Gaussian 09 GINC-KIMIK2035 CBGUSER 000246441 EM64L-G09RevD.01 29-Jan-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 320.1663999999998 0 1 AuxInfo=1/0/N:21,23,22,24,15,16,11,13,12,14,9,10,17,19,18,20,5,7,6,8,1,3,2,4/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12)(13,14,15,16)(17,18,19,20)(21,22,23,24)/CRV:13.3,14.3,15.3,16.3,17.1,18.1,19.1,20.1/rA:46OOOOO1O1O1O1CCCCCCCCC3C3C3C3CCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s9;s10;s10;s11s13;s12s14;s1s5s11;s2s6s12;s3s7s13;s4s8s14;s1;s2;s3;s4;s9;s10;s11;s12;s13;s14;s15;s15;s16;s16;s21;s21;s21;s22;s22;s22;s23;s23;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-11213.inp" -scrdir="/scratch/" chk=000246441.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 000246441 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 16 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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 5 6 7 8 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 21 21 21 22 22 22 23 23 23 24 24 24 17 21 18 22 19 23 20 24 17 18 19 20 10 11 12 25 13 14 26 15 17 27 16 18 28 15 19 29 16 20 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 1.3776 1.4532 1.3777 1.4537 1.3777 1.4537 1.3776 1.4532 1.2065 1.2056 1.2056 1.2065 1.5563 1.5457 1.5473 1.1195 1.5473 1.5457 1.1195 1.5426 1.5151 1.1206 1.5402 1.5145 1.1196 1.5402 1.5145 1.1196 1.5426 1.5151 1.1206 1.1033 1.1116 1.1116 1.1033 1.0945 1.0946 1.095 1.0944 1.0955 1.0951 1.0944 1.0955 1.0951 1.0945 1.0946 1.095 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 17 18 19 20 10 10 10 11 11 12 9 9 9 13 13 14 9 9 9 15 15 17 9 9 9 16 16 18 10 10 10 15 15 19 10 10 10 16 16 20 11 11 11 13 13 31 12 12 12 14 14 33 1 1 5 2 2 6 3 3 7 4 4 8 1 1 1 35 35 36 2 2 2 38 38 39 3 3 3 41 41 42 4 4 4 44 44 45 1 2 3 4 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 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 21 22 23 24 11 12 25 12 25 25 13 14 26 14 26 26 15 17 27 17 27 27 16 18 28 18 28 28 15 19 29 19 29 29 16 20 30 20 30 30 13 31 32 31 32 32 14 33 34 33 34 34 5 11 11 6 12 12 7 13 13 8 14 14 35 36 37 36 37 37 38 39 40 39 40 40 41 42 43 42 43 43 44 45 46 45 46 46 116.7211 116.9888 116.9887 116.7205 107.1573 106.2686 109.416 113.6346 110.0087 110.1825 106.2671 107.1589 109.4172 113.6352 110.1802 110.0092 106.3461 111.4983 110.5785 111.1863 109.4765 107.7656 105.6819 110.9205 110.2367 111.5266 109.7836 108.6726 105.6787 110.9217 110.2372 111.5288 109.7831 108.6724 106.3484 111.4979 110.5772 111.1896 109.4782 107.7603 105.3423 111.5983 111.4197 112.2243 110.4369 105.9306 105.3476 110.4379 112.2237 111.418 111.5968 105.9282 122.0965 108.2975 129.604 122.397 107.8392 129.7591 122.3977 107.8387 129.7588 122.0957 108.2997 129.6027 109.7454 109.3697 102.5617 110.7347 112.0826 112.0226 102.9227 110.5539 108.0965 112.0482 112.0147 110.8673 102.9229 110.554 108.0955 112.0485 112.0145 110.8679 109.745 109.3701 102.5614 110.7348 112.0829 112.0226 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 21 21 17 17 17 22 22 18 18 18 23 23 19 19 19 24 24 20 20 20 11 11 11 12 12 12 25 25 25 10 10 10 12 12 12 25 25 25 10 10 10 11 11 11 25 25 25 9 9 9 14 14 14 26 26 26 9 9 9 13 13 13 26 26 26 9 9 9 17 17 17 27 27 27 9 9 15 15 27 27 9 9 9 18 18 18 28 28 28 9 9 16 16 28 28 10 10 10 19 19 19 29 29 29 10 10 15 15 29 29 10 10 10 20 20 20 30 30 30 10 10 16 16 30 30 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 17 17 21 21 21 18 18 22 22 22 19 19 23 23 23 20 20 24 24 24 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 17 17 17 17 17 17 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 15 15 15 15 15 15 15 15 15 19 19 19 19 19 19 16 16 16 16 16 16 16 16 16 20 20 20 20 20 20 5 11 35 36 37 6 12 38 39 40 7 13 41 42 43 8 14 44 45 46 13 14 26 13 14 26 13 14 26 15 17 27 15 17 27 15 17 27 16 18 28 16 18 28 16 18 28 15 19 29 15 19 29 15 19 29 16 20 30 16 20 30 16 20 30 13 31 32 13 31 32 13 31 32 1 5 1 5 1 5 14 33 34 14 33 34 14 33 34 2 6 2 6 2 6 11 31 32 11 31 32 11 31 32 3 7 3 7 3 7 12 33 34 12 33 34 12 33 34 4 8 4 8 4 8 1.3284 -179.13 -57.6933 63.9695 -176.9818 4.9161 -175.802 -161.8885 -42.0631 79.4537 4.9282 -175.7925 -161.8893 -42.0635 79.4535 1.3266 -179.1351 -57.7021 63.9608 -176.9905 -6.4332 -128.2486 112.5064 115.3814 -6.434 -125.679 -125.6761 112.5086 -6.7364 -12.5899 -133.9428 106.1781 -129.6636 108.9834 -10.8956 106.2706 -15.0823 -134.9614 23.0256 144.0457 -95.5412 140.6156 -98.3642 22.0489 -95.4128 25.6074 146.0205 23.0389 144.0604 -95.5256 140.6303 -98.3482 22.0659 -95.3988 25.6227 146.0367 -12.5755 -133.9336 106.1952 -129.6488 108.9931 -10.8781 106.2877 -15.0704 -134.9417 26.8885 148.9241 -92.8852 148.4407 -89.5236 28.6671 -92.6003 29.4353 147.626 -169.0606 10.4354 72.4448 -108.0592 -47.5344 131.9616 -30.9062 89.5175 -152.5374 -151.5318 -31.1081 86.837 87.9617 -151.6146 -33.6695 87.3062 -93.4826 -155.1868 24.0244 -34.0311 145.1802 -30.928 -152.5581 89.494 -151.5544 86.8155 -31.1323 87.9383 -33.6918 -151.6397 87.2998 -93.4918 -155.195 24.0134 -34.0386 145.1697 26.866 -92.9111 148.9034 148.4211 28.644 -89.5415 -92.6235 147.5994 29.4139 -169.1779 10.3146 72.3228 -108.1848 -47.6569 131.8355 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 270 276 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= 17766 NPrTT= 90670 LenC2= 15250 LenP2D= 47189. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 284 RedAO= T EigKep= 8.59D-04 NBF= 284 NBsUse= 284 1.00D-06 EigRej= -1.00D+00 NBFU= 284 Using GEDIIS/GDIIS optimizer. local minimum Step number 16 out of a maximum of 270 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00049 0.00105 0.00351 0.00426 0.00476 0.00566 0.00574 0.00696 0.00961 0.00982 0.00988 0.01398 0.01932 0.01979 0.01988 0.02039 0.02121 0.02655 0.02676 0.03452 0.03757 0.03846 0.03885 0.04004 0.04174 0.04411 0.04448 0.04503 0.04715 0.04738 0.04852 0.05002 0.05064 0.05093 0.05113 0.05417 0.05518 0.05742 0.06142 0.06169 0.06498 0.06556 0.06690 0.06744 0.07331 0.09177 0.10080 0.10159 0.10169 0.10205 0.10604 0.10641 0.10642 0.10666 0.12024 0.12771 0.13370 0.14482 0.15663 0.16000 0.16000 0.16000 0.16000 0.16007 0.16013 0.16025 0.16030 0.16062 0.16072 0.16592 0.16814 0.18125 0.18441 0.21314 0.23541 0.24455 0.24830 0.24963 0.24989 0.24999 0.25000 0.25000 0.25001 0.25025 0.25073 0.25402 0.26085 0.26637 0.27031 0.27474 0.27718 0.27910 0.28030 0.29241 0.30843 0.30855 0.30901 0.31067 0.31511 0.31546 0.31614 0.31617 0.31618 0.32040 0.32429 0.32612 0.33320 0.33387 0.34182 0.34212 0.34226 0.34245 0.34245 0.34253 0.34290 0.34295 0.34296 0.34307 0.34308 0.34553 0.37775 0.37829 0.37920 0.39711 0.49534 0.49547 0.49662 0.51596 0.89781 1.01617 1.01789 1.02063 RFO step: Lambda=-5.30735679D-08. 1 2 3 0.00122762 0.00000103 0.00000000 0.00000087 0.00000005 0.00000005 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 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 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 2.64140 2.80323 2.64258 2.80472 2.64258 2.80472 2.64139 2.80323 2.36663 2.36492 2.36492 2.36663 2.96710 2.92763 2.96609 2.08823 2.96609 2.92763 2.08823 2.95155 2.87267 2.09288 2.92239 2.86771 2.09080 2.92238 2.86771 2.09080 2.95156 2.87268 2.09289 2.08353 2.08920 2.08920 2.08353 2.08461 2.08397 2.07648 2.07688 2.08355 2.08398 2.07688 2.08356 2.08398 2.08461 2.08397 2.07648 2.01915 2.01801 2.01800 2.01914 1.85809 1.84015 1.92117 2.03590 1.89958 1.90618 1.84013 1.85810 1.92118 2.03591 1.90616 1.89958 1.81787 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0.00005 0.00022 0.00007 0.00021 0.00039 0.00023 -0.00115 -0.00141 -0.00100 -0.00125 -0.00109 -0.00134 0.00015 0.00017 0.00033 0.00005 0.00007 0.00023 0.00022 0.00024 0.00040 -0.00139 -0.00108 -0.00124 -0.00093 -0.00133 -0.00102 -0.00033 -0.00049 -0.00041 -0.00046 -0.00062 -0.00055 -0.00046 -0.00062 -0.00054 0.00083 0.00089 0.00085 0.00091 0.00076 0.00082 2.64147 2.80311 2.64273 2.80460 2.64273 2.80460 2.64147 2.80311 2.36664 2.36490 2.36490 2.36664 2.96735 2.92762 2.96589 2.08823 2.96590 2.92762 2.08823 2.95148 2.87271 2.09288 2.92235 2.86777 2.09082 2.92235 2.86777 2.09082 2.95148 2.87272 2.09289 2.08355 2.08918 2.08918 2.08355 2.08462 2.08399 2.07650 2.07690 2.08356 2.08398 2.07690 2.08357 2.08398 2.08462 2.08399 2.07650 2.01913 2.01805 2.01804 2.01912 1.85807 1.84012 1.92107 2.03599 1.89946 1.90635 1.84010 1.85808 1.92108 2.03600 1.90633 1.89947 1.81796 1.98540 1.93158 1.97017 1.88598 1.87135 1.81402 1.93841 1.90425 1.98644 1.92749 1.89155 1.81400 1.93843 1.90425 1.98644 1.92748 1.89156 1.81799 1.98537 1.93157 1.97018 1.88599 1.87133 1.79212 1.96046 1.93748 1.97721 1.90905 1.88681 1.79215 1.90903 1.97721 1.93748 1.96046 1.88680 2.14253 1.92398 2.21657 2.15100 1.92417 2.20717 2.15100 1.92418 2.20717 2.14253 1.92399 2.21656 1.92237 1.92547 1.82888 1.90464 1.94001 1.94172 1.83107 1.92713 1.90825 1.94354 1.93957 1.91284 1.83107 1.92713 1.90827 1.94353 1.93958 1.91284 1.92237 1.92547 1.82888 1.90464 1.94001 1.94172 0.01027 -3.11680 -1.08392 1.01978 3.11133 0.09704 -3.00301 -3.01544 -0.91959 1.18627 0.09707 -3.00310 -3.01567 -0.91984 1.18602 0.01031 -3.11686 -1.08396 1.01974 3.11129 -0.02323 -2.19667 2.03064 2.15019 -0.02325 -2.07912 -2.07910 2.03066 -0.02522 -0.40942 -2.56163 1.61353 -2.45679 1.67419 -0.43384 1.66067 -0.49154 -2.59957 0.45144 2.59430 -1.60491 2.50862 -1.63171 0.45227 -1.61236 0.53050 2.61448 0.45149 2.59435 -1.60484 2.50867 -1.63165 0.45235 -1.61231 0.53055 2.61456 -0.40936 -2.56157 1.61362 -2.45671 1.67426 -0.43373 1.66076 -0.49146 -2.59945 0.69118 2.82110 -1.34724 2.85328 -1.30000 0.81485 -1.36348 0.76644 2.88128 -2.96389 0.19299 1.25252 -1.87379 -0.82243 2.33445 -0.70400 1.35463 -2.82254 -2.81495 -0.75632 1.34969 1.33619 -2.88837 -0.78235 1.55635 -1.54205 -2.68696 0.49782 -0.53521 2.64958 -0.70410 -2.82261 1.35454 -2.81506 1.34961 -0.75643 1.33608 -0.78244 -2.88847 1.55678 -1.54174 -2.68654 0.49813 -0.53479 2.64987 0.69109 -1.34733 2.82103 2.85317 0.81475 -1.30008 -1.36359 2.88118 0.76635 -2.96433 0.19245 1.25206 -1.87434 -0.82290 2.33388 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000053 0.000010 0.006409 0.001228 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -9.739557e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 1 2 2 3 3 4 4 5 6 7 8 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 21 21 21 22 22 22 23 23 23 24 24 24 17 21 18 22 19 23 20 24 17 18 19 20 10 11 12 25 13 14 26 15 17 27 16 18 28 15 19 29 16 20 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 1.3978 1.4834 1.3984 1.4842 1.3984 1.4842 1.3978 1.4834 1.2524 1.2515 1.2515 1.2524 1.5701 1.5492 1.5696 1.105 1.5696 1.5492 1.105 1.5619 1.5202 1.1075 1.5465 1.5175 1.1064 1.5465 1.5175 1.1064 1.5619 1.5202 1.1075 1.1026 1.1056 1.1056 1.1026 1.1031 1.1028 1.0988 1.099 1.1026 1.1028 1.099 1.1026 1.1028 1.1031 1.1028 1.0988 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 17 18 19 20 10 10 10 11 11 12 9 9 9 13 13 14 9 9 9 15 15 17 9 9 9 16 16 18 10 10 10 15 15 19 10 10 10 16 16 20 11 11 11 13 13 31 12 12 12 14 14 33 1 1 5 2 2 6 3 3 7 4 4 8 1 1 1 35 35 36 2 2 2 38 38 39 3 3 3 41 41 42 4 4 4 44 44 45 1 2 3 4 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 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 21 22 23 24 11 12 25 12 25 25 13 14 26 14 26 26 15 17 27 17 27 27 16 18 28 18 28 28 15 19 29 19 29 29 16 20 30 20 30 30 13 31 32 31 32 32 14 33 34 33 34 34 5 11 11 6 12 12 7 13 13 8 14 14 35 36 37 36 37 37 38 39 40 39 40 40 41 42 43 42 43 43 44 45 46 45 46 46 115.6885 115.6237 115.6231 115.6881 106.4609 105.4329 110.0748 116.6482 108.8379 109.2161 105.4318 106.4612 110.0756 116.6492 109.2149 108.8382 104.1563 113.7627 110.6695 112.8865 108.0519 107.2214 103.9294 111.0621 109.1047 113.8137 110.4372 108.3858 103.9286 111.063 109.1046 113.8141 110.4363 108.3864 104.1577 113.7612 110.6693 112.8864 108.0531 107.2208 102.6765 112.3266 111.0044 113.2916 109.3766 108.1121 102.6782 109.3756 113.2919 111.004 112.3267 108.1115 122.7581 110.2359 126.9998 123.2438 110.2523 126.4551 123.2444 110.2531 126.4552 122.758 110.2368 126.9994 110.1396 110.3192 104.7845 109.1304 111.1563 111.2569 104.9075 110.4128 109.3344 111.3649 111.134 109.5937 104.9072 110.4128 109.3349 111.3646 111.1344 109.5935 110.1397 110.319 104.7845 109.1304 111.1563 111.257 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 21 21 17 17 17 22 22 18 18 18 23 23 19 19 19 24 24 20 20 20 11 11 11 12 12 12 25 25 25 10 10 10 12 12 12 25 25 25 10 10 10 11 11 11 25 25 25 9 9 9 14 14 14 26 26 26 9 9 9 13 13 13 26 26 26 9 9 9 17 17 17 27 27 27 9 9 15 15 27 27 9 9 9 18 18 18 28 28 28 9 9 16 16 28 28 10 10 10 19 19 19 29 29 29 10 10 15 15 29 29 10 10 10 20 20 20 30 30 30 10 10 16 16 30 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 17 17 21 21 21 18 18 22 22 22 19 19 23 23 23 20 20 24 24 24 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 17 17 17 17 17 17 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 15 15 15 15 15 15 15 15 15 19 19 19 19 19 19 16 16 16 16 16 16 16 16 16 20 20 20 20 20 5 11 35 36 37 6 12 38 39 40 7 13 41 42 43 8 14 44 45 46 13 14 26 13 14 26 13 14 26 15 17 27 15 17 27 15 17 27 16 18 28 16 18 28 16 18 28 15 19 29 15 19 29 15 19 29 16 20 30 16 20 30 16 20 30 13 31 32 13 31 32 13 31 32 1 5 1 5 1 5 14 33 34 14 33 34 14 33 34 2 6 2 6 2 6 11 31 32 11 31 32 11 31 32 3 7 3 7 3 7 12 33 34 12 33 34 12 33 34 4 8 4 8 4 0.5818 -178.5704 -62.1634 58.3688 178.2085 5.5432 -172.0628 -172.7292 -52.6412 68.008 5.5609 -172.0828 -172.7443 -52.6569 67.9924 0.5934 -178.5837 -62.1659 58.3662 178.2059 -1.3171 -125.8412 116.3538 123.2063 -1.3178 -119.1228 -119.1212 116.3546 -1.4504 -23.4787 -146.7969 92.4165 -140.784 95.8977 -24.8889 95.14 -28.1783 -148.9649 25.863 148.6348 -91.9532 143.7306 -93.4976 25.9144 -92.3869 30.3848 149.7969 25.866 148.6381 -91.9487 143.7338 -93.4941 25.9191 -92.3837 30.3884 149.8017 -23.4746 -146.7928 92.4225 -140.7794 95.9024 -24.8823 95.1453 -28.173 -148.9576 39.621 161.6608 -77.1632 163.5078 -74.4524 46.7236 -78.0948 43.945 165.1211 -169.8777 11.0149 71.7034 -107.4039 -47.1775 133.7152 -40.3447 77.5962 -161.7289 -161.2878 -43.3469 77.328 76.5456 -165.5135 -44.8386 89.2382 -88.2725 -153.8943 28.5951 -30.6029 151.8865 -40.3503 -161.7333 77.5906 -161.294 77.323 -43.3532 76.539 -44.844 -165.5202 89.2767 -88.2731 -153.856 28.5941 -30.565 151.8851 39.6151 -77.1686 161.6563 163.501 46.7173 -74.4578 -78.1015 165.1147 43.9396 -169.891 10.9755 71.6895 -107.444 -47.1925 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 320.1663999999998 AuxInfo=1/0/N:21,23,22,24,15,16,11,13,12,14,9,10,17,19,18,20,5,7,6,8,1,3,2,4/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12)(13,14,15,16)(17,18,19,20)(21,22,23,24)/CRV:13.3,14.3,15.3,16.3,17.1,18.1,19.1,20.1/rA:46OOOOO1O1O1O1CCCCCCCCC3C3C3C3CCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s9;s10;s10;s11s13;s12s14;s1s5s11;s2s6s12;s3s7s13;s4s8s14;s1;s2;s3;s4;s9;s10;s11;s12;s13;s14;s15;s15;s16;s16;s21;s21;s21;s22;s22;s22;s23;s23;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.325912 0.000000 6.652203 7.524032 0.000000 8.317315 6.650926 4.327673 0.000000 2.262673 3.684476 6.633602 7.568760 0.000000 5.899303 2.265221 7.443193 5.570303 4.517494 0.000000 5.572601 7.443551 2.265226 5.900460 5.459642 7.533799 0.000000 7.569237 6.634208 3.683028 2.262666 6.480553 5.460349 4.516266 0.000000 3.713928 3.134645 4.569054 4.762693 2.903339 3.341450 4.380435 4.120388 0.000000 4.763115 4.569103 3.134595 3.714136 4.120147 4.380214 3.341537 2.903129 1.556310 0.000000 2.346023 3.464437 4.786782 5.972500 2.466140 4.473499 4.258159 5.364685 1.545716 2.496123 0.000000 4.587454 2.338821 5.378078 4.439884 3.929998 2.466334 5.689416 4.485254 1.547313 2.483041 2.588649 0.000000 4.440729 5.378242 2.338811 4.588526 4.484682 5.689276 2.466328 3.929289 2.483024 1.547322 2.451375 3.489411 0.000000 5.972462 4.786847 3.464155 2.346057 5.364773 4.257940 4.473410 2.466131 2.496143 1.545708 3.627105 2.451452 2.588658 0.000000 2.986683 4.978269 3.666409 5.968986 3.440571 5.767648 2.934748 5.191654 2.472069 2.460591 1.542634 3.693273 1.540204 3.758189 0.000000 5.968230 3.666360 4.977948 2.985496 5.192272 2.934740 5.767679 3.441419 2.460634 2.472094 3.758132 1.540200 3.693193 1.542627 4.452797 0.000000 1.377581 3.579355 6.002920 7.252688 1.206516 4.764959 4.988854 6.384863 2.530078 3.696204 1.515106 3.563998 3.743844 4.938230 2.522824 4.890069 0.000000 4.919542 1.377662 6.794033 5.455837 3.884264 1.205607 6.881525 5.412324 2.522197 3.745138 3.452746 1.514515 4.858265 3.762166 4.814840 2.525436 3.875536 0.000000 5.457474 6.794233 1.377661 4.920851 5.411671 6.881371 1.205606 3.883045 3.745221 2.522221 3.762234 4.858278 1.514512 3.452610 2.525471 4.814735 4.810380 6.180360 0.000000 7.252880 6.002779 3.579305 1.377582 6.384713 4.988343 4.764892 1.206519 3.696151 2.530067 4.938200 3.743833 3.564091 1.515108 4.890086 2.522869 6.131669 4.810103 3.875501 0.000000 1.453196 5.119142 7.936014 9.634555 2.686426 6.707553 6.608515 8.741467 4.929648 6.041953 3.710991 5.792845 5.786770 7.301671 4.307180 7.217274 2.410354 5.854130 6.672996 8.521545 0.000000 5.063432 1.453667 8.900434 7.851659 4.239031 2.699401 8.671067 7.762743 4.401233 5.874238 4.689096 3.706490 6.739853 6.115322 6.229097 4.903737 4.426694 2.414287 8.111928 7.217791 5.504630 0.000000 7.853349 8.900404 1.453670 5.065064 7.762075 8.670599 2.699420 4.237176 5.874182 4.401123 6.115316 6.739646 3.706478 4.688680 4.903814 6.228693 7.218052 8.111662 2.414287 4.426403 9.055373 10.249068 0.000000 9.634641 7.934687 5.120920 1.453197 8.740831 6.606161 6.708651 2.686399 6.041518 4.929789 7.301660 5.786005 5.793809 3.711015 7.217923 4.306292 8.521305 6.671368 5.855371 2.410348 10.917101 9.053552 5.506404 0.000000 3.886337 3.237941 5.208538 5.243400 2.401345 3.071953 4.688087 4.239943 1.119469 2.198553 2.196952 2.200596 3.275480 3.189916 3.123076 3.019718 2.529913 2.558668 4.282656 4.079100 4.860071 4.236556 6.381560 6.380257 0.000000 5.244184 5.208525 3.238011 3.886402 4.239468 4.687818 3.072059 2.401164 2.198570 1.119470 3.189894 3.275525 2.200575 2.196952 3.019524 3.123248 4.079197 4.282546 2.558728 2.529875 6.381076 6.381550 4.236544 4.860064 2.303952 0.000000 2.491338 3.201206 5.259622 6.223755 3.197869 4.621407 5.051447 6.003200 2.205158 3.152006 1.120626 2.596646 2.977371 3.926112 2.188219 3.861526 2.141838 3.462157 4.410099 5.380165 3.896353 4.483133 6.659977 7.629769 3.026790 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1.17432 0.81430 0.75227 0.66863 0.76548 0.93231 0.95494 0.10121 0.16780 0.18098 1.17432 0.81430 0.75227 0.66864 0.76527 0.93241 0.95505 0.10110 0.16785 0.18104 1.17433 0.81430 0.75355 0.66273 0.76486 0.94159 0.94416 0.09953 0.18140 0.17055 0.50733 0.18487 0.50732 0.18486 0.50718 0.21750 0.50898 0.22433 0.50898 0.22434 0.50717 0.21749 0.51456 0.24347 0.50762 0.23186 0.50763 0.23186 0.51455 0.24347 0.51368 0.24911 0.51411 0.24666 0.51524 0.25243 0.51570 0.25495 0.51115 0.24315 0.51390 0.24204 0.51571 0.25496 0.51115 0.24315 0.51390 0.24202 0.51368 0.24911 0.51411 0.24665 0.51524 0.25243 -0.0028 0.0018 4.1371 4.1371 -105.6581 -140.9060 -149.2220 5.7812 0.0192 -0.0059 26.2706 -8.9773 -17.2933 5.7812 0.0192 -0.0059 -0.0632 0.0278 40.5934 0.0252 0.0475 17.0164 0.0239 0.0189 31.2446 -17.8194 -5604.1704 -4031.1188 -528.1313 51.6184 -0.5102 140.8107 -0.3326 -1.3789 -0.4003 -1363.6981 -1338.3180 -775.5815 -0.0948 -0.2268 0.3220 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 320.1663999999998 AuxInfo=1/0/N:21,23,22,24,15,16,11,13,12,14,9,10,17,19,18,20,5,7,6,8,1,3,2,4/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12)(13,14,15,16)(17,18,19,20)(21,22,23,24)/CRV:13.3,14.3,15.3,16.3,17.1,18.1,19.1,20.1/rA:46OOOOO1O1O1O1CCCCCCCCC3C3C3C3CCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s9;s10;s10;s11s13;s12s14;s1s5s11;s2s6s12;s3s7s13;s4s8s14;s1;s2;s3;s4;s9;s10;s11;s12;s13;s14;s15;s15;s16;s16;s21;s21;s21;s22;s22;s22;s23;s23;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.321604 0.000000 6.752315 7.653882 0.000000 8.364366 6.752475 4.322514 0.000000 2.327347 3.408663 6.947176 7.773625 0.000000 5.849780 2.332472 7.580198 5.883845 4.187132 0.000000 5.884099 7.579768 2.332476 5.849854 5.872847 7.468019 0.000000 7.773572 6.947247 3.409107 2.327345 6.944453 5.873093 4.186714 0.000000 3.781193 3.224617 4.655744 4.858065 2.936958 3.324392 4.402396 4.290830 0.000000 4.858096 4.655472 3.225041 3.781208 4.290807 4.402355 3.324411 2.936861 1.570123 0.000000 2.394681 3.556273 4.818898 5.988335 2.484092 4.456719 4.352274 5.434326 1.549235 2.498793 0.000000 4.634444 2.393230 5.482053 4.474022 3.813511 2.475068 5.733998 4.623953 1.569586 2.498101 2.654239 0.000000 4.474050 5.481733 2.393237 4.634604 4.623791 5.733964 2.475064 3.813240 2.498086 1.569589 2.427169 3.587741 0.000000 5.988290 4.818941 3.556789 2.394697 5.434422 4.352240 4.456708 2.484095 2.498795 1.549233 3.604601 2.427202 2.654253 0.000000 3.069730 5.098335 3.735131 6.023053 3.497652 5.722467 2.973286 5.115355 2.454226 2.454324 1.561894 3.807626 1.546459 3.804464 0.000000 6.022937 3.735272 5.098843 3.069607 5.115603 2.973285 5.722509 3.497932 2.454338 2.454250 3.804452 1.546461 3.807629 1.561898 4.548342 0.000000 1.397766 3.482955 6.179127 7.359964 1.252364 4.623016 5.299210 6.673749 2.570785 3.808365 1.520150 3.537982 3.808170 4.966768 2.568490 4.886047 0.000000 4.891325 1.398394 6.921955 5.633768 3.613347 1.251464 6.913504 5.743361 2.545290 3.790965 3.472325 1.517529 4.929688 3.810100 4.849308 2.567010 3.760264 0.000000 5.633892 6.921616 1.398392 4.891468 5.743156 6.913481 1.251464 3.612942 3.790976 2.545302 3.810092 4.929698 1.517525 3.472316 2.567010 4.849324 5.027941 6.254724 0.000000 7.359950 6.179149 3.483792 1.397763 6.673758 5.299097 4.622995 1.252366 3.808338 2.570767 4.966759 3.808183 3.538025 1.520157 4.886052 2.568498 6.301309 5.027898 3.760287 0.000000 1.483404 5.005474 8.136244 9.737278 2.733215 6.567776 7.042363 9.058857 5.003762 6.183283 3.771072 5.799785 5.877687 7.347356 4.414139 7.243942 2.439638 5.748558 6.949813 8.703662 0.000000 5.011493 1.484193 9.036639 8.032473 3.844190 2.744237 8.769133 8.148622 4.466658 5.954109 4.747923 3.764815 6.821142 6.177033 6.287096 4.982293 4.274504 2.439970 8.222789 7.458380 5.295927 0.000000 8.032356 9.036753 1.484193 5.012591 8.148634 8.769802 2.744249 3.844955 5.954510 4.467179 6.177050 6.821605 3.764838 4.748547 4.982158 6.287797 7.458441 8.223308 2.439961 4.275535 9.357148 10.388530 0.000000 9.737264 8.136476 5.006288 1.483407 9.058893 7.042238 6.567706 2.733205 6.183263 5.003742 7.347367 5.877725 5.799840 3.771087 7.243966 4.414149 8.703668 6.949788 5.748563 2.439632 11.100862 9.357351 5.297025 0.000000 3.981116 3.359042 5.299014 5.430653 2.491948 3.017362 4.647195 4.543490 1.105046 2.208511 2.174126 2.196921 3.240055 3.218440 2.984345 2.964438 2.609120 2.586228 4.300337 4.291432 4.971612 4.319501 6.460621 6.640509 0.000000 5.430749 5.298655 3.359650 3.981065 4.543403 4.647156 3.017375 2.491885 2.208520 1.105045 3.218438 3.240087 2.196907 2.174126 2.964379 2.984420 4.291487 4.300328 2.586244 2.609070 6.640574 6.460077 4.320292 4.971537 2.328892 0.000000 2.527636 3.452806 5.047216 6.047397 3.217268 4.765657 4.997235 5.891074 2.199538 3.026752 1.107506 2.719541 2.786975 3.765820 2.176727 3.927004 2.129394 3.612331 4.260157 5.224897 3.961364 4.745903 6.489175 7.474472 3.049726 3.956161 0.000000 4.485068 2.444896 5.579324 4.748102 4.204149 3.285202 6.070290 5.230291 2.196473 3.001978 2.702774 1.106406 3.697262 2.800010 3.887712 2.193303 3.663932 2.141539 5.140426 4.269604 5.716049 3.922391 7.002981 6.217385 3.055555 3.950504 2.307798 0.000000 4.747962 5.579108 2.444730 4.485361 5.230131 6.070233 3.285203 4.203922 3.001919 2.196474 2.799898 3.697221 1.106406 2.702813 2.193290 3.887683 4.269486 5.140385 2.141543 3.664059 6.217210 7.002675 3.922226 5.716227 3.950441 3.055559 2.710639 3.499205 0.000000 6.047358 5.047491 3.452996 2.527755 5.891246 4.997305 4.765568 3.217098 3.026809 2.199536 3.765867 2.787094 2.719533 1.107510 3.927053 2.176749 5.224941 4.260277 3.612235 2.129396 7.474477 6.489429 4.746123 3.961396 3.956211 3.049704 3.619170 2.710866 2.307817 0.000000 2.956093 5.714986 4.051479 6.781713 4.064856 6.636146 3.371848 5.999946 3.431206 3.441983 2.227897 4.638182 2.226108 4.652791 1.102556 5.449811 2.975011 5.669382 3.011765 5.733598 4.268459 6.884938 5.254755 8.002392 4.012420 4.005602 2.450133 4.503916 2.494496 4.565340 0.000000 3.351577 5.580276 4.057441 6.502297 3.373285 5.946166 2.627767 5.219788 2.845125 2.823956 2.213516 4.374377 2.179052 4.339275 1.105559 5.048859 2.746652 5.247116 2.700014 5.236868 4.462426 6.623017 5.084952 7.613707 2.978994 2.925108 3.093700 4.672976 3.089423 4.678937 1.787671 0.000000 6.502280 4.057440 5.580971 3.351295 5.220076 2.627687 5.946299 3.373713 2.824012 2.845198 4.339318 2.179040 4.374439 2.213515 5.048906 1.105559 5.236937 2.699954 5.247212 2.746609 7.613778 5.084912 6.623984 4.462324 2.925222 2.979139 4.678939 3.089413 4.672999 3.093704 6.050510 5.336334 0.000000 6.781510 4.051876 5.715427 2.956004 6.000234 3.371918 6.636153 4.065179 3.441983 3.431213 4.652745 2.226112 4.638152 2.227900 5.449786 1.102554 5.733551 3.011806 5.669358 2.975061 8.002307 5.255226 6.885574 4.268545 4.005662 4.012489 4.565249 2.494488 4.503845 2.450129 6.262825 6.050448 1.787664 0.000000 2.131717 4.498626 8.788679 9.934567 2.739807 6.165528 7.803859 9.391936 5.178675 6.531074 4.142532 5.729272 6.448302 7.567264 5.083174 7.234322 2.745450 5.409720 7.634647 8.965142 1.103127 4.532303 10.063492 11.323707 5.082189 7.011656 4.263376 5.651239 6.755517 7.722040 5.076082 5.184721 7.562474 7.919705 0.000000 2.133718 5.564788 8.245648 10.015925 2.698104 6.812423 6.866625 9.090621 5.226480 6.330835 4.113812 6.210626 6.055019 7.626005 4.548717 7.574022 2.720625 6.135900 6.964569 8.882402 1.102790 5.782779 9.360325 11.314070 5.000061 6.612030 4.557037 6.299188 6.564387 7.879537 4.488522 4.323339 7.816115 8.427632 1.797328 0.000000 2.059081 5.815002 8.550138 10.408358 3.797972 7.534960 7.520635 9.799551 5.821814 6.900372 4.451408 6.591143 6.393634 8.040695 4.923248 8.033835 3.317560 6.638485 7.417772 9.412814 1.098828 6.134734 9.759602 11.786292 5.914555 7.422972 4.459529 6.367000 6.615876 8.047521 4.536011 5.055097 8.494994 8.745226 1.816390 1.817204 0.000000 4.973180 2.061547 9.581672 8.774194 4.245787 3.799824 9.342158 8.986935 5.125199 6.631789 5.120051 4.453422 7.317698 6.877030 6.669895 5.766183 4.531141 3.316509 8.769727 8.238121 5.108119 1.099035 10.980651 10.147669 5.100217 7.235212 4.945504 4.368371 7.400459 7.051020 7.115693 7.080410 6.006799 5.973769 4.237424 5.735991 5.808062 0.000000 6.075763 2.135415 9.568321 8.061690 4.784597 2.602091 9.426661 8.332079 5.060393 6.441991 5.582838 4.130518 7.469200 6.453840 7.103693 5.088420 5.258511 2.682264 8.842019 7.617236 6.392182 1.102569 10.891023 9.313161 4.885847 6.898068 5.578885 4.359264 7.631150 6.804744 7.772039 7.439375 5.073750 5.200631 5.620938 6.844932 7.237101 1.818363 0.000000 4.810107 2.121976 9.106088 8.378698 3.274965 2.860481 8.561800 8.190936 4.455051 5.977465 4.715859 4.093134 6.847615 6.421437 6.176760 5.314023 3.996041 2.777110 8.165605 7.651700 4.916976 1.102795 10.398862 9.663025 4.059655 6.332026 4.942554 4.449946 7.191479 6.867457 6.815498 6.332384 5.262381 5.768363 4.148137 5.217575 5.854954 1.816044 1.802033 0.000000 8.773915 9.581863 2.061544 4.974622 8.986927 9.342893 3.799848 4.246803 6.632182 5.125742 6.876979 7.318181 4.453426 5.120772 5.765996 6.670680 8.238090 8.770276 3.316514 4.532414 10.147309 10.980768 1.099035 5.109681 7.235765 5.101045 7.050669 7.400757 4.368166 4.945782 5.973220 6.006796 7.081482 7.116429 10.832177 10.230948 10.507646 11.549028 11.439062 11.082046 0.000000 8.061434 9.568183 2.135416 6.076798 8.331846 9.427151 2.602200 4.785220 6.442252 5.060810 6.453725 7.469519 4.130512 5.583366 5.088185 7.104263 7.617131 8.842368 2.682358 5.259421 9.312767 10.890719 1.102570 6.393241 6.898449 4.886512 6.804372 7.631327 4.359107 5.579077 5.200038 5.073698 7.440197 7.772558 10.109452 9.249896 9.640745 11.438612 11.473304 10.835765 1.818360 0.000000 8.378910 9.106465 2.121983 4.810989 8.191276 8.562745 2.860392 3.275764 5.978086 4.455683 6.421695 6.848288 4.093216 4.716516 5.314056 6.177617 7.652073 8.166385 2.776988 3.996989 9.663190 10.399142 1.102794 4.917792 6.332837 4.060593 6.867443 7.191979 4.449828 4.942757 5.768070 5.262579 6.333548 6.816271 10.321672 9.585187 10.166710 11.082213 10.836352 10.348601 1.816048 1.802030 0.000000 9.934522 8.788792 4.499355 2.131721 9.391936 7.803774 6.165482 2.739760 6.531043 5.178649 7.567223 6.448289 5.729269 4.142483 7.234304 5.083150 8.965128 7.634607 5.409702 2.745464 11.323672 10.063574 4.533378 1.103127 7.011635 5.082183 7.721916 6.755577 5.651298 4.263221 7.919711 7.562425 5.184696 5.076065 11.647162 11.497099 11.960570 10.832376 10.109741 10.321406 4.239002 5.622023 4.148871 0.000000 10.015909 8.245974 5.565506 2.133718 9.090651 6.866662 6.812139 2.698124 6.330833 5.226421 7.626001 6.055178 6.210578 4.113879 7.573938 4.548913 8.882405 6.964690 6.135732 2.720597 11.314071 9.360613 5.783803 1.102790 6.611970 4.999898 7.879555 6.564683 6.299287 4.557135 8.427592 7.815895 4.323424 4.488900 11.497137 11.449294 12.074134 10.231378 9.250418 9.585070 5.737488 6.845868 5.218392 1.797328 0.000000 10.408363 8.550432 5.815877 2.059083 9.799615 7.520386 7.534990 3.797962 6.900347 5.821821 8.040748 6.393635 6.591292 4.451430 8.033949 4.923168 9.412833 7.417672 6.638600 3.317554 11.786313 9.759893 6.135857 1.098828 7.422873 5.914484 8.047582 6.616056 6.367302 4.459636 8.745440 8.494996 5.054837 4.535988 11.960629 12.074154 12.445431 10.508145 9.641197 10.166628 5.809658 7.238231 5.855738 1.816390 1.817205 0.000000 0.3111823 0.1617132 0.1132296 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= 274 274 274 274 274 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 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= 17766 NPrTT= 90670 LenC2= 15151 LenP2D= 46874. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 284 RedAO= T EigKep= 7.62D-04 NBF= 284 NBsUse= 284 1.00D-06 EigRej= -1.00D+00 NBFU= 284 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= 272 272 272 272 272 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -1222.68889275136 -1222.83838205583 -0.149489304467 -1222.97172377888 -0.133341723052 -1222.15152136369 0.820202415191 -1223.12220433640 -0.970682972712 -1223.17624233220 -0.054037995803 -1223.19359752185 -0.017355189648 -1223.19389838210 -0.000300860252 -1223.19391000195 -0.000011619847 -1223.19391679620 -0.000006794249 -1223.19368725276 0.000229543435 -1223.19368771907 -0.000000466307 -1223.19368760510 0.000000113972 -1223.19368789155 -0.000000286453 -1223.19368791535 -0.000000023796 -1223.19368791564 -0.000000000297 -1223.19368791569 -0.000000000042 -1223.19368791569 -0.000000000002 -1223.19368792 18 1.218991263039e+03 -7.366243124775e+03 2.673404809050e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=830769123. IVT= 264018 IEndB= 264018 NGot= 939524096 MDV= 120329394 LenX= 120329394 LenY= 120248297 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= 40470 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -1.09604082e-03 6.98146879e-04 1.62765530e+00 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 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.004663715 -0.006529707 0.017719957 -0.004279951 -0.013265080 0.013160877 0.004263803 0.013258245 0.013170741 -0.004695687 0.006537939 0.017708936 -0.013453254 0.023620304 -0.064411874 0.013337229 0.047909068 -0.049215906 -0.013280053 -0.047884939 -0.049255145 0.013560936 -0.023670462 -0.064369765 -0.002104173 -0.003208400 -0.006918875 0.002118657 0.003204345 -0.006909598 -0.004626355 0.009074024 0.001290412 0.006753218 0.009060023 0.006350092 -0.006767435 -0.009065438 0.006328517 0.004626594 -0.009083525 0.001286176 -0.000233228 -0.012529337 -0.001303517 0.000242708 0.012540743 -0.001287684 0.014779978 -0.013630421 0.057565281 -0.002418949 -0.040306238 0.046260601 0.002365629 0.040280885 0.046285048 -0.014861079 0.013666443 0.057516640 -0.003056606 -0.004351488 0.003962491 -0.006110039 -0.000476961 0.002737146 0.006106322 0.000478924 0.002741185 0.003047408 0.004358293 0.003963278 0.001228094 -0.001486723 0.008486810 -0.001233339 0.001480513 0.008489926 0.001844812 -0.002481511 -0.009238556 0.000269601 0.000928449 -0.009333554 -0.000260344 -0.000921831 -0.009331868 -0.001840017 0.002486793 -0.009230539 -0.000220334 -0.000018315 0.000181573 0.002178143 0.003829209 0.001027848 -0.002180261 -0.003830406 0.001024984 0.000217645 0.000017493 0.000178309 -0.005561255 0.001934205 -0.003163060 -0.002922768 -0.003329917 -0.005469108 -0.006008058 -0.003158302 -0.001803063 -0.006860984 0.002086025 -0.001164779 -0.001248921 0.004568496 -0.001788552 -0.004931841 0.000876579 -0.004939449 0.006863128 -0.002084117 -0.001158364 0.001251972 -0.004568334 -0.001789878 0.004934870 -0.000872511 -0.004932197 0.005567872 -0.001931558 -0.003153418 0.002925140 0.003326303 -0.005468897 0.006007457 0.003162222 -0.001799179 0.064411874 0.016659799 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1223.22013193633 -1223.22014241507 -0.000010478741 -1223.22014242820 -0.000000013131 -1223.22014243271 -0.000000004507 -1223.22014245878 -0.000000026073 -1223.22014245939 -0.000000000611 -1223.22014245946 -0.000000000065 -1223.22014245944 0.000000000013 -1223.22014246 8 1.217658837735e+03 -7.320375750532e+03 2.651359245653e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=830769123. IVT= 264018 IEndB= 264018 NGot= 939524096 MDV= 120329394 LenX= 120329394 LenY= 120248297 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= 40470 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.811038 -18.811036 -18.806721 -18.806721 -18.764990 -18.764986 -18.759508 -18.759504 -10.030988 -10.030986 -10.026185 -10.026181 -9.953662 -9.953660 -9.946773 -9.946771 -9.927050 -9.927043 -9.925455 -9.925450 -9.917400 -9.917344 -9.910056 -9.910047 -1.011482 -1.011430 -1.005910 -1.005905 -0.933643 -0.933593 -0.929010 -0.928988 -0.806750 -0.750923 -0.719648 -0.692487 -0.670352 -0.662774 -0.648884 -0.638495 -0.625995 -0.568229 -0.560698 -0.532865 -0.513183 -0.503977 -0.500681 -0.484259 -0.480975 -0.460897 -0.454808 -0.449589 -0.430413 -0.425284 -0.422852 -0.417693 -0.414696 -0.414396 -0.409643 -0.407731 -0.405993 -0.394411 -0.384467 -0.383962 -0.379199 -0.376905 -0.363823 -0.360523 -0.359560 -0.350864 -0.349416 -0.328398 -0.327058 -0.320416 -0.313894 -0.306195 -0.302851 -0.302229 -0.302032 -0.300558 -0.291791 -0.289710 -0.283740 -0.261752 -0.261390 -0.255816 -0.255614 -0.233818 -0.231141 -0.227439 -0.223948 -0.054468 -0.051203 -0.045913 -0.041592 0.034515 0.035898 0.042760 0.045104 0.067036 0.071179 0.076268 0.080389 0.087435 0.096983 0.099068 0.101314 0.115023 0.128105 0.130089 0.130254 0.146499 0.150230 0.153988 0.154755 0.158002 0.160393 0.161900 0.167798 0.173175 0.173354 0.177999 0.178732 0.183332 0.183714 0.189468 0.191115 0.194678 0.196192 0.203739 0.212070 0.215651 0.221232 0.232508 0.233972 0.235162 0.240933 0.242822 0.244527 0.252031 0.257036 0.267303 0.268978 0.272732 0.279380 0.283305 0.291960 0.295214 0.298012 0.303334 0.304523 0.310419 0.325013 0.329728 0.329786 0.337645 0.343874 0.349846 0.356652 0.375626 0.383323 0.392668 0.392760 0.418759 0.422262 0.426940 0.431553 0.436153 0.445870 0.462372 0.463340 0.473979 0.480187 0.483811 0.485042 0.495345 0.497746 0.509601 0.511120 0.517629 0.525713 0.529186 0.544995 0.566550 0.577684 0.593049 0.633304 0.656275 0.663837 0.670131 0.684261 0.687195 0.702668 0.710601 0.716645 0.731272 0.743161 0.748413 0.750372 0.765880 0.774023 0.795093 0.807235 0.815552 0.833661 0.838020 0.844043 0.846270 0.854061 0.856829 0.862754 0.881060 0.887977 0.898361 0.898609 0.901195 0.909628 0.931908 0.962158 0.993851 0.996826 1.022628 1.026081 1.030040 1.042240 1.045502 1.058254 1.058538 1.062273 1.065170 1.070165 1.075941 1.078003 1.094001 1.100821 1.108302 1.111884 1.113617 1.149041 1.162494 1.163656 1.193788 1.220552 1.240789 1.303941 1.330641 1.360143 1.392489 1.504409 1.525741 1.539295 1.640487 1.671593 1.680124 1.691182 1.696237 1.754484 1.757325 1.769628 1.773618 22.365167 22.409331 22.490038 22.492633 22.503860 22.507463 22.509669 22.515390 22.553729 22.617892 22.627878 22.638134 22.686615 22.701765 22.728774 22.740602 41.499065 41.502904 41.512003 41.524811 41.547852 41.555776 41.563572 41.565836 29.115795 29.115799 29.115902 29.115926 29.116882 29.116883 29.116912 29.116912 15.956039 15.956164 15.955732 15.955985 15.958323 15.958440 15.958296 15.958413 15.955364 15.955959 15.955472 15.955950 15.957893 15.955460 15.956247 15.957060 2.488737 2.490126 2.492142 2.492199 2.823989 2.825199 2.823146 2.823774 1.339752 1.426179 1.526041 1.628407 1.628540 1.640146 1.638565 1.489664 1.631306 1.550459 1.646066 1.694052 1.214017 1.596434 1.884551 1.667688 1.613418 1.366201 1.157492 1.318031 1.400098 1.378366 1.405356 1.488533 1.340036 1.902182 1.961429 1.837559 2.021880 1.170323 1.633395 1.529843 1.569165 1.315272 1.366285 1.462768 1.460786 1.462406 1.509153 1.634479 1.597655 1.580748 1.734962 1.601636 2.084654 2.037946 1.769028 1.909177 1.724745 1.500428 1.406370 2.285672 2.291900 2.320165 2.315162 2.401251 2.419062 2.423016 2.422395 2.260127 2.299111 2.348920 2.315910 1.885961 1.885145 1.869904 2.001631 1.365452 1.497329 1.305343 1.254654 1.168852 1.482945 1.170757 1.374681 1.351636 1.433294 1.486824 1.265744 1.188673 2.105824 1.793414 1.285930 1.459925 1.133907 1.693702 1.417214 1.118692 1.123514 1.504739 1.393136 1.773986 1.533171 1.547846 1.711129 1.791354 1.751809 1.673023 1.497236 1.912629 1.541740 1.452562 1.262911 1.582431 1.824484 1.653955 1.495387 1.400146 1.479527 1.952138 1.573692 1.919192 1.508745 1.673091 2.224193 1.953616 1.909587 1.910132 2.462840 1.917605 1.822341 2.162055 2.056580 1.925968 1.648896 2.254181 1.809766 1.674334 2.252147 2.066379 2.347818 1.723518 2.332457 2.118199 2.080616 1.691089 2.235635 2.001642 2.235298 2.358670 2.142315 2.296095 2.101005 2.935421 3.010115 1.957551 2.203239 1.987115 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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 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AuxInfo=1/0/N:21,23,22,24,15,16,11,13,12,14,9,10,17,19,18,20,5,7,6,8,1,3,2,4/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12)(13,14,15,16)(17,18,19,20)(21,22,23,24)/CRV:13.3,14.3,15.3,16.3,17.1,18.1,19.1,20.1/rA:46OOOOO1O1O1O1CCCCCCCCC3C3C3C3CCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s9;s10;s10;s11s13;s12s14;s1s5s11;s2s6s12;s3s7s13;s4s8s14;s1;s2;s3;s4;s9;s10;s11;s12;s13;s14;s15;s15;s16;s16;s21;s21;s21;s22;s22;s22;s23;s23;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2032 CBGUSER 000246441 EM64L-G09RevD.01 29-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 132 C1[X(C16H22O8)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 320.1663999999998 0 1 AuxInfo=1/0/N:21,23,22,24,15,16,11,13,12,14,9,10,17,19,18,20,5,7,6,8,1,3,2,4/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12)(13,14,15,16)(17,18,19,20)(21,22,23,24)/CRV:13.3,14.3,15.3,16.3,17.1,18.1,19.1,20.1/rA:46OOOOO1O1O1O1CCCCCCCCC3C3C3C3CCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s9;s10;s10;s11s13;s12s14;s1s5s11;s2s6s12;s3s7s13;s4s8s14;s1;s2;s3;s4;s9;s10;s11;s12;s13;s14;s15;s15;s16;s16;s21;s21;s21;s22;s22;s22;s23;s23;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-1303.inp" -scrdir="/scratch/" chk=000246441-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 000246441 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 16 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000181 0.000034 0.082126 0.025563 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -4.121296e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2228.1375189298 284 664 284 91 91 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 0 320.1663999999998 AuxInfo=1/0/N:21,23,22,24,15,16,11,13,12,14,9,10,17,19,18,20,5,7,6,8,1,3,2,4/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12)(13,14,15,16)(17,18,19,20)(21,22,23,24)/CRV:13.3,14.3,15.3,16.3,17.1,18.1,19.1,20.1/rA:46OOOOO1O1O1O1CCCCCCCCC3C3C3C3CCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s9;s10;s10;s11s13;s12s14;s1s5s11;s2s6s12;s3s7s13;s4s8s14;s1;s2;s3;s4;s9;s10;s11;s12;s13;s14;s15;s15;s16;s16;s21;s21;s21;s22;s22;s22;s23;s23;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.321603 0.000000 6.752315 7.653882 0.000000 8.364366 6.752476 4.322515 0.000000 2.327348 3.408663 6.947176 7.773625 0.000000 5.849780 2.332472 7.580198 5.883845 4.187131 0.000000 5.884099 7.579768 2.332476 5.849854 5.872847 7.468019 0.000000 7.773572 6.947247 3.409107 2.327345 6.944453 5.873093 4.186714 0.000000 3.781193 3.224617 4.655744 4.858065 2.936959 3.324392 4.402396 4.290830 0.000000 4.858096 4.655472 3.225042 3.781208 4.290806 4.402355 3.324411 2.936861 1.570123 0.000000 2.394681 3.556273 4.818899 5.988336 2.484091 4.456719 4.352274 5.434326 1.549236 2.498793 0.000000 4.634444 2.393231 5.482053 4.474022 3.813511 2.475068 5.733999 4.623953 1.569586 2.498101 2.654239 0.000000 4.474050 5.481734 2.393237 4.634604 4.623791 5.733964 2.475064 3.813239 2.498086 1.569589 2.427170 3.587742 0.000000 5.988290 4.818942 3.556789 2.394697 5.434422 4.352240 4.456708 2.484095 2.498795 1.549233 3.604602 2.427202 2.654254 0.000000 3.069729 5.098335 3.735132 6.023054 3.497652 5.722467 2.973287 5.115356 2.454226 2.454324 1.561894 3.807626 1.546459 3.804465 0.000000 6.022937 3.735272 5.098844 3.069608 5.115602 2.973285 5.722509 3.497932 2.454337 2.454250 3.804452 1.546460 3.807630 1.561899 4.548342 0.000000 1.397766 3.482955 6.179128 7.359964 1.252364 4.623016 5.299210 6.673749 2.570785 3.808365 1.520150 3.537982 3.808171 4.966768 2.568490 4.886047 0.000000 4.891325 1.398395 6.921955 5.633768 3.613346 1.251464 6.913505 5.743361 2.545290 3.790965 3.472325 1.517529 4.929689 3.810101 4.849308 2.567010 3.760264 0.000000 5.633891 6.921615 1.398393 4.891468 5.743155 6.913480 1.251464 3.612941 3.790975 2.545301 3.810091 4.929697 1.517524 3.472316 2.567010 4.849323 5.027940 6.254723 0.000000 7.359950 6.179150 3.483792 1.397763 6.673758 5.299097 4.622995 1.252366 3.808338 2.570767 4.966760 3.808183 3.538025 1.520157 4.886053 2.568498 6.301309 5.027898 3.760287 0.000000 1.483405 5.005473 8.136245 9.737278 2.733216 6.567776 7.042363 9.058857 5.003762 6.183283 3.771072 5.799785 5.877687 7.347357 4.414139 7.243942 2.439638 5.748559 6.949813 8.703662 0.000000 5.011492 1.484193 9.036639 8.032474 3.844190 2.744237 8.769133 8.148622 4.466658 5.954109 4.747923 3.764815 6.821143 6.177033 6.287096 4.982292 4.274504 2.439970 8.222788 7.458380 5.295927 0.000000 8.032356 9.036753 1.484193 5.012591 8.148634 8.769802 2.744249 3.844954 5.954509 4.467179 6.177050 6.821605 3.764838 4.748546 4.982159 6.287797 7.458441 8.223308 2.439962 4.275535 9.357148 10.388530 0.000000 9.737264 8.136477 5.006288 1.483406 9.058893 7.042238 6.567706 2.733205 6.183263 5.003743 7.347367 5.877725 5.799840 3.771087 7.243967 4.414149 8.703668 6.949788 5.748563 2.439632 11.100863 9.357351 5.297025 0.000000 3.981115 3.359042 5.299015 5.430654 2.491947 3.017361 4.647195 4.543490 1.105046 2.208511 2.174125 2.196921 3.240056 3.218441 2.984345 2.964438 2.609119 2.586228 4.300336 4.291433 4.971611 4.319500 6.460622 6.640510 0.000000 5.430749 5.298656 3.359650 3.981066 4.543403 4.647156 3.017375 2.491885 2.208520 1.105045 3.218438 3.240087 2.196907 2.174127 2.964380 2.984421 4.291486 4.300329 2.586243 2.609071 6.640574 6.460077 4.320292 4.971537 2.328892 0.000000 2.527636 3.452806 5.047217 6.047397 3.217268 4.765656 4.997236 5.891074 2.199538 3.026753 1.107506 2.719541 2.786976 3.765820 2.176727 3.927005 2.129394 3.612330 4.260157 5.224897 3.961363 4.745903 6.489176 7.474472 3.049725 3.956161 0.000000 4.485068 2.444896 5.579324 4.748102 4.204149 3.285202 6.070290 5.230291 2.196473 3.001978 2.702774 1.106406 3.697262 2.800010 3.887712 2.193303 3.663932 2.141539 5.140425 4.269604 5.716049 3.922391 7.002981 6.217385 3.055555 3.950504 2.307797 0.000000 4.747961 5.579107 2.444731 4.485362 5.230131 6.070232 3.285203 4.203922 3.001919 2.196474 2.799898 3.697221 1.106406 2.702813 2.193290 3.887683 4.269485 5.140384 2.141544 3.664059 6.217209 7.002675 3.922227 5.716228 3.950441 3.055559 2.710639 3.499204 0.000000 6.047357 5.047491 3.452996 2.527755 5.891246 4.997305 4.765568 3.217098 3.026809 2.199536 3.765867 2.787094 2.719533 1.107510 3.927053 2.176750 5.224941 4.260277 3.612235 2.129396 7.474477 6.489429 4.746123 3.961397 3.956211 3.049705 3.619171 2.710865 2.307817 0.000000 2.956093 5.714986 4.051480 6.781714 4.064856 6.636146 3.371849 5.999947 3.431206 3.441984 2.227898 4.638183 2.226109 4.652792 1.102556 5.449811 2.975011 5.669382 3.011765 5.733598 4.268458 6.884938 5.254756 8.002393 4.012420 4.005603 2.450133 4.503916 2.494497 4.565341 0.000000 3.351577 5.580276 4.057441 6.502297 3.373284 5.946166 2.627767 5.219788 2.845125 2.823956 2.213515 4.374377 2.179051 4.339275 1.105558 5.048859 2.746651 5.247116 2.700013 5.236868 4.462426 6.623016 5.084953 7.613707 2.978993 2.925108 3.093699 4.672975 3.089423 4.678937 1.787671 0.000000 6.502280 4.057440 5.580972 3.351296 5.220076 2.627687 5.946299 3.373714 2.824012 2.845198 4.339318 2.179041 4.374439 2.213516 5.048907 1.105558 5.236937 2.699954 5.247212 2.746610 7.613778 5.084912 6.623984 4.462325 2.925223 2.979140 4.678940 3.089413 4.672999 3.093705 6.050511 5.336334 0.000000 6.781510 4.051877 5.715427 2.956004 6.000234 3.371918 6.636153 4.065179 3.441983 3.431213 4.652746 2.226113 4.638153 2.227901 5.449787 1.102555 5.733552 3.011807 5.669357 2.975061 8.002307 5.255226 6.885574 4.268545 4.005662 4.012489 4.565250 2.494489 4.503846 2.450128 6.262826 6.050448 1.787664 0.000000 2.131717 4.498626 8.788679 9.934567 2.739808 6.165527 7.803860 9.391937 5.178676 6.531074 4.142532 5.729272 6.448302 7.567265 5.083174 7.234322 2.745450 5.409721 7.634647 8.965142 1.103127 4.532303 10.063492 11.323708 5.082189 7.011656 4.263376 5.651239 6.755516 7.722040 5.076081 5.184721 7.562474 7.919706 0.000000 2.133719 5.564787 8.245648 10.015925 2.698104 6.812423 6.866625 9.090621 5.226480 6.330835 4.113812 6.210626 6.055019 7.626005 4.548716 7.574021 2.720625 6.135900 6.964568 8.882402 1.102790 5.782778 9.360325 11.314070 5.000060 6.612030 4.557036 6.299188 6.564386 7.879537 4.488522 4.323339 7.816115 8.427632 1.797328 0.000000 2.059081 5.815001 8.550139 10.408358 3.797972 7.534960 7.520635 9.799551 5.821814 6.900372 4.451408 6.591143 6.393634 8.040695 4.923247 8.033834 3.317560 6.638485 7.417771 9.412814 1.098828 6.134734 9.759603 11.786292 5.914554 7.422972 4.459528 6.367000 6.615875 8.047521 4.536011 5.055097 8.494994 8.745226 1.816390 1.817205 0.000000 4.973180 2.061547 9.581672 8.774194 4.245787 3.799824 9.342158 8.986935 5.125198 6.631788 5.120050 4.453422 7.317698 6.877030 6.669894 5.766182 4.531140 3.316509 8.769726 8.238121 5.108119 1.099035 10.980651 10.147668 5.100216 7.235212 4.945503 4.368371 7.400458 7.051019 7.115692 7.080409 6.006798 5.973769 4.237424 5.735990 5.808061 0.000000 6.075763 2.135416 9.568322 8.061691 4.784597 2.602091 9.426661 8.332080 5.060393 6.441991 5.582839 4.130519 7.469200 6.453841 7.103694 5.088420 5.258511 2.682265 8.842019 7.617236 6.392183 1.102570 10.891023 9.313161 4.885847 6.898069 5.578885 4.359265 7.631150 6.804744 7.772039 7.439375 5.073750 5.200631 5.620939 6.844932 7.237101 1.818363 0.000000 4.810107 2.121976 9.106088 8.378698 3.274965 2.860480 8.561800 8.190936 4.455051 5.977465 4.715858 4.093134 6.847615 6.421437 6.176760 5.314023 3.996041 2.777110 8.165604 7.651700 4.916976 1.102795 10.398862 9.663024 4.059654 6.332026 4.942554 4.449946 7.191479 6.867457 6.815498 6.332384 5.262380 5.768363 4.148138 5.217574 5.854954 1.816044 1.802033 0.000000 8.773915 9.581863 2.061544 4.974623 8.986927 9.342893 3.799848 4.246802 6.632182 5.125742 6.876980 7.318182 4.453426 5.120772 5.765997 6.670680 8.238090 8.770276 3.316514 4.532414 10.147309 10.980768 1.099035 5.109681 7.235765 5.101045 7.050670 7.400758 4.368167 4.945783 5.973221 6.006797 7.081483 7.116429 10.832177 10.230949 10.507646 11.549028 11.439063 11.082046 0.000000 8.061434 9.568183 2.135415 6.076798 8.331846 9.427151 2.602199 4.785220 6.442252 5.060810 6.453726 7.469519 4.130512 5.583366 5.088186 7.104264 7.617131 8.842368 2.682359 5.259422 9.312767 10.890719 1.102571 6.393241 6.898450 4.886512 6.804373 7.631327 4.359108 5.579078 5.200039 5.073698 7.440198 7.772558 10.109452 9.249896 9.640745 11.438612 11.473305 10.835765 1.818360 0.000000 8.378910 9.106465 2.121982 4.810989 8.191276 8.562745 2.860391 3.275763 5.978085 4.455683 6.421695 6.848288 4.093216 4.716516 5.314057 6.177617 7.652073 8.166385 2.776989 3.996989 9.663190 10.399142 1.102794 4.917792 6.332837 4.060593 6.867443 7.191978 4.449828 4.942757 5.768070 5.262579 6.333549 6.816271 10.321672 9.585187 10.166710 11.082213 10.836352 10.348600 1.816047 1.802030 0.000000 9.934522 8.788792 4.499355 2.131720 9.391935 7.803774 6.165481 2.739759 6.531043 5.178649 7.567223 6.448288 5.729268 4.142483 7.234305 5.083150 8.965128 7.634607 5.409702 2.745463 11.323672 10.063573 4.533378 1.103127 7.011636 5.082183 7.721916 6.755576 5.651298 4.263221 7.919711 7.562425 5.184696 5.076065 11.647162 11.497099 11.960569 10.832375 10.109741 10.321405 4.239002 5.622024 4.148871 0.000000 10.015908 8.245974 5.565506 2.133717 9.090650 6.866662 6.812139 2.698124 6.330832 5.226421 7.626001 6.055178 6.210578 4.113879 7.573938 4.548913 8.882404 6.964689 6.135731 2.720596 11.314071 9.360612 5.783803 1.102790 6.611970 4.999898 7.879554 6.564682 6.299287 4.557135 8.427592 7.815895 4.323424 4.488899 11.497136 11.449293 12.074134 10.231377 9.250418 9.585069 5.737488 6.845869 5.218392 1.797328 0.000000 10.408363 8.550433 5.815877 2.059083 9.799615 7.520387 7.534990 3.797963 6.900347 5.821821 8.040749 6.393635 6.591292 4.451430 8.033950 4.923169 9.412833 7.417672 6.638600 3.317554 11.786313 9.759893 6.135856 1.098828 7.422874 5.914485 8.047583 6.616056 6.367302 4.459636 8.745441 8.494996 5.054837 4.535988 11.960629 12.074154 12.445431 10.508145 9.641197 10.166628 5.809658 7.238231 5.855738 1.816390 1.817205 0.000000 C16H22O8 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 0 320.1663999999998 AuxInfo=1/0/N:21,23,22,24,15,16,11,13,12,14,9,10,17,19,18,20,5,7,6,8,1,3,2,4/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12)(13,14,15,16)(17,18,19,20)(21,22,23,24)/CRV:13.3,14.3,15.3,16.3,17.1,18.1,19.1,20.1/rA:46OOOOO1O1O1O1CCCCCCCCC3C3C3C3CCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s9;s10;s10;s11s13;s12s14;s1s5s11;s2s6s12;s3s7s13;s4s8s14;s1;s2;s3;s4;s9;s10;s11;s12;s13;s14;s15;s15;s16;s16;s21;s21;s21;s22;s22;s22;s23;s23;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3111823 0.1617132 0.1132296 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= 17766 NPrTT= 90670 LenC2= 15151 LenP2D= 46874. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 284 RedAO= T EigKep= 7.62D-04 NBF= 284 NBsUse= 284 1.00D-06 EigRej= -1.00D+00 NBFU= 284 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= 272 272 272 272 272 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -1222.70282212629 -1222.82921705498 -0.126394928688 -1222.93606012179 -0.106843066813 -1222.14408048917 0.791979632616 -1223.16716900524 -1.023088516060 -1223.21747602106 -0.050307015829 -1223.22006952241 -0.002593501343 -1223.22017867662 -0.000109154209 -1223.22021237708 -0.000033700461 -1223.22022125049 -0.000008873417 -1223.22014028945 0.000080961047 -1223.22014076485 -0.000000475401 -1223.22014055431 0.000000210537 -1223.22014091808 -0.000000363772 -1223.22014094272 -0.000000024632 -1223.22014094328 -0.000000000560 -1223.22014094333 -0.000000000051 -1223.22014094336 -0.000000000031 -1223.22014094 18 1.217658820779e+03 -7.320375679750e+03 2.651359199098e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=830769595. IVT= 264490 IEndB= 264490 NGot= 939524096 MDV= 120328922 LenX= 120328922 LenY= 120247825 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= 40470 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= 939523348 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=830518669. 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= 40470 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= 1.76D-14 1.00D-09 XBig12= 2.15D+02 3.83D+00. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 1.76D-14 1.00D-09 XBig12= 1.78D+02 2.44D+00. 138 vectors produced by pass 2 Test12= 1.76D-14 1.00D-09 XBig12= 5.74D-01 7.33D-02. 138 vectors produced by pass 3 Test12= 1.76D-14 1.00D-09 XBig12= 2.53D-04 9.88D-04. 87 vectors produced by pass 4 Test12= 1.76D-14 1.00D-09 XBig12= 2.75D-08 1.23D-05. 5 vectors produced by pass 5 Test12= 1.76D-14 1.00D-09 XBig12= 3.42D-12 1.03D-07. 1 vectors produced by pass 6 Test12= 1.76D-14 1.00D-09 XBig12= 1.25D-15 2.62D-09. InvSVY: IOpt=1 It= 1 EMax= 2.84D-14 Solved reduced A of dimension 645 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 192.94 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 246.429 -4.186 187.725 -0.003 0.000 144.676 327.695 -7.727 298.136 -0.004 -0.001 323.519 (Enter /mnt/data/applications/G09/g09/l716.exe) PT5520.400S 2018-01-29T22:26:30.000+01:00 -18.81104 -18.81104 -18.80672 -18.80672 -18.76499 -18.76499 -18.75951 -18.75951 -10.03099 -10.03098 -10.02619 -10.02618 -9.95366 -9.95366 -9.94677 -9.94677 -9.92705 -9.92704 -9.92546 -9.92545 -9.91740 -9.91734 -9.91006 -9.91005 -1.01148 -1.01143 -1.00591 -1.00591 -0.93364 -0.93359 -0.92901 -0.92899 -0.80675 -0.75092 -0.71965 -0.69249 -0.67035 -0.66277 -0.64888 -0.63850 -0.62599 -0.56823 -0.56070 -0.53286 -0.51318 -0.50398 -0.50068 -0.48426 -0.48098 -0.46090 -0.45481 -0.44959 -0.43041 -0.42528 -0.42285 -0.41769 -0.41470 -0.41440 -0.40964 -0.40773 -0.40599 -0.39441 -0.38447 -0.38396 -0.37920 -0.37690 -0.36382 -0.36052 -0.35956 -0.35087 -0.34942 -0.32840 -0.32706 -0.32042 -0.31389 -0.30620 -0.30285 -0.30223 -0.30203 -0.30056 -0.29179 -0.28971 -0.28374 -0.26175 -0.26139 -0.25582 -0.25562 -0.23382 -0.23114 -0.22744 -0.22395 -0.05447 -0.05120 -0.04591 -0.04159 0.03451 0.03590 0.04276 0.04510 0.06703 0.07118 0.07627 0.08039 0.08743 0.09698 0.09906 0.10131 0.11502 0.12810 0.13009 0.13025 0.14650 0.15023 0.15399 0.15475 0.15800 0.16039 0.16190 0.16780 0.17318 0.17336 0.17800 0.17873 0.18333 0.18371 0.18947 0.19111 0.19467 0.19619 0.20374 0.21207 0.21565 0.22123 0.23251 0.23397 0.23516 0.24093 0.24282 0.24452 0.25203 0.25703 0.26730 0.26898 0.27274 0.27938 0.28330 0.29196 0.29521 0.29801 0.30333 0.30452 0.31042 0.32501 0.32973 0.32978 0.33763 0.34387 0.34985 0.35666 0.37562 0.38332 0.39267 0.39276 0.41875 0.42226 0.42692 0.43153 0.43614 0.44586 0.46237 0.46334 0.47395 0.48018 0.48381 0.48504 0.49534 0.49774 0.50960 0.51112 0.51763 0.52572 0.52918 0.54499 0.56654 0.57768 0.59305 0.63331 0.65628 0.66384 0.67014 0.68426 0.68719 0.70267 0.71060 0.71665 0.73127 0.74316 0.74841 0.75038 0.76588 0.77402 0.79509 0.80724 0.81555 0.83366 0.83802 0.84404 0.84627 0.85406 0.85683 0.86275 0.88106 0.88797 0.89837 0.89861 0.90120 0.90963 0.93190 0.96216 0.99385 0.99682 1.02263 1.02608 1.03004 1.04224 1.04550 1.05826 1.05854 1.06228 1.06517 1.07016 1.07594 1.07801 1.09400 1.10082 1.10830 1.11188 1.11361 1.14904 1.16249 1.16366 1.19379 1.22055 1.24079 1.30394 1.33064 1.36015 1.39249 1.50441 1.52574 1.53930 1.64049 1.67159 1.68012 1.69118 1.69624 1.75448 1.75732 1.76963 1.77362 22.36517 22.40933 22.49004 22.49263 22.50386 22.50747 22.50967 22.51539 22.55373 22.61789 22.62788 22.63813 22.68662 22.70176 22.72877 22.74060 41.49906 41.50290 41.51200 41.52481 41.54785 41.55578 41.56357 41.56583 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 O O O O O C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H -0.267399 -0.272625 -0.272627 -0.267393 -0.237919 -0.230544 -0.230545 -0.237902 -0.217690 -0.217684 -0.195945 -0.182141 -0.182129 -0.195970 -0.559375 -0.559352 0.188884 0.182927 0.182941 0.188860 -0.503921 -0.506523 -0.506528 -0.503919 0.320607 0.320615 0.269617 0.263706 0.263715 0.269626 0.248372 0.257406 0.257397 0.248368 0.238972 0.243486 0.234649 0.227610 0.244589 0.253239 0.227615 0.244586 0.253229 0.238977 0.243487 0.234649 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 O O O O O O O O C C C C C C C C C C C C C C C C -0.267399 -0.272625 -0.272627 -0.267393 -0.237919 -0.230544 -0.230545 -0.237902 0.102917 0.102931 0.073672 0.081565 0.081586 0.073656 -0.053598 -0.053587 0.188884 0.182927 0.182941 0.188860 0.213187 0.218916 0.218902 0.213194 0.00000 2.37747853e-05 1.74775201e-04 -1.72552187e+00 2.46429289e+02 -4.18563233e+00 1.87725345e+02 -2.61579993e-03 -4.65717417e-04 1.44676317e+02 -11.0598 -10.2755 -0.0005 -0.0002 0.0006 5.7972 11.7537 20.0546 21.8979 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 11.2480 19.5664 21.7747 36.0586 37.9592 46.0234 50.9708 58.9251 68.5566 80.5041 82.5622 92.8097 93.0437 107.3821 116.6943 142.5805 152.8475 168.4387 194.9005 210.4846 213.8816 214.9085 232.5215 234.6141 270.0503 271.9180 293.6669 306.8294 326.5968 333.3946 414.0196 417.2167 426.7616 496.3961 532.5262 559.6677 584.8295 651.3081 669.6686 686.3152 692.5924 696.6940 720.9969 724.9467 742.9940 810.3197 830.5147 863.0086 867.1377 872.3430 920.6492 930.7018 932.8483 967.2184 976.1185 981.1580 993.1072 998.1352 1031.9409 1061.4906 1070.0012 1088.6744 1096.3672 1106.8332 1112.2379 1113.5392 1113.5492 1115.5761 1125.8219 1128.4857 1135.8638 1136.9444 1148.8003 1149.0018 1150.7108 1150.8406 1160.6930 1190.0185 1226.7359 1231.0396 1247.0212 1254.4435 1255.4877 1275.7203 1280.6676 1287.0124 1305.7528 1308.2806 1343.8034 1350.2896 1362.6224 1363.4900 1419.7468 1419.8154 1422.3843 1422.4496 1452.2866 1452.2976 1452.8871 1452.8917 1463.2618 1463.2925 1464.8986 1464.9194 1477.2146 1479.1942 1638.3216 1638.7842 1645.2073 1646.6352 2996.7861 2998.2625 3004.3400 3004.4162 3005.6975 3005.9006 3006.6930 3010.4001 3017.6500 3018.6525 3022.1886 3037.1686 3091.7340 3091.8978 3106.1700 3106.1846 3111.3955 3111.4028 3147.5366 3147.5493 3149.4858 3149.4998 5.3446 5.2570 5.7625 4.0353 3.9233 3.9266 3.5507 4.3748 3.3150 1.2273 1.4151 1.1360 1.1593 3.5254 3.6712 4.1959 4.0556 4.1025 3.9376 4.4298 4.5868 5.2545 3.4326 4.1567 4.1642 5.3524 4.4887 5.1034 4.4346 4.7723 4.8259 3.9170 4.4154 3.9959 3.6111 3.9823 4.0057 5.4513 6.2561 5.0111 4.5926 5.6472 6.5772 5.9461 5.8917 2.3963 5.7171 6.2480 7.4694 6.1017 2.4543 4.8756 2.5061 2.5711 2.3228 4.2259 3.8920 2.6340 4.3708 3.3617 3.6874 2.9163 3.1549 1.5023 1.4038 1.2681 1.2860 1.3963 2.5713 2.4859 2.9549 3.3941 1.4573 1.4472 1.4514 1.4593 2.5891 1.5928 1.4093 1.4801 1.4486 1.3246 1.3328 1.2440 1.2443 1.2928 1.2249 1.3380 1.6963 1.7322 1.6381 1.5861 1.1951 1.1944 1.1909 1.1925 1.0506 1.0506 1.0507 1.0507 1.0506 1.0504 1.0508 1.0508 1.0875 1.0936 9.6264 9.6949 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