602 NGot= 939524096 MDV= 431192114 LenX= 431192114 LenY= 431128169 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= 31878 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= 46. Will process 47 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 939523380 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=516229830. 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= 31878 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 138 vectors produced by pass 0 Test12= 1.34D-14 1.00D-09 XBig12= 2.77D+02 6.20D+00. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 1.34D-14 1.00D-09 XBig12= 6.76D+01 1.97D+00. 138 vectors produced by pass 2 Test12= 1.34D-14 1.00D-09 XBig12= 2.99D-01 4.47D-02. 137 vectors produced by pass 3 Test12= 1.34D-14 1.00D-09 XBig12= 1.29D-04 6.25D-04. 67 vectors produced by pass 4 Test12= 1.34D-14 1.00D-09 XBig12= 1.03D-08 7.64D-06. 3 vectors produced by pass 5 Test12= 1.34D-14 1.00D-09 XBig12= 4.78D-13 7.08D-08. 2 vectors produced by pass 6 Test12= 1.34D-14 1.00D-09 XBig12= 4.67D-16 1.73D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 623 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 191.49 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 248.816 -6.784 187.389 3.674 -3.518 138.262 358.195 -8.418 350.140 7.530 -13.645 230.061 (Enter /mnt/data/applications/G09/g09/l716.exe) PT4292.300S Sun Feb 4 05:24:57 2018 -18.76828 -18.76774 -18.76483 -9.99250 -9.95434 -9.94337 -9.94140 -9.93243 -9.91544 -9.91006 -9.90597 -9.90223 -9.90082 -9.90028 -9.89854 -9.89413 -9.89399 -9.88628 -9.88354 -9.88114 -0.96921 -0.94273 -0.90440 -0.77429 -0.75624 -0.71360 -0.69298 -0.67276 -0.66448 -0.64597 -0.61727 -0.61395 -0.60066 -0.56178 -0.56033 -0.53429 -0.52432 -0.51799 -0.48176 -0.46815 -0.44641 -0.43956 -0.43207 -0.42138 -0.41439 -0.41017 -0.40009 -0.39553 -0.39146 -0.38265 -0.37539 -0.37299 -0.37093 -0.36268 -0.35212 -0.34948 -0.34459 -0.33388 -0.32712 -0.32078 -0.30933 -0.30826 -0.30635 -0.29828 -0.29598 -0.29097 -0.28397 -0.28040 -0.27399 -0.26521 -0.26155 -0.22314 -0.22023 -0.21588 -0.20816 -0.20397 -0.04031 -0.03140 0.04913 0.05295 0.06152 0.07349 0.08291 0.09356 0.09664 0.10204 0.10681 0.11163 0.11469 0.11770 0.12638 0.13069 0.13586 0.13908 0.14143 0.14656 0.15069 0.15375 0.15683 0.16038 0.16281 0.16843 0.17104 0.17576 0.17704 0.18175 0.18400 0.18535 0.19095 0.19466 0.19727 0.19942 0.20917 0.21445 0.21853 0.22414 0.23582 0.24005 0.24112 0.24707 0.24845 0.25635 0.25977 0.26721 0.27242 0.27788 0.28400 0.28902 0.29287 0.30042 0.30206 0.31092 0.31454 0.32083 0.32179 0.33178 0.33980 0.34614 0.35392 0.36853 0.37456 0.37906 0.38181 0.38773 0.39157 0.39590 0.40150 0.40841 0.41468 0.41680 0.42776 0.43424 0.44000 0.44987 0.45544 0.45860 0.46495 0.47849 0.48652 0.50024 0.50247 0.51751 0.53016 0.54004 0.54890 0.56066 0.57276 0.59287 0.60711 0.61728 0.62238 0.63682 0.64039 0.68329 0.69693 0.71620 0.72181 0.74064 0.80339 0.80896 0.85236 0.86745 0.87597 0.88882 0.89807 0.90447 0.91736 0.93074 0.93573 0.95284 0.96116 0.97145 0.97611 0.99042 0.99556 1.00875 1.01861 1.02386 1.03071 1.03885 1.05066 1.07884 1.08095 1.09495 1.09651 1.10708 1.11938 1.12918 1.14052 1.14519 1.14860 1.17020 1.17685 1.18497 1.19686 1.20253 1.21544 1.22107 1.23954 1.24692 1.26196 1.28933 1.32782 1.34841 1.35728 1.39939 1.46027 1.48234 1.52924 1.73003 1.77621 1.85547 22.33181 22.46335 22.52330 22.54200 22.54654 22.57996 22.59061 22.60341 22.61250 22.62556 22.66173 22.67625 22.68013 22.68329 22.69737 22.70721 22.78868 41.54918 41.56673 41.58013 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 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 -0.247173 -0.258848 -0.306301 0.390643 -0.483325 -0.435150 -0.428665 -0.397570 -0.383229 -0.097555 -0.738555 -0.347288 0.289424 -0.698915 0.148927 -0.362534 -0.352237 -0.244150 -0.210552 -0.526590 0.194112 0.203843 0.189241 0.236604 0.237994 0.194401 0.247883 0.193920 0.203783 0.207117 0.226946 0.223416 0.216564 0.220397 0.194568 0.194533 0.210920 0.210820 0.217973 0.271623 0.244319 0.226590 0.226576 0.213025 0.257448 0.225024 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 O O O C C C C C C C C C C C C C C C C C -0.247173 -0.258848 -0.306301 0.390643 -0.085370 -0.009305 0.003730 0.044233 0.027671 0.129392 -0.078178 0.041813 0.289424 -0.059202 0.148927 -0.090911 -0.107918 -0.017559 0.016023 0.168907 0.00000 -8.17532782e-01 4.28226020e-01 3.37352023e-01 2.48815867e+02 -6.78442204e+00 1.87389243e+02 3.67387651e+00 -3.51814819e+00 1.38261652e+02 -4.7944 -0.0003 0.0005 0.0007 8.1727 10.5957 31.6368 32.5258 47.1689 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 30.6635 32.4201 47.1259 53.9971 63.7107 71.2395 89.0285 109.7164 128.6701 137.0015 152.6187 182.7475 189.2593 197.1595 223.1583 233.1104 243.7829 279.0535 284.5362 288.2687 306.1669 335.7024 357.4093 382.0735 431.0347 443.3283 459.1396 492.7244 502.9125 519.4350 554.9122 571.2199 620.1514 659.6248 725.0413 726.5683 738.6570 760.1680 766.1818 778.7928 786.7794 852.2466 857.8910 886.5852 892.7718 895.5637 917.7998 930.6656 939.0380 946.0535 954.8485 961.6646 983.7899 990.5333 1010.0275 1023.7602 1033.0028 1038.4258 1058.8547 1074.3220 1080.5267 1091.2540 1101.5717 1116.9156 1151.0561 1165.4009 1168.2075 1177.6189 1178.9213 1185.9097 1212.2343 1216.6231 1228.8842 1263.2443 1274.5606 1275.9683 1289.5121 1292.6505 1310.9861 1314.6354 1337.2461 1340.9942 1345.8059 1352.9395 1361.9192 1367.8695 1386.8767 1388.7758 1393.5207 1423.4720 1443.1932 1448.7618 1456.1903 1457.4118 1465.1981 1467.1325 1473.0108 1476.4451 1478.5439 1480.7234 1481.0662 1484.7970 1487.5984 1490.5935 1589.3884 1612.9094 2919.9924 2922.0373 2930.9196 2949.0746 2959.6176 2962.0003 2972.3248 2973.6783 2979.4934 2984.1940 2995.4138 3006.0224 3038.6369 3044.8482 3057.2768 3069.3604 3070.2296 3072.5035 3073.3656 3078.2151 3082.1173 3113.6079 3128.6391 3145.6234 3160.1318 3175.0281 3.9777 4.3629 3.8276 2.5183 1.8562 2.5234 2.8018 3.2025 2.9522 2.6150 2.8784 2.0176 1.8607 2.3064 2.0925 1.1482 2.6149 2.1963 3.0144 3.2955 3.2567 2.5263 3.3254 2.2134 2.8038 3.2610 4.1802 3.3603 5.6346 4.4760 5.5431 3.7031 5.8177 3.9052 1.8456 1.4120 2.5683 2.6736 1.5216 1.6570 1.3028 2.2747 3.8126 1.9315 1.9264 1.7905 3.5501 2.3743 1.9455 3.1276 4.5041 1.7034 2.1524 1.3310 1.9040 2.2696 2.0161 3.5660 2.9796 2.1274 1.9714 2.2025 2.1280 1.2435 1.3441 1.0953 2.2381 1.8757 1.8098 2.2902 1.5548 1.6212 1.3785 1.2672 1.4338 1.3364 1.2615 1.1158 1.3167 1.1563 1.3665 1.3207 1.7438 1.8489 1.5167 1.3343 3.7666 1.2383 1.2175 1.3574 1.8295 1.0778 1.0862 1.0556 1.0731 1.0739 1.0695 1.0738 1.0435 1.6311 1.3962 1.0645 1.0492 1.0794 6.9552 6.9317 1.0806 1.0702 1.0693 1.0612 1.0315 1.0585 1.0544 1.0425 1.0367 1.0659 1.0928 1.1007 1.1036 1.0956 1.1031 1.1005 1.0973 1.0993 1.0960 1.0982 1.0946 1.1022 1.0856 1.0907 1.0965 1.0974 0.0022 0.0027 0.0050 0.0043 0.0044 0.0075 0.0131 0.0227 0.0288 0.0289 0.0395 0.0397 0.0393 0.0528 0.0614 0.0368 0.0916 0.1008 0.1438 0.1613 0.1799 0.1677 0.2503 0.1904 0.3069 0.3776 0.5192 0.4807 0.8396 0.7115 1.0057 0.7119 1.3182 1.0011 0.5716 0.4392 0.8256 0.9102 0.5263 0.5921 0.4751 0.9734 1.6532 0.8945 0.9046 0.8461 1.7619 1.2117 1.0108 1.6493 2.4195 0.9281 1.2274 0.7694 1.1444 1.4015 1.2676 2.2656 1.9683 1.4467 1.3561 1.5453 1.5214 0.9140 1.0492 0.8765 1.7996 1.5326 1.4820 1.8977 1.3461 1.4138 1.2265 1.1915 1.3723 1.2819 1.2359 1.0985 1.3333 1.1774 1.4397 1.3993 1.8608 1.9939 1.6576 1.4709 4.2685 1.4072 1.3930 1.6206 2.2451 1.3328 1.3571 1.3210 1.3574 1.3620 1.3672 1.3791 1.3440 2.1071 1.8045 1.3828 1.3680 1.4130 10.3519 10.6246 5.4282 5.3837 5.4121 5.4380 5.3233 5.4716 5.4884 5.4315 5.4222 5.5926 5.7773 5.8602 6.0036 5.9846 6.0748 6.1083 6.0943 6.1142 6.0994 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