Gaussian 09 GINC-KIMIK2078 CBGUSER 000264865 EM64L-G09RevD.01 5-Mar-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 376.2344999999997 0 1 AuxInfo=1/0/N:9,10,11,20,22,21,23,24,26,25,27,16,17,18,19,12,13,28,29,14,15,7,8,1,2,3,5,4,6/E:(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)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.1,25.1,26.1,27.1,28.1,29.1/rA:45O1O1O1O1O1O1NNCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;s3s5;s4s6;;s9;s9;s10;s11;s1s12;s2s13s14;s12;s13;s16;s17;s18;s19;s18;s19;s20;s21;s22;s23;s7s24s26;s8s25s27;s9;s9;s10;s10;s11;s11;s16;s17;s20;s21;s22;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-14411.inp" -scrdir="/scratch/" chk=000264865.chk nprocshared=4 mem=3GB #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 000264865 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 16 16 16 16 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 0 0 0 0 2 2 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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 2 3 4 5 6 7 8 9 9 9 9 10 10 10 11 11 11 12 12 13 13 14 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 26 27 27 14 15 7 8 7 8 28 29 10 11 30 31 12 32 33 13 34 35 14 16 15 17 15 18 36 19 37 20 22 21 23 24 38 25 39 26 40 27 41 28 42 29 43 28 44 29 45 1.2051 1.2051 1.22 1.22 1.22 1.22 1.4794 1.4794 1.5374 1.5374 1.1099 1.1099 1.4996 1.1124 1.1131 1.4996 1.1124 1.1131 1.4981 1.341 1.4981 1.341 1.5488 1.4734 1.1022 1.4734 1.1022 1.4055 1.4056 1.4055 1.4056 1.3937 1.0911 1.3937 1.0911 1.3936 1.0911 1.3936 1.0911 1.4038 1.0964 1.4038 1.0964 1.404 1.0964 1.404 1.0964 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 5 4 4 6 10 10 10 11 11 30 9 9 9 12 12 32 9 9 9 13 13 34 10 10 14 11 11 15 1 1 12 2 2 13 12 12 18 13 13 19 16 16 20 17 17 21 18 18 24 19 19 25 18 18 26 19 19 27 20 20 28 21 21 29 22 22 28 23 23 29 7 7 24 8 8 25 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 5 28 28 6 29 29 11 30 31 30 31 31 12 32 33 32 33 33 13 34 35 34 35 35 14 16 16 15 17 17 12 15 15 13 14 14 18 36 36 19 37 37 20 22 22 21 23 23 24 38 38 25 39 39 26 40 40 27 41 41 28 42 42 29 43 43 28 44 44 29 45 45 24 26 26 25 27 27 124.9331 117.5307 117.536 124.933 117.5307 117.5361 115.8634 109.1373 108.2347 108.2343 109.1374 105.7704 113.6226 108.4363 109.9712 110.556 109.4228 104.4294 113.622 108.4357 109.9714 110.5563 109.423 104.4299 115.7875 125.4597 118.7528 115.7867 125.4611 118.7522 124.6298 121.1912 114.1641 124.6298 121.1912 114.1643 125.2415 120.5436 114.2144 125.243 120.5425 114.2141 120.2141 119.4702 120.3018 120.2153 119.4694 120.3015 120.0259 119.9832 119.9889 120.0261 119.9831 119.9888 120.0139 120.0217 119.9644 120.0141 120.0217 119.9642 119.2096 121.0099 119.7804 119.2096 121.0099 119.7805 119.2207 121.0083 119.7709 119.2207 121.0084 119.7709 119.3887 119.3848 121.2265 119.3886 119.3849 121.2264 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 5 5 4 4 6 6 11 11 11 30 30 30 31 31 31 10 10 10 30 30 30 31 31 31 9 9 32 32 33 33 9 9 34 34 35 35 10 10 16 16 10 10 14 14 11 11 17 17 11 11 15 15 1 1 12 12 12 12 36 36 13 13 37 37 16 16 22 22 16 16 20 20 17 17 23 23 17 17 21 21 18 18 38 38 19 19 39 39 18 18 40 40 19 19 41 41 20 20 42 42 21 21 43 43 22 22 44 44 23 23 45 45 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 29 29 29 29 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 16 16 16 16 15 15 15 15 17 17 17 17 15 15 15 15 18 18 18 18 19 19 19 19 20 20 20 20 22 22 22 22 21 21 21 21 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 29 29 29 29 28 28 28 28 29 29 29 29 24 26 24 26 25 27 25 27 12 32 33 12 32 33 12 32 33 13 34 35 13 34 35 13 34 35 14 16 14 16 14 16 15 17 15 17 15 17 1 15 1 15 18 36 18 36 2 14 2 14 19 37 19 37 2 13 2 13 20 22 20 22 21 23 21 23 24 38 24 38 26 40 26 40 25 39 25 39 27 41 27 41 28 42 28 42 29 43 29 43 28 44 28 44 29 45 29 45 7 26 7 26 8 27 8 27 7 24 7 24 8 25 8 25 0.1431 -179.9469 179.9952 -0.0947 0.1452 -179.9449 179.9968 -0.0933 -45.2562 -168.6072 77.776 77.176 -46.175 -159.7918 -168.165 68.484 -45.1328 -45.2731 -168.6237 77.7591 -168.1816 68.4679 -45.1494 77.1596 -46.191 -159.8082 63.6933 -116.2553 -174.1217 5.9297 -59.639 120.4123 63.6839 -116.2637 -174.1321 5.9203 -59.6486 120.4039 -160.6742 17.9337 19.2781 -162.114 -0.2265 179.5106 179.8263 -0.4367 -160.6551 17.9554 19.2962 -162.0933 -0.2292 179.5062 179.8246 -0.44 -78.9952 102.3413 102.3438 -76.3197 -73.993 107.3556 106.2554 -72.3961 -73.9532 107.3957 106.2967 -72.3544 -178.7529 0.7384 -0.1127 179.3786 178.9831 -1.0359 0.3329 -179.6861 -178.753 0.7373 -0.1132 179.3771 178.9837 -1.036 0.3338 -179.6859 -0.2434 179.7641 -179.7347 0.2728 -0.2436 179.7639 -179.7338 0.2736 -0.1901 179.8938 179.8288 -0.0872 -0.1908 179.8933 179.8288 -0.0871 -179.7026 0.3891 0.29 -179.6183 -179.7023 0.3895 0.2903 -179.6179 179.9203 -0.1714 -0.1626 179.7457 179.9204 -0.1714 -0.1627 179.7456 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 249 270 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 45 45 45 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= 21321 NPrTT= 111342 LenC2= 15658 LenP2D= 48435. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 322 RedAO= T EigKep= 6.29D-04 NBF= 322 NBsUse= 322 1.00D-06 EigRej= -1.00D+00 NBFU= 322 Using GEDIIS/GDIIS optimizer. local minimum Step number 16 out of a maximum of 249 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00187 0.00368 0.00478 0.00642 0.00648 0.00879 0.01039 0.01220 0.01473 0.01500 0.01625 0.01643 0.01766 0.01838 0.01985 0.01996 0.02035 0.02051 0.02063 0.02064 0.02085 0.02094 0.02102 0.02111 0.02121 0.02122 0.02125 0.02130 0.02149 0.02379 0.02478 0.02920 0.03015 0.03335 0.03589 0.04286 0.04825 0.05638 0.05689 0.07408 0.08230 0.08834 0.09268 0.09362 0.09384 0.09865 0.11320 0.12786 0.15510 0.15984 0.15991 0.15999 0.15999 0.15999 0.16000 0.16000 0.16012 0.16038 0.16683 0.20243 0.21538 0.21754 0.21998 0.22578 0.22735 0.22895 0.23108 0.23401 0.24014 0.24085 0.24183 0.24528 0.24969 0.24982 0.24996 0.25000 0.25015 0.25067 0.25566 0.25937 0.26693 0.27426 0.27715 0.28241 0.29576 0.30868 0.31857 0.32082 0.32257 0.32269 0.32438 0.32609 0.32614 0.32648 0.33036 0.33392 0.33468 0.33563 0.34081 0.34082 0.34083 0.34102 0.34653 0.34685 0.34698 0.34726 0.34756 0.35536 0.38137 0.41288 0.41315 0.41768 0.42011 0.44848 0.44858 0.44936 0.45156 0.45609 0.45651 0.46695 0.47174 0.57252 0.58053 0.71969 0.95375 0.95376 0.95395 1.01142 1.02372 RFO step: Lambda=-1.18962243D-07. 1 2 3 0.00323245 0.00000307 0.00000000 0.00000115 0.00000044 0.00000044 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 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 2.38932 2.38932 2.44101 2.44101 2.44047 2.44046 2.80314 2.80313 2.95084 2.95084 2.09076 2.09076 2.86839 2.08010 2.09531 2.86836 2.08014 2.09531 2.84287 2.60043 2.84289 2.60040 2.93224 2.78023 2.08289 2.78019 2.08290 2.69836 2.69900 2.69834 2.69900 2.65627 2.06590 2.65627 2.06593 2.65442 2.07048 2.65442 2.07048 2.66875 2.06565 2.66875 2.06565 2.66921 2.06536 2.66922 2.06536 2.16745 2.05785 2.05789 2.16745 2.05785 2.05788 2.02688 1.90069 1.87997 1.87995 1.90069 1.86998 1.96680 1.87481 1.90448 1.94808 1.90832 1.85767 1.96683 1.87486 1.90449 1.94799 1.90833 1.85767 2.01786 2.23949 2.02478 2.01794 2.23936 2.02485 2.16954 2.06957 2.04320 2.16955 2.06957 2.04318 2.27673 1.99592 2.01032 2.27656 1.99602 2.01040 2.16221 2.05639 2.06342 2.16210 2.05647 2.06346 2.11202 2.09302 2.07646 2.11201 2.09300 2.07651 2.11968 2.07832 2.08511 2.11966 2.07833 2.08512 2.07528 2.12523 2.08262 2.07528 2.12523 2.08262 2.06811 2.12893 2.08611 2.06811 2.12893 2.08611 2.07727 2.07887 2.12689 2.07727 2.07887 2.12690 0.01925 -3.14065 -3.12389 -0.00061 0.01912 -3.14071 -3.12419 -0.00085 -0.79551 -2.94827 1.32778 1.32939 -0.82337 -2.83050 -2.93139 1.19904 -0.80809 -0.79550 -2.94819 1.32783 -2.93136 1.19913 -0.80803 1.32943 -0.82326 -2.83042 1.16808 -1.92188 -3.00366 0.18956 -0.95303 2.24019 1.16779 -1.92247 -3.00393 0.18899 -0.95336 2.23956 -2.98655 0.20075 0.10997 -2.98591 -0.10202 3.01600 3.09137 -0.07379 -2.98651 0.20110 0.11027 -2.98531 -0.10185 3.01646 3.09124 -0.07363 -1.10779 1.99052 1.99080 -1.19407 -0.59722 2.59716 2.56810 -0.52070 -0.59624 2.59799 2.56879 -0.52016 -3.12064 -0.04193 -0.03204 3.04667 3.13826 -0.01617 0.04641 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-0.00012 0.00002 -0.00006 -0.00003 0.00011 -0.00008 0.00006 0.00012 -0.00024 -0.00028 -0.00065 -0.00014 -0.00010 0.00024 0.00028 -0.00002 -0.00005 0.00006 0.00003 0.00008 -0.00007 0.00045 0.00029 0.00014 0.00009 0.00000 -0.00005 0.00001 0.00000 -0.00004 -0.00004 0.00005 0.00008 0.00008 0.00011 0.00001 0.00017 0.00016 0.00032 -0.00011 -0.00014 -0.00006 -0.00009 -0.00005 -0.00022 -0.00005 -0.00021 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00002 -0.00013 -0.00012 -0.00003 0.00000 0.00002 0.00002 -0.00004 0.00007 0.00003 0.00004 0.00000 0.00003 -0.00012 -0.00004 -0.00012 0.00003 -0.00002 -0.00012 -0.00001 -0.00004 -0.00002 0.00004 -0.00002 0.00009 -0.00002 -0.00004 0.00002 -0.00004 -0.00002 -0.00002 0.00000 -0.00002 0.00000 0.00004 0.00001 0.00003 0.00001 0.00002 0.00001 0.00000 0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00002 0.00001 0.00068 -0.00016 -0.00017 -0.00015 -0.00014 -0.00012 0.00012 -0.00017 0.00015 -0.00011 0.00004 -0.00005 0.00018 -0.00030 0.00014 0.00001 0.00002 -0.00006 -0.00014 0.00000 0.00016 -0.00021 0.00025 -0.00004 0.00016 0.00005 -0.00021 0.00012 0.00004 -0.00017 -0.00026 0.00016 0.00012 0.00015 -0.00006 -0.00009 -0.00018 0.00017 0.00002 0.00004 0.00000 -0.00006 -0.00001 -0.00005 0.00006 0.00002 -0.00001 -0.00003 -0.00003 0.00002 0.00001 0.00002 -0.00001 -0.00001 0.00003 -0.00002 -0.00001 0.00004 -0.00002 -0.00002 0.00006 -0.00001 -0.00005 0.00005 0.00000 -0.00005 0.00004 0.00002 -0.00006 0.00005 0.00003 -0.00008 -0.00002 -0.00001 -0.00006 -0.00005 0.00008 -0.00004 0.00006 -0.00006 0.00035 0.00052 0.00059 0.00051 0.00068 0.00074 0.00020 0.00037 0.00044 0.00026 0.00035 0.00050 0.00011 0.00020 0.00036 0.00041 0.00050 0.00065 -0.00146 -0.00196 -0.00166 -0.00217 -0.00176 -0.00227 -0.00159 -0.00174 -0.00185 -0.00200 -0.00190 -0.00205 0.00157 0.00157 0.00201 0.00201 -0.00021 0.00028 -0.00071 -0.00022 0.00170 0.00181 0.00185 0.00195 -0.00070 -0.00067 -0.00085 -0.00082 -0.00222 -0.00232 -0.00222 -0.00231 0.00167 0.00155 0.00118 0.00105 -0.00031 0.00005 -0.00034 0.00002 -0.00003 -0.00006 0.00009 0.00007 -0.00003 0.00008 -0.00014 -0.00003 0.00014 -0.00018 -0.00022 -0.00054 -0.00015 -0.00014 0.00019 0.00019 -0.00003 -0.00004 -0.00001 -0.00001 0.00007 -0.00007 0.00039 0.00026 0.00013 0.00007 0.00002 -0.00004 -0.00002 -0.00003 -0.00002 -0.00003 0.00003 0.00002 0.00003 0.00002 -0.00001 0.00011 0.00012 0.00025 -0.00008 -0.00007 -0.00002 -0.00001 -0.00002 -0.00014 -0.00001 -0.00013 2.38930 2.38930 2.44100 2.44100 2.44045 2.44045 2.80301 2.80301 2.95081 2.95084 2.09078 2.09078 2.86835 2.08018 2.09533 2.86840 2.08014 2.09534 2.84276 2.60039 2.84277 2.60042 2.93223 2.78011 2.08288 2.78015 2.08288 2.69840 2.69898 2.69842 2.69898 2.65623 2.06593 2.65623 2.06590 2.65440 2.07048 2.65439 2.07048 2.66879 2.06565 2.66878 2.06565 2.66923 2.06537 2.66922 2.06537 2.16746 2.05783 2.05789 2.16746 2.05783 2.05789 2.02756 1.90053 1.87981 1.87980 1.90054 1.86986 1.96693 1.87464 1.90463 1.94797 1.90836 1.85762 1.96701 1.87456 1.90463 1.94799 1.90835 1.85761 2.01772 2.23949 2.02494 2.01774 2.23961 2.02481 2.16971 2.06962 2.04299 2.16968 2.06961 2.04301 2.27647 1.99608 2.01043 2.27671 1.99596 2.01031 2.16202 2.05656 2.06344 2.16214 2.05648 2.06340 2.11201 2.09297 2.07652 2.11203 2.09299 2.07648 2.11965 2.07834 2.08512 2.11968 2.07832 2.08511 2.07531 2.12521 2.08261 2.07532 2.12521 2.08260 2.06816 2.12892 2.08606 2.06816 2.12893 2.08606 2.07731 2.07889 2.12683 2.07731 2.07890 2.12682 0.01922 -3.14067 -3.12395 -0.00065 0.01920 -3.14076 -3.12413 -0.00090 -0.79517 -2.94775 1.32837 1.32990 -0.82269 -2.82975 -2.93119 1.19941 -0.80765 -0.79524 -2.94785 1.32833 -2.93125 1.19933 -0.80767 1.32984 -0.82277 -2.82977 1.16663 -1.92384 -3.00533 0.18739 -0.95479 2.23792 1.16620 -1.92422 -3.00578 0.18699 -0.95526 2.23751 -2.98499 0.20232 0.11197 -2.98390 -0.10223 3.01628 3.09066 -0.07401 -2.98480 0.20291 0.11212 -2.98336 -0.10255 3.01579 3.09039 -0.07445 -1.11001 1.98821 1.98859 -1.19639 -0.59556 2.59871 2.56927 -0.51964 -0.59655 2.59805 2.56845 -0.52014 -3.12067 -0.04198 -0.03195 3.04674 3.13823 -0.01609 0.04627 -3.10805 -3.12047 -0.04196 -0.03207 3.04644 3.13809 -0.01628 0.04643 -3.10793 -0.00329 3.12666 -3.08256 0.04739 -0.00326 3.12660 -3.08235 0.04750 -0.02451 3.12611 3.12986 -0.00271 -0.02461 3.12604 3.12980 -0.00273 -3.13405 0.02637 0.01890 -3.10387 -3.13409 0.02640 0.01895 -3.10375 -3.13536 -0.01260 -0.00256 3.12020 -3.13529 -0.01260 -0.00252 3.12017 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000089 0.000015 0.009937 0.003232 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -2.755534e-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 2 3 4 5 6 7 8 9 9 9 9 10 10 10 11 11 11 12 12 13 13 14 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 26 27 27 14 15 7 8 7 8 28 29 10 11 30 31 12 32 33 13 34 35 14 16 15 17 15 18 36 19 37 20 22 21 23 24 38 25 39 26 40 27 41 28 42 29 43 28 44 29 45 1.2644 1.2644 1.2917 1.2917 1.2914 1.2914 1.4834 1.4834 1.5615 1.5615 1.1064 1.1064 1.5179 1.1007 1.1088 1.5179 1.1008 1.1088 1.5044 1.3761 1.5044 1.3761 1.5517 1.4712 1.1022 1.4712 1.1022 1.4279 1.4282 1.4279 1.4282 1.4056 1.0932 1.4056 1.0932 1.4047 1.0956 1.4047 1.0956 1.4122 1.0931 1.4122 1.0931 1.4125 1.0929 1.4125 1.0929 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 3 5 4 4 6 10 10 10 11 11 30 9 9 9 12 12 32 9 9 9 13 13 34 10 10 14 11 11 15 1 1 12 2 2 13 12 12 18 13 13 19 16 16 20 17 17 21 18 18 24 19 19 25 18 18 26 19 19 27 20 20 28 21 21 29 22 22 28 23 23 29 7 7 24 8 8 25 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 5 28 28 6 29 29 11 30 31 30 31 31 12 32 33 32 33 33 13 34 35 34 35 35 14 16 16 15 17 17 12 15 15 13 14 14 18 36 36 19 37 37 20 22 22 21 23 23 24 38 38 25 39 39 26 40 40 27 41 41 28 42 42 29 43 43 28 44 44 29 45 45 24 26 26 25 27 27 124.1856 117.9062 117.9082 124.1858 117.9061 117.908 116.1314 108.9014 107.7146 107.7134 108.9014 107.1418 112.6895 107.4187 109.1187 111.6169 109.3389 106.4365 112.6911 107.4218 109.1191 111.6114 109.3392 106.4365 115.615 128.3133 116.0116 115.6196 128.3057 116.0153 124.3056 118.5776 117.0666 124.3061 118.5776 117.0654 130.4472 114.358 115.1826 130.4373 114.3635 115.1873 123.8854 117.8226 118.2254 123.879 117.8273 118.2275 121.01 119.9214 118.9724 121.0092 119.92 118.975 121.4487 119.0791 119.4682 121.4474 119.0797 119.4689 118.905 121.7666 119.3252 118.9048 121.7666 119.3253 118.4938 121.9787 119.5254 118.494 121.9786 119.5254 119.0189 119.1106 121.862 119.0185 119.1106 121.8623 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-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 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 3 3 5 5 4 4 6 6 11 11 11 30 30 30 31 31 31 10 10 10 30 30 30 31 31 31 9 9 32 32 33 33 9 9 34 34 35 35 10 10 16 16 10 10 14 14 11 11 17 17 11 11 15 15 1 1 12 12 12 12 36 36 13 13 37 37 16 16 22 22 16 16 20 20 17 17 23 23 17 17 21 21 18 18 38 38 19 19 39 39 18 18 40 40 19 19 41 41 20 20 42 42 21 21 43 43 22 22 44 44 23 23 45 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 28 28 28 28 29 29 29 29 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 16 16 16 16 15 15 15 15 17 17 17 17 15 15 15 15 18 18 18 18 19 19 19 19 20 20 20 20 22 22 22 22 21 21 21 21 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 29 29 29 29 28 28 28 28 29 29 29 24 26 24 26 25 27 25 27 12 32 33 12 32 33 12 32 33 13 34 35 13 34 35 13 34 35 14 16 14 16 14 16 15 17 15 17 15 17 1 15 1 15 18 36 18 36 2 14 2 14 19 37 19 37 2 13 2 13 20 22 20 22 21 23 21 23 24 38 24 38 26 40 26 40 25 39 25 39 27 41 27 41 28 42 28 42 29 43 29 43 28 44 28 44 29 45 29 45 7 26 7 26 8 27 8 27 7 24 7 24 8 25 8 1.1027 -179.9461 -178.986 -0.0347 1.0956 -179.9497 -179.0031 -0.0484 -45.5796 -168.9236 76.0764 76.1685 -47.1755 -162.1755 -167.9562 68.6998 -46.3002 -45.5788 -168.9191 76.079 -167.9544 68.7053 -46.2967 76.1709 -47.1694 -162.1713 66.9262 -110.1156 -172.0973 10.8609 -54.6049 128.3533 66.9095 -110.1497 -172.1128 10.8281 -54.6235 128.3174 -171.117 11.5023 6.3006 -171.0801 -5.8454 172.8039 177.1227 -4.228 -171.1143 11.5222 6.318 -171.0454 -5.8357 172.8304 177.115 -4.2189 -63.4717 114.0484 114.0646 -68.4153 -34.2185 148.8065 147.1413 -29.8338 -34.162 148.8539 147.1808 -29.8032 -178.7992 -2.4022 -1.8356 174.5614 179.8092 -0.9265 2.6591 -178.0766 -178.798 -2.3938 -1.8251 174.579 179.8075 -0.9242 2.6492 -178.0826 -0.1867 179.1463 -176.6173 2.7157 -0.1905 179.1447 -176.6281 2.7071 -1.4116 179.1085 179.327 -0.1529 -1.4087 179.1106 179.3258 -0.1549 -179.5693 1.5096 1.0812 -177.84 -179.5695 1.5058 1.0788 -177.8459 -179.6384 -0.7182 -0.1454 178.7748 -179.6377 -0.7139 -0.1439 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 376.2344999999997 AuxInfo=1/0/N:9,10,11,20,22,21,23,24,26,25,27,16,17,18,19,12,13,28,29,14,15,7,8,1,2,3,5,4,6/E:(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)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.1,25.1,26.1,27.1,28.1,29.1/rA:45O1O1O1O1O1O1NNCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;s3s5;s4s6;;s9;s9;s10;s11;s1s12;s2s13s14;s12;s13;s16;s17;s18;s19;s18;s19;s20;s21;s22;s23;s7s24s26;s8s25s27;s9;s9;s10;s10;s11;s11;s16;s17;s20;s21;s22;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.089245 0.000000 9.247057 10.042630 0.000000 10.042351 9.247103 15.550360 0.000000 9.162857 10.485546 2.163675 15.172715 0.000000 10.485604 9.162836 15.174234 2.163674 15.043244 0.000000 8.577751 9.666721 1.220026 14.893723 1.220003 14.664506 0.000000 9.666612 8.577764 14.894462 1.220026 14.663768 1.220003 14.311720 0.000000 4.125193 4.124944 7.955318 7.955291 7.876514 7.877183 7.342314 7.342632 0.000000 3.656841 3.591406 7.043833 9.337193 7.256016 9.154666 6.544071 8.666013 1.537354 0.000000 3.591584 3.656793 9.337062 7.043675 9.153813 7.256358 8.665526 6.544168 1.537354 2.605556 0.000000 2.397643 3.361013 7.205544 10.036574 7.294564 10.103881 6.612071 9.480796 2.541591 1.499556 3.002545 0.000000 3.360997 2.397643 10.036798 7.205463 10.103421 7.294697 9.480677 6.612097 2.541583 3.002667 1.499558 3.248876 0.000000 1.205140 2.405085 8.656599 9.570151 8.717408 9.797598 8.058713 9.075650 3.126911 2.539223 2.818341 1.498120 2.557880 0.000000 2.405085 1.205140 9.570342 8.656541 9.797391 8.717497 9.075642 8.058728 3.126798 2.818276 2.539214 2.557878 1.498120 1.548792 0.000000 2.856968 4.465567 6.392536 11.202611 6.389288 11.336083 5.734711 10.696361 3.593135 2.525863 4.170369 1.340968 4.551537 2.444437 3.775383 0.000000 4.465402 2.856998 11.203091 6.392541 11.335713 6.389286 10.696410 5.734711 3.593196 4.170623 2.525880 4.551592 1.340968 3.775332 2.444431 5.866561 0.000000 4.323876 5.697166 4.945204 11.986504 4.945164 12.004753 4.261431 11.448037 4.128739 3.061175 5.081968 2.499888 5.664759 3.848768 5.039076 1.473443 6.966773 0.000000 5.697017 4.323893 11.987069 4.945208 12.004257 4.945170 11.448066 4.261436 4.128921 5.082332 3.061233 5.664838 2.499901 5.039046 3.848768 6.966748 1.473438 7.953971 0.000000 5.250970 6.028725 4.128114 12.730325 4.723998 12.530386 3.764675 12.084221 4.775398 3.486217 5.901381 3.266523 6.310612 4.630712 5.591698 2.496160 7.528047 1.405509 8.554005 0.000000 6.028275 5.251055 12.729924 4.128114 12.528846 4.723998 12.083259 3.764675 4.774995 5.901160 3.485740 6.310110 3.266289 5.591308 4.630572 7.527325 2.496173 8.553190 1.405510 9.326656 0.000000 5.081952 6.826720 4.724141 12.208787 4.128127 12.354131 3.764762 11.764852 4.628640 3.948505 5.570770 3.483211 6.431156 4.758226 6.019706 2.486886 7.750484 1.405610 8.583436 2.438194 9.016854 0.000000 6.826866 5.081903 12.210444 4.724141 12.354615 4.128129 11.765902 3.764762 4.629507 5.571824 3.949067 6.431835 3.483471 6.020039 4.758379 7.751138 2.486873 8.584250 1.405612 9.018584 2.438193 9.239789 0.000000 6.594516 7.365451 2.735838 13.626354 3.574655 13.351407 2.489471 12.969304 5.731794 4.590297 6.995369 4.570937 7.530664 5.983818 6.918824 3.773561 8.729589 2.424489 9.661627 1.393676 10.432048 2.812110 10.025853 0.000000 7.365073 6.594586 13.626081 2.735836 13.349842 3.574654 12.968399 2.489469 5.731549 6.995293 4.589967 7.530272 4.570780 6.918518 5.983716 8.728953 3.773570 9.660894 2.424494 10.432193 1.393677 10.024120 2.812110 11.460358 0.000000 6.460161 8.032794 3.574775 13.135342 2.735950 13.181865 2.489582 12.667738 5.606668 4.949343 6.715319 4.727584 7.630208 6.082580 7.268913 3.767252 8.920514 2.424325 9.685065 2.811854 10.152413 1.393555 10.222872 2.446520 11.085938 0.000000 8.032908 6.460122 13.136986 3.574777 13.182196 2.735953 12.668703 2.489583 5.607474 6.716306 4.949819 7.630808 4.727784 7.269198 6.082704 8.921068 3.767244 9.685773 2.424330 10.154098 2.811854 10.222698 1.393555 11.087640 2.446520 11.147349 0.000000 7.099967 8.256270 2.312032 13.806773 2.312078 13.651380 1.479367 13.234388 6.083977 5.206501 7.341057 5.157631 8.106840 6.590046 7.647367 4.255353 9.351416 2.782068 10.170352 2.412995 10.799481 2.413190 10.577208 1.403811 11.752270 1.403998 11.544344 0.000000 8.256152 7.099982 13.807468 2.312032 13.650715 2.312078 13.234400 1.479367 6.084274 7.341523 5.206595 8.106953 5.157657 7.647368 6.590059 9.351376 4.255353 10.170334 2.782073 10.800411 2.412995 10.576219 2.413190 11.753134 1.403810 11.543449 1.403998 12.090456 0.000000 4.543436 5.108982 7.566264 8.202155 7.223057 8.253045 6.834534 7.692015 1.109864 2.171173 2.159409 2.933938 3.465795 3.714899 4.041576 3.655588 4.525637 3.943037 4.897120 4.746211 5.319081 4.102704 5.410038 5.542444 6.147890 4.997154 6.223561 5.638677 6.546737 0.000000 5.109076 4.542869 8.202478 7.566495 8.252549 7.223978 7.691927 6.835094 1.109864 2.159414 2.171173 3.465778 2.933793 4.041538 3.714559 4.525629 3.655552 4.897082 3.943263 5.319709 4.745949 5.409307 4.103691 6.148406 5.542394 6.222902 4.998154 6.546656 5.639179 1.770074 0.000000 4.525550 4.580721 6.015082 10.030507 6.301601 9.743437 5.557507 9.334850 2.163895 1.112362 3.527304 2.158101 4.079153 3.487209 3.902241 2.670831 5.196727 2.619432 6.003312 2.796004 6.828832 3.436897 6.345707 3.694592 7.832868 4.199388 7.411089 4.294441 8.081294 2.399288 2.531882 0.000000 3.998651 3.022361 7.506269 9.375466 7.985852 9.008237 7.163524 8.601868 2.184386 1.113150 3.015637 2.144279 2.904542 2.801407 2.576068 3.235133 3.858784 3.816520 4.870674 3.926067 5.897523 4.879136 5.214663 5.040073 7.015586 5.813527 6.448081 5.869893 7.241519 3.075330 2.403995 1.758850 0.000000 4.580898 4.525521 10.030304 6.014913 9.742338 6.301952 9.334210 5.557608 2.163887 3.527321 1.112361 4.079023 2.158105 3.902300 3.487213 5.196423 2.670855 6.002864 2.619501 6.829045 2.795478 6.344445 3.437477 7.832917 3.694228 7.409866 4.199890 8.080694 4.294543 2.531752 2.399372 4.320399 3.899450 0.000000 3.022611 3.998726 9.374978 7.505957 9.007165 7.986072 8.601094 7.163486 2.184388 3.015502 1.113148 2.904258 2.144282 2.576127 2.801470 3.858292 3.235102 4.870036 3.816476 5.897361 3.925461 5.213418 4.879558 7.015284 5.039593 6.446896 5.813873 7.240767 5.869855 2.404086 3.075366 3.899259 3.642680 1.758854 0.000000 2.577506 4.753314 6.946083 11.765308 6.850784 12.041082 6.256106 11.328496 4.487281 3.519985 4.794773 2.124899 5.063998 2.646915 4.138348 1.102177 6.358168 2.172095 7.521657 3.178170 7.978813 2.934745 8.431333 4.395037 9.225533 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AuxInfo=1/0/N:9,10,11,20,22,21,23,24,26,25,27,16,17,18,19,12,13,28,29,14,15,7,8,1,2,3,5,4,6/E:(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)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.1,25.1,26.1,27.1,28.1,29.1/rA:45O1O1O1O1O1O1NNCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;s3s5;s4s6;;s9;s9;s10;s11;s1s12;s2s13s14;s12;s13;s16;s17;s18;s19;s18;s19;s20;s21;s22;s23;s7s24s26;s8s25s27;s9;s9;s10;s10;s11;s11;s16;s17;s20;s21;s22;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.998196 0.000000 9.312592 10.555263 0.000000 10.554227 9.312677 15.891236 0.000000 9.153496 10.982226 2.282764 16.342872 0.000000 10.981577 9.153771 16.345181 2.282762 17.052380 0.000000 8.559982 10.117245 1.291729 15.587500 1.291440 16.166096 0.000000 10.116427 8.560158 15.588724 1.291727 16.165085 1.291437 15.336096 0.000000 4.290157 4.290116 8.143775 8.143123 8.610208 8.610426 7.754466 7.754305 0.000000 3.747564 3.789743 7.298794 9.493907 7.889458 9.740920 6.945083 8.984582 1.561518 0.000000 3.789804 3.747610 9.494234 7.297797 9.740256 7.888957 8.984372 6.944368 1.561518 2.650381 0.000000 2.450689 3.508827 7.354711 10.281905 7.588311 10.643622 6.785709 9.820269 2.563370 1.517885 3.035485 0.000000 3.508709 2.450703 10.282627 7.354330 10.643446 7.588178 9.820500 6.785464 2.563384 3.035507 1.517873 3.286249 0.000000 1.264372 2.425548 8.795530 9.865721 8.901245 10.194657 8.171188 9.370413 3.171761 2.557643 2.880028 1.504383 2.606754 0.000000 2.425547 1.264373 9.866390 8.795266 10.194816 8.901276 9.370803 8.171080 3.171701 2.879899 2.557704 2.606763 1.504391 1.551676 0.000000 2.829783 4.635970 6.494930 11.474269 6.470145 11.948114 5.776802 11.083240 3.626571 2.605276 4.181623 1.376086 4.593316 2.443876 3.838359 0.000000 4.635699 2.829886 11.475542 6.494856 11.948254 6.470126 11.083886 5.776758 3.626744 4.181930 2.605167 4.593467 1.376071 3.838331 2.443920 5.926674 0.000000 4.284973 5.957729 5.041105 12.369681 5.044189 12.874342 4.307269 12.016069 4.299026 3.274469 5.198538 2.585532 5.802611 3.879036 5.176528 1.471234 7.123538 0.000000 5.957253 4.285095 12.370899 5.041074 12.874084 5.044159 12.016472 4.307240 4.299065 5.198789 3.274075 5.802595 2.585395 5.176349 3.879004 7.123278 1.471212 8.233293 0.000000 5.307270 6.389326 4.179605 12.642782 4.805517 12.985554 3.780485 12.218832 4.518770 3.355523 5.716339 3.230310 6.269566 4.664442 5.707550 2.558510 7.489821 1.427908 8.549734 0.000000 6.388405 5.307239 12.642178 4.179592 12.983343 4.805510 12.217373 3.780478 4.517671 5.715493 3.354254 6.268562 3.229765 5.706777 4.664057 7.488390 2.558405 8.548309 1.427898 8.972087 0.000000 4.997607 7.117354 4.800139 13.240888 4.180277 13.922794 3.777183 12.992775 5.360804 4.564927 6.138495 3.760270 6.880914 4.870621 6.292904 2.483127 8.240905 1.428249 9.308422 2.451094 9.475304 0.000000 7.117092 4.997909 13.243672 4.800138 13.923902 4.180272 12.994604 3.777183 5.361569 6.139612 4.564930 6.881595 3.760383 6.293106 4.870850 8.241435 2.483170 9.309428 1.428249 9.477934 2.451112 10.468063 0.000000 6.639273 7.785335 2.774661 13.683384 3.651685 14.065198 2.495434 13.302431 5.657792 4.635136 6.943084 4.611590 7.601670 6.051740 7.104180 3.836675 8.810086 2.466340 9.802836 1.405638 10.167527 2.828339 10.707034 0.000000 7.784355 6.639301 13.682934 2.774647 14.062865 3.651680 13.300983 2.495428 5.656846 6.942427 4.633969 7.600757 4.611123 7.103441 6.051409 8.808682 3.836591 9.801442 2.466321 10.167721 1.405638 10.704275 2.828355 11.304430 0.000000 6.394580 8.398429 3.653013 14.231604 2.776543 14.932251 2.496816 14.012573 6.348820 5.576875 7.290855 4.999740 8.113005 6.213625 7.585069 3.789098 9.457349 2.471107 10.469918 2.837628 10.609765 1.404658 11.593229 2.468907 11.784101 0.000000 8.398005 6.394871 14.234320 3.653013 14.933032 2.776539 14.014188 2.496818 6.349411 7.291841 5.576676 8.113513 4.999748 7.585132 6.213772 9.457648 3.789110 10.470686 2.471091 10.612314 2.837637 11.592849 1.404656 11.786791 2.468918 12.676202 0.000000 7.082870 8.668946 2.379596 14.418790 2.379379 14.977810 1.483358 14.136091 6.452637 5.581286 7.620642 5.320791 8.406267 6.691190 7.913547 4.293590 9.688543 2.823927 10.671266 2.426781 10.903916 2.420995 11.680071 1.412239 12.039837 1.412483 12.743743 0.000000 8.668206 7.083034 14.419999 2.379590 14.977001 2.379371 14.136192 1.483353 6.452506 7.620851 5.580616 8.406077 5.320561 7.913200 6.691095 9.687983 4.293550 10.670955 2.823903 10.905358 2.426781 11.678448 2.421000 12.041260 1.412242 12.742346 1.412489 12.888732 0.000000 4.716646 5.251306 7.651110 8.476086 7.964767 9.171905 7.196635 8.238849 1.106382 2.186715 2.171108 2.938208 3.482433 3.752925 4.070124 3.648633 4.575437 4.067073 5.111219 4.356859 5.070072 4.915774 6.230252 5.338178 6.109520 5.798113 7.101500 5.958376 7.025483 0.000000 5.251312 4.716537 8.477179 7.650897 9.172005 7.965472 8.239368 7.196941 1.106384 2.171124 2.186716 3.482442 2.938248 4.070145 3.752815 4.575367 3.648949 5.111365 4.067403 5.071467 4.356038 6.229689 4.916951 6.110852 5.337576 7.101147 5.799178 7.025933 5.958679 1.780374 0.000000 4.605705 4.789264 6.323744 10.144005 7.089894 10.391583 6.073598 9.660207 2.163110 1.100744 3.550826 2.178682 4.094552 3.501667 3.958672 2.784206 5.183054 2.918982 6.097772 2.608115 6.566005 4.217198 6.963169 3.747107 7.710298 5.007217 8.045703 4.791247 8.357290 2.400846 2.524316 0.000000 4.020994 3.230461 7.903568 9.411389 8.684890 9.401474 7.665850 8.763625 2.191324 1.108788 3.029981 2.155937 2.898618 2.778338 2.616864 3.340650 3.801131 4.070528 4.888549 3.967334 5.660695 5.441194 5.636680 5.242215 6.879245 6.436585 6.853323 6.330002 7.377058 3.081149 2.407534 1.769669 0.000000 4.789363 4.605687 10.144362 6.322439 10.390761 7.088971 9.659929 6.072510 2.163168 3.550868 1.100765 4.094572 2.178619 3.958826 3.501698 5.182765 2.783912 6.097511 2.918285 6.566952 2.606471 6.961913 4.216790 7.711043 3.745575 8.044550 5.006586 8.357029 4.790189 2.524394 2.400872 4.318983 3.900207 0.000000 3.230678 4.021197 9.411233 7.902036 9.400361 8.683877 8.762967 7.664622 2.191331 3.030010 1.108790 2.898624 2.155931 2.617152 2.778557 3.800707 3.340406 4.888055 4.069864 5.661195 3.965803 5.635244 5.440828 6.879484 5.240646 6.851964 6.435948 7.376445 6.328875 2.407502 3.081148 3.900215 3.624455 1.769687 0.000000 2.364392 4.764763 7.132018 11.913052 6.822053 12.449765 6.288394 11.550801 4.419139 3.532980 4.655795 2.087970 4.955078 2.516084 4.055595 1.102217 6.277097 2.181611 7.522953 3.445871 7.850463 2.683317 8.695193 4.606463 9.202054 4.068015 9.935121 4.833821 10.139276 4.441261 5.436638 3.857685 4.183663 5.661153 4.071498 0.000000 4.764544 2.364641 11.914900 7.132105 12.450552 6.822148 11.552053 6.288480 4.419498 4.656382 3.532981 4.955503 2.088024 4.055694 2.516250 6.277463 1.102221 7.523661 2.181650 7.852273 3.445965 8.695224 2.683347 9.203915 4.606569 9.935430 4.068073 10.140399 4.833904 5.436893 4.441749 5.661753 4.072239 3.857449 4.183533 6.564822 0.000000 5.255297 5.810316 4.825292 12.207825 5.766706 12.377581 4.651596 11.690823 4.185266 2.857183 5.440200 3.042671 5.813334 4.437062 5.239991 2.807238 6.929543 2.188924 7.999098 1.093229 8.559201 3.445437 8.811555 2.158628 9.747154 3.929269 9.963179 3.414205 10.368503 4.261800 4.585702 2.073082 3.215579 6.306125 5.575815 3.789030 7.213940 0.000000 5.809068 5.255094 12.205518 4.825319 12.373780 5.766740 11.687742 4.651628 4.183059 5.438279 2.855063 5.811403 3.041761 5.238683 4.436353 6.927078 2.807064 7.996413 2.188909 8.557792 1.093240 8.807632 3.445460 9.745417 2.158664 9.959209 3.929300 10.365528 3.414238 4.583114 4.259864 6.303996 5.574317 2.070536 3.213266 7.211230 3.789133 8.266651 0.000000 4.671136 7.143067 5.771323 13.236404 4.838723 14.026756 4.658922 13.042838 5.641475 4.989668 6.160883 3.957333 6.900234 4.794530 6.297029 2.669696 8.274180 2.182072 9.345305 3.443352 9.428988 1.095649 10.581191 3.923885 10.672029 2.165113 11.705329 3.416201 11.724859 5.183596 6.614055 4.853106 5.891983 6.971106 5.484065 2.455100 8.738022 4.351970 8.673588 0.000000 7.143102 4.671567 13.240420 5.771327 14.029158 4.838728 13.045909 4.658929 5.642829 6.162692 4.990073 6.901547 3.957681 6.297616 4.795003 8.275470 2.669795 9.347236 2.182080 9.432549 3.443368 10.582246 1.095650 10.675841 3.923901 11.706871 2.165119 11.727639 3.416211 6.615244 5.185363 6.973144 5.486212 4.853054 5.892034 8.738715 2.455073 8.678336 4.351985 10.748073 0.000000 7.486252 8.320277 2.426490 14.047336 3.971074 14.314912 2.689361 13.622328 6.167591 5.137417 7.556871 5.347545 8.166082 6.800088 7.709029 4.741466 9.292353 3.466502 10.239567 2.188259 10.666132 3.920743 11.035914 1.093093 11.753585 3.447574 12.082840 2.168268 12.395914 5.907286 6.450330 4.147573 5.599886 8.283840 7.623569 5.572732 9.654510 2.511199 10.332595 5.016157 10.950604 0.000000 8.319086 7.486218 14.045693 2.426473 14.311285 3.971072 13.619667 2.689356 6.166107 7.555669 5.135933 8.164669 5.346950 7.708013 6.799617 9.290308 4.741365 10.237344 3.466486 10.665471 2.188259 11.032175 3.920761 11.752598 1.093094 12.079031 3.447587 12.393382 2.168272 6.448336 5.906130 8.282451 7.622851 4.145780 5.597961 9.652044 5.572857 10.333570 2.511245 10.945813 5.016175 12.237027 0.000000 7.100870 9.305879 3.976910 14.961656 2.433080 15.771127 2.694917 14.808953 7.244394 6.572673 8.103224 5.924627 8.981977 7.048667 8.471273 4.671923 10.342547 3.471108 11.331689 3.930198 11.387856 2.189451 12.501531 3.448985 12.543201 1.092943 13.562866 2.170529 13.560677 6.614818 8.026946 6.041218 7.468329 8.813477 7.571884 4.780720 10.847706 5.021514 10.674937 2.522623 12.659212 4.332288 12.771865 0.000000 9.305587 7.101249 14.965381 3.976911 15.772800 2.433079 14.811485 2.694920 7.245346 8.104655 6.572668 8.982861 5.924743 8.471540 7.048942 10.343299 4.671962 11.333051 3.471095 11.391112 3.930207 12.501772 2.189449 12.546722 3.448995 13.563589 1.092943 13.562896 2.170535 8.027681 6.616285 8.815173 7.573709 6.040745 7.467862 10.847795 4.780773 10.679605 5.021546 12.658219 2.522631 12.776603 4.332300 14.477612 0.000000 0.3646552 0.0460116 0.0430405 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= 296 297 297 297 297 MxSgAt= 45 MxSgA2= 45. 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 45 45 45 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 45 45 45 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 45 45 45 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 45 45 45 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 45 45 45 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 45 45 45 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 45 45 45 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 45 45 45 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 45 45 45 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 45 45 45 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 45 45 45 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 45 45 45 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 45 45 45 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 45 45 45 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 45 45 45 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= 21321 NPrTT= 111342 LenC2= 15271 LenP2D= 47173. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 322 RedAO= T EigKep= 6.50D-04 NBF= 322 NBsUse= 322 1.00D-06 EigRej= -1.00D+00 NBFU= 322 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= 288 289 289 291 292 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 0 1 -1368.02875007842 -1368.18009109892 -0.151341020503 -1363.52375343774 4.656337661183 -1368.41431080024 -4.890557362504 -1368.53969416931 -0.125383369072 -1368.42361987876 0.116074290553 -1368.70274240425 -0.279122525491 -1368.71640474590 -0.013662341646 -1368.71888185251 -0.002477106616 -1368.72025632285 -0.001374470337 -1368.72028976895 -0.000033446101 -1368.72067392519 -0.000384156241 -1368.72064645681 0.000027468378 -1368.72068866833 -0.000042211520 -1368.72068927680 -0.000000608464 -1368.72069048725 -0.000001210451 -1368.72069092386 -0.000000436609 -1368.72069100710 -0.000000083247 -1368.72069100942 -0.000000002317 -1368.72069100969 -0.000000000272 -1368.72069100984 -0.000000000151 -1368.72069100978 0.000000000068 -1368.72069101 22 1.364417361509e+03 -8.049365070490e+03 2.888949847419e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 333556 IEndB= 333556 NGot= 402653184 MDV= 402440275 LenX= 402440275 LenY= 402336150 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. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. 1.04061623e-04 5.14263911e-01 1.50136743e-04 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 8 8 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.007838269 0.058446881 -0.060319257 -0.007847393 0.058449285 0.060317873 0.039776478 -0.001478246 0.087892153 -0.039714917 -0.001542401 -0.087919332 0.024260678 -0.053973142 -0.076320224 -0.024319546 -0.053911720 0.076345137 -0.051888801 0.045022122 -0.009400054 0.051886985 0.045024265 0.009402056 -0.000000171 -0.014897872 0.000003537 0.009168831 -0.006945322 0.015420530 -0.009164268 -0.006955985 -0.015417469 -0.015624418 0.002231392 0.006906404 0.015628796 0.002231833 -0.006905532 -0.005866372 -0.050297038 0.051448914 0.005871556 -0.050294875 -0.051448492 0.020821716 0.007371600 -0.012834667 -0.020828343 0.007372212 0.012830984 -0.007122064 0.005376151 -0.000423671 0.007125019 0.005378273 0.000424140 -0.001337415 0.002244391 0.005617917 0.001341656 0.002236921 -0.005619209 -0.000737453 0.000803496 -0.005981242 0.000729520 0.000809008 0.005981593 0.010485766 -0.005109529 0.011398342 -0.010476790 -0.005115084 -0.011402029 0.008148277 -0.011199095 -0.008328731 -0.008153299 -0.011191195 0.008331280 -0.008171669 0.007285746 -0.001276582 0.008170516 0.007285728 0.001277108 -0.000493469 0.001586884 0.000571172 0.000492844 0.001586099 -0.000573338 -0.003425015 0.003008025 -0.001734050 -0.001229008 0.000158593 -0.002438217 0.003424672 0.003008825 0.001733881 0.001229893 0.000158372 0.002436163 -0.006205250 0.001162122 -0.000387169 0.006205024 0.001159653 0.000389250 -0.000881533 0.001697017 0.001308530 0.000882258 0.001696859 -0.001309162 -0.001234521 0.000456004 -0.001959452 0.001233188 0.000457667 0.001960378 -0.000094461 -0.000822043 -0.002072597 0.000092858 -0.000820355 0.002073173 0.000198622 0.000425112 0.002193926 -0.000197246 0.000423364 -0.002193964 0.087919332 0.023758211 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1368.76885438297 -1368.76890512755 -0.000050744578 -1368.76890462977 0.000000497779 -1368.76890534878 -0.000000719011 -1368.76890541455 -0.000000065771 -1368.76890545639 -0.000000041842 -1368.76890546632 -0.000000009928 -1368.76890546675 -0.000000000429 -1368.76890546686 -0.000000000111 -1368.76890546683 0.000000000034 -1368.76890547 10 1.362459352679e+03 -7.932661330942e+03 2.831855288165e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 333556 IEndB= 333556 NGot= 402653184 MDV= 402440275 LenX= 402440275 LenY= 402336150 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. Fock matrices will be formed incrementally for 20 cycles. (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 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0.618843 0.627409 0.640958 0.651502 0.658970 0.663586 0.668264 0.673447 0.687964 0.711812 0.719205 0.723955 0.724985 0.736573 0.746269 0.767890 0.773975 0.803770 0.809362 0.814627 0.829488 0.844169 0.847925 0.856932 0.863788 0.867849 0.875312 0.881737 0.896855 0.897859 0.916928 0.931175 0.931298 0.949238 0.968485 0.997229 1.005015 1.008800 1.010780 1.020719 1.026642 1.037214 1.037307 1.069982 1.079462 1.105383 1.109798 1.114707 1.144523 1.157483 1.159434 1.187700 1.194349 1.238068 1.255869 1.311363 1.319127 1.320539 1.331960 1.337612 1.375783 1.393161 1.424096 1.428198 1.477851 1.531182 1.532031 1.673636 1.691905 1.728570 1.729582 22.236366 22.316437 22.416503 22.459580 22.497891 22.515618 22.527349 22.527642 22.537318 22.567945 22.572189 22.612540 22.617605 22.638564 22.653148 22.671880 22.676074 22.721690 22.728237 22.734944 22.737175 31.329404 31.329515 41.436049 41.436402 41.509717 41.524319 41.540669 41.540855 29.116648 29.116647 29.116990 29.116991 29.116739 29.116823 22.046826 22.046826 15.954422 15.952864 15.954435 15.954525 15.954490 15.954823 15.954051 15.954659 15.953799 15.953889 15.953835 15.953957 15.954240 15.954243 15.953247 15.953528 15.954243 15.954350 15.956181 15.956260 15.958240 2.496542 2.496547 2.551304 2.740047 2.818233 2.818234 1.556651 1.557382 1.508514 1.663694 1.693953 1.746919 1.633809 1.634020 1.648063 1.742014 1.778491 1.687401 1.871984 1.468566 1.491090 1.898180 1.657246 1.667503 1.414125 1.341346 2.196927 2.275885 1.281603 1.377216 1.702698 1.702323 1.592312 1.676442 1.515575 1.794965 1.705407 1.754288 1.501444 1.404408 1.774305 1.401987 1.250314 1.333070 1.517816 1.997381 1.648457 1.597343 1.195048 1.208679 1.220877 1.548978 1.359463 1.575601 1.373488 1.385934 1.557387 1.566401 1.259559 1.311748 1.342172 2.039130 2.055371 1.584871 1.578279 2.386982 2.386108 2.313611 1.708511 2.532806 2.335219 1.589129 2.391531 2.118367 2.213699 2.233933 1.984363 1.408574 1.414295 1.883768 1.916808 1.785588 1.842152 2.197241 2.341174 1.728912 1.696570 1.778484 1.290564 1.571941 1.558940 1.623780 1.647966 1.554318 1.259200 1.367396 1.130867 1.901884 1.480076 1.354724 1.564870 1.687155 1.657263 1.583369 2.047502 1.558745 1.449802 1.888204 1.659475 1.552562 2.395277 1.130646 2.143823 1.546132 1.659799 1.830005 2.034523 1.723023 1.449918 1.557219 1.492974 1.426046 2.180612 1.512238 1.729839 1.395218 1.412334 2.131355 1.726532 1.693663 1.558817 1.414461 1.887912 1.648607 1.609582 1.445346 1.552049 1.595274 1.715356 1.481648 1.662893 1.661910 1.793746 1.727163 1.727109 1.740829 1.823242 1.824145 1.989600 2.376610 2.202446 1.866238 1.690690 2.002823 1.975293 1.823711 2.088741 1.968734 1.995383 2.155010 2.196920 1.957916 2.137033 2.109228 2.169974 1.688340 1.676725 2.407016 2.068899 1.917566 2.034047 2.328624 2.134055 2.257939 2.409339 2.407423 2.243590 2.291344 2.303760 2.279001 2.361494 2.518348 2.272545 2.695311 2.333363 2.299902 2.246443 2.359731 2.868770 2.073277 2.860345 2.115828 2.586593 2.136252 2.485805 2.161966 1.954896 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AuxInfo=1/0/N:9,10,11,20,22,21,23,24,26,25,27,16,17,18,19,12,13,28,29,14,15,7,8,1,2,3,5,4,6/E:(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)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.1,25.1,26.1,27.1,28.1,29.1/rA:45O1O1O1O1O1O1NNCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;s3s5;s4s6;;s9;s9;s10;s11;s1s12;s2s13s14;s12;s13;s16;s17;s18;s19;s18;s19;s20;s21;s22;s23;s7s24s26;s8s25s27;s9;s9;s10;s10;s11;s11;s16;s17;s20;s21;s22;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2070 CBGUSER 000264865 EM64L-G09RevD.01 5-Mar-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 129 C1[X(C21H16N2O6)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 376.2344999999997 0 1 AuxInfo=1/0/N:9,10,11,20,22,21,23,24,26,25,27,16,17,18,19,12,13,28,29,14,15,7,8,1,2,3,5,4,6/E:(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)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.1,25.1,26.1,27.1,28.1,29.1/rA:45O1O1O1O1O1O1NNCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;s3s5;s4s6;;s9;s9;s10;s11;s1s12;s2s13s14;s12;s13;s16;s17;s18;s19;s18;s19;s20;s21;s22;s23;s7s24s26;s8s25s27;s9;s9;s10;s10;s11;s11;s16;s17;s20;s21;s22;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-3221.inp" -scrdir="/scratch/" chk=000264865-Freq.chk nprocshared=4 mem=3GB #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 000264865 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 16 16 16 16 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 0 0 0 0 2 2 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000109 0.000035 0.021536 0.007491 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.552008e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2369.5777653350 322 760 322 102 102 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 45 45 45 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 0 376.2344999999997 AuxInfo=1/0/N:9,10,11,20,22,21,23,24,26,25,27,16,17,18,19,12,13,28,29,14,15,7,8,1,2,3,5,4,6/E:(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)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.1,25.1,26.1,27.1,28.1,29.1/rA:45O1O1O1O1O1O1NNCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;s3s5;s4s6;;s9;s9;s10;s11;s1s12;s2s13s14;s12;s13;s16;s17;s18;s19;s18;s19;s20;s21;s22;s23;s7s24s26;s8s25s27;s9;s9;s10;s10;s11;s11;s16;s17;s20;s21;s22;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.998197 0.000000 9.312593 10.555263 0.000000 10.554227 9.312677 15.891237 0.000000 9.153497 10.982227 2.282764 16.342873 0.000000 10.981577 9.153771 16.345181 2.282762 17.052380 0.000000 8.559982 10.117245 1.291730 15.587500 1.291440 16.166096 0.000000 10.116427 8.560157 15.588724 1.291727 16.165085 1.291438 15.336095 0.000000 4.290157 4.290116 8.143775 8.143124 8.610209 8.610426 7.754466 7.754305 0.000000 3.747564 3.789743 7.298794 9.493907 7.889458 9.740921 6.945082 8.984582 1.561518 0.000000 3.789804 3.747610 9.494234 7.297797 9.740256 7.888957 8.984371 6.944368 1.561519 2.650381 0.000000 2.450690 3.508828 7.354711 10.281905 7.588311 10.643622 6.785708 9.820269 2.563371 1.517886 3.035485 0.000000 3.508709 2.450703 10.282627 7.354330 10.643446 7.588179 9.820499 6.785464 2.563384 3.035507 1.517873 3.286249 0.000000 1.264373 2.425549 8.795530 9.865722 8.901245 10.194657 8.171187 9.370413 3.171761 2.557643 2.880028 1.504382 2.606754 0.000000 2.425548 1.264373 9.866391 8.795265 10.194816 8.901275 9.370803 8.171079 3.171701 2.879899 2.557704 2.606764 1.504390 1.551677 0.000000 2.829783 4.635970 6.494931 11.474269 6.470145 11.948114 5.776801 11.083240 3.626571 2.605276 4.181623 1.376085 4.593316 2.443875 3.838359 0.000000 4.635699 2.829887 11.475542 6.494856 11.948254 6.470126 11.083886 5.776757 3.626744 4.181930 2.605167 4.593467 1.376071 3.838331 2.443920 5.926674 0.000000 4.284973 5.957729 5.041106 12.369680 5.044190 12.874341 4.307268 12.016068 4.299025 3.274468 5.198537 2.585531 5.802610 3.879035 5.176528 1.471234 7.123537 0.000000 5.957254 4.285095 12.370899 5.041073 12.874085 5.044159 12.016471 4.307240 4.299066 5.198789 3.274075 5.802596 2.585396 5.176350 3.879004 7.123278 1.471213 8.233293 0.000000 5.307270 6.389326 4.179606 12.642782 4.805517 12.985554 3.780484 12.218832 4.518769 3.355523 5.716339 3.230310 6.269566 4.664441 5.707550 2.558510 7.489821 1.427908 8.549733 0.000000 6.388406 5.307239 12.642178 4.179592 12.983343 4.805510 12.217372 3.780477 4.517671 5.715493 3.354255 6.268562 3.229765 5.706778 4.664057 7.488389 2.558405 8.548309 1.427898 8.972087 0.000000 4.997607 7.117354 4.800139 13.240888 4.180278 13.922793 3.777183 12.992774 5.360804 4.564926 6.138495 3.760269 6.880913 4.870620 6.292904 2.483126 8.240905 1.428250 9.308422 2.451094 9.475304 0.000000 7.117092 4.997909 13.243672 4.800138 13.923902 4.180272 12.994603 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3.482443 2.938248 4.070145 3.752815 4.575367 3.648948 5.111364 4.067403 5.071467 4.356037 6.229689 4.916950 6.110852 5.337576 7.101147 5.799178 7.025933 5.958679 1.780374 0.000000 4.605705 4.789264 6.323744 10.144005 7.089894 10.391584 6.073597 9.660207 2.163110 1.100744 3.550826 2.178682 4.094552 3.501666 3.958672 2.784206 5.183054 2.918981 6.097772 2.608115 6.566005 4.217197 6.963169 3.747106 7.710299 5.007216 8.045704 4.791247 8.357290 2.400846 2.524317 0.000000 4.020994 3.230461 7.903568 9.411389 8.684890 9.401474 7.665849 8.763625 2.191323 1.108787 3.029980 2.155937 2.898617 2.778337 2.616864 3.340650 3.801130 4.070527 4.888549 3.967334 5.660695 5.441194 5.636680 5.242215 6.879245 6.436585 6.853323 6.330002 7.377059 3.081149 2.407534 1.769669 0.000000 4.789364 4.605687 10.144362 6.322439 10.390762 7.088971 9.659929 6.072509 2.163169 3.550869 1.100766 4.094573 2.178619 3.958826 3.501698 5.182765 2.783911 6.097511 2.918284 6.566953 2.606470 6.961914 4.216790 7.711044 3.745575 8.044550 5.006586 8.357029 4.790188 2.524394 2.400871 4.318984 3.900207 0.000000 3.230679 4.021198 9.411233 7.902036 9.400362 8.683877 8.762967 7.664622 2.191332 3.030010 1.108790 2.898624 2.155932 2.617152 2.778558 3.800707 3.340406 4.888055 4.069865 5.661195 3.965803 5.635244 5.440828 6.879484 5.240646 6.851964 6.435948 7.376445 6.328875 2.407502 3.081148 3.900215 3.624455 1.769688 0.000000 2.364392 4.764763 7.132018 11.913052 6.822054 12.449765 6.288394 11.550800 4.419139 3.532980 4.655794 2.087969 4.955077 2.516083 4.055595 1.102217 6.277097 2.181611 7.522953 3.445870 7.850463 2.683317 8.695192 4.606463 9.202054 4.068015 9.935121 4.833821 10.139276 4.441261 5.436638 3.857684 4.183662 5.661153 4.071498 0.000000 4.764545 2.364641 11.914901 7.132105 12.450553 6.822148 11.552053 6.288479 4.419499 4.656383 3.532982 4.955504 2.088024 4.055695 2.516250 6.277464 1.102222 7.523661 2.181650 7.852273 3.445965 8.695224 2.683347 9.203916 4.606569 9.935430 4.068072 10.140400 4.833904 5.436893 4.441749 5.661754 4.072239 3.857449 4.183533 6.564823 0.000000 5.255297 5.810316 4.825292 12.207825 5.766707 12.377581 4.651596 11.690822 4.185266 2.857183 5.440200 3.042672 5.813334 4.437062 5.239991 2.807239 6.929543 2.188924 7.999098 1.093229 8.559201 3.445437 8.811555 2.158628 9.747155 3.929269 9.963179 3.414206 10.368504 4.261800 4.585702 2.073082 3.215579 6.306125 5.575815 3.789029 7.213940 0.000000 5.809068 5.255094 12.205519 4.825319 12.373781 5.766740 11.687742 4.651627 4.183060 5.438279 2.855064 5.811404 3.041762 5.238684 4.436353 6.927078 2.807064 7.996413 2.188910 8.557792 1.093241 8.807632 3.445460 9.745417 2.158664 9.959209 3.929300 10.365528 3.414239 4.583114 4.259864 6.303997 5.574318 2.070536 3.213266 7.211230 3.789133 8.266652 0.000000 4.671137 7.143068 5.771322 13.236405 4.838723 14.026756 4.658920 13.042838 5.641475 4.989668 6.160883 3.957333 6.900234 4.794529 6.297030 2.669697 8.274180 2.182073 9.345305 3.443352 9.428989 1.095649 10.581191 3.923885 10.672029 2.165112 11.705329 3.416200 11.724860 5.183596 6.614055 4.853106 5.891983 6.971107 5.484065 2.455100 8.738022 4.351970 8.673589 0.000000 7.143103 4.671566 13.240420 5.771327 14.029159 4.838728 13.045908 4.658929 5.642829 6.162692 4.990073 6.901547 3.957681 6.297616 4.795003 8.275470 2.669795 9.347235 2.182080 9.432549 3.443368 10.582245 1.095650 10.675841 3.923902 11.706871 2.165119 11.727639 3.416211 6.615244 5.185363 6.973144 5.486211 4.853053 5.892034 8.738715 2.455073 8.678336 4.351985 10.748073 0.000000 7.486252 8.320277 2.426490 14.047336 3.971074 14.314911 2.689361 13.622327 6.167591 5.137416 7.556870 5.347545 8.166082 6.800087 7.709028 4.741466 9.292353 3.466502 10.239567 2.188259 10.666131 3.920743 11.035913 1.093093 11.753585 3.447573 12.082840 2.168268 12.395914 5.907286 6.450330 4.147573 5.599886 8.283840 7.623569 5.572731 9.654511 2.511199 10.332595 5.016156 10.950604 0.000000 8.319086 7.486218 14.045694 2.426473 14.311285 3.971073 13.619667 2.689356 6.166107 7.555669 5.135934 8.164670 5.346951 7.708013 6.799616 9.290308 4.741365 10.237344 3.466486 10.665471 2.188259 11.032175 3.920761 11.752598 1.093093 12.079031 3.447587 12.393382 2.168272 6.448336 5.906130 8.282451 7.622851 4.145780 5.597961 9.652044 5.572857 10.333570 2.511245 10.945813 5.016176 12.237027 0.000000 7.100870 9.305879 3.976910 14.961656 2.433082 15.771126 2.694916 14.808952 7.244394 6.572673 8.103223 5.924626 8.981976 7.048666 8.471273 4.671923 10.342546 3.471108 11.331689 3.930197 11.387856 2.189451 12.501531 3.448985 12.543201 1.092943 13.562866 2.170529 13.560677 6.614818 8.026946 6.041217 7.468328 8.813477 7.571884 4.780719 10.847706 5.021514 10.674937 2.522622 12.659211 4.332287 12.771865 0.000000 9.305587 7.101249 14.965382 3.976912 15.772801 2.433080 14.811484 2.694921 7.245346 8.104656 6.572669 8.982862 5.924744 8.471540 7.048942 10.343299 4.671962 11.333051 3.471095 11.391112 3.930207 12.501771 2.189449 12.546722 3.448996 13.563589 1.092944 13.562896 2.170535 8.027681 6.616285 8.815174 7.573709 6.040745 7.467862 10.847795 4.780772 10.679605 5.021547 12.658219 2.522631 12.776603 4.332300 14.477611 0.000000 C21H16N2O6 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 0 376.2344999999997 AuxInfo=1/0/N:9,10,11,20,22,21,23,24,26,25,27,16,17,18,19,12,13,28,29,14,15,7,8,1,2,3,5,4,6/E:(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)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.1,25.1,26.1,27.1,28.1,29.1/rA:45O1O1O1O1O1O1NNCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:;;;;;s3s5;s4s6;;s9;s9;s10;s11;s1s12;s2s13s14;s12;s13;s16;s17;s18;s19;s18;s19;s20;s21;s22;s23;s7s24s26;s8s25s27;s9;s9;s10;s10;s11;s11;s16;s17;s20;s21;s22;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3646552 0.0460116 0.0430405 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= 21321 NPrTT= 111342 LenC2= 15271 LenP2D= 47173. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 322 RedAO= T EigKep= 6.50D-04 NBF= 322 NBsUse= 322 1.00D-06 EigRej= -1.00D+00 NBFU= 322 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= 288 289 291 291 292 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 0 1 -1368.04450412850 -1367.98253740974 0.061966718761 -1362.28312456337 5.699412846371 -1368.24029116362 -5.957166600252 -1368.60524469527 -0.364953531647 -1368.31714925954 0.288095435722 -1368.70232075424 -0.385171494697 -1368.75595050577 -0.053629751532 -1368.75905502176 -0.003104515985 -1368.76879679537 -0.009741773607 -1368.76905728592 -0.000260490554 -1368.76908848874 -0.000031202816 -1368.76889428929 0.000194199446 -1368.76866246242 0.000231826868 -1368.76893009392 -0.000267631499 -1368.76893563654 -0.000005542620 -1368.76893779879 -0.000002162246 -1368.76894086772 -0.000003068935 -1368.76894136924 -0.000000501516 -1368.76894138656 -0.000000017322 -1368.76894138972 -0.000000003161 -1368.76894138983 -0.000000000110 -1368.76894138977 0.000000000061 -1368.76894138985 -0.000000000076 -1368.76894139 24 1.362459092508e+03 -7.932660834657e+03 2.831855035424e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 334084 IEndB= 334084 NGot= 402653184 MDV= 402439747 LenX= 402439747 LenY= 402335622 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. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 45. Will process 46 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111 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= 402652408 using IRadAn= 2. Generate precomputed XC quadrature information. Solving linear equations simultaneously, MaxMat= 0. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 590000000 NMat= 138 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 138 NMatS0= 138 NMatT0= 0 NMatD0= 138 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 138 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 135 vectors produced by pass 0 Test12= 2.24D-14 1.00D-09 XBig12= 1.88D+03 2.50D+01. AX will form 135 AO Fock derivatives at one time. 135 vectors produced by pass 1 Test12= 2.24D-14 1.00D-09 XBig12= 8.49D+02 3.93D+00. 135 vectors produced by pass 2 Test12= 2.24D-14 1.00D-09 XBig12= 1.68D+00 9.30D-02. 135 vectors produced by pass 3 Test12= 2.24D-14 1.00D-09 XBig12= 2.00D-03 3.67D-03. 113 vectors produced by pass 4 Test12= 2.24D-14 1.00D-09 XBig12= 4.37D-07 5.94D-05. 24 vectors produced by pass 5 Test12= 2.24D-14 1.00D-09 XBig12= 7.95D-11 7.11D-07. 3 vectors produced by pass 6 Test12= 2.24D-14 1.00D-09 XBig12= 1.51D-14 1.13D-08. InvSVY: IOpt=1 It= 1 EMax= 3.55D-14 Solved reduced A of dimension 680 with 138 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 336.06 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 560.160 0.033 232.065 -23.378 -0.058 215.965 948.354 0.124 502.045 -91.118 -0.258 576.515 (Enter /mnt/data/applications/G09/g09/l716.exe) PT8053.100S Mon Mar 5 22:23:15 2018 -18.81255 -18.81255 -18.81250 -18.81250 -18.78981 -18.78981 -14.22331 -14.22331 -10.01796 -10.01788 -9.99455 -9.99455 -9.97090 -9.97089 -9.95949 -9.95948 -9.95746 -9.95745 -9.95700 -9.95699 -9.95566 -9.95566 -9.95529 -9.95529 -9.95420 -9.95420 -9.94019 -9.94019 -9.93791 -1.12161 -1.12160 -0.99312 -0.97061 -0.96648 -0.96648 -0.83921 -0.83905 -0.80188 -0.78571 -0.76843 -0.74826 -0.72741 -0.72739 -0.71924 -0.68432 -0.68273 -0.64759 -0.63863 -0.60214 -0.59969 -0.58441 -0.57579 -0.56202 -0.55171 -0.53134 -0.51008 -0.50225 -0.49239 -0.48327 -0.48106 -0.48105 -0.46844 -0.46569 -0.46277 -0.45620 -0.44621 -0.43791 -0.43755 -0.43615 -0.43489 -0.42646 -0.42346 -0.41929 -0.41406 -0.39506 -0.39277 -0.38233 -0.38174 -0.37659 -0.37490 -0.37025 -0.36536 -0.35994 -0.35060 -0.34751 -0.33744 -0.33360 -0.32198 -0.30307 -0.30052 -0.28275 -0.28268 -0.27386 -0.27372 -0.26876 -0.26874 -0.26469 -0.25204 -0.25068 -0.25006 -0.24696 -0.21644 -0.16142 -0.15729 -0.13584 -0.12189 -0.08483 -0.08454 -0.06894 -0.05801 -0.01466 -0.00716 0.03721 0.03870 0.05786 0.05827 0.06605 0.06731 0.07341 0.07701 0.08470 0.09212 0.09438 0.10810 0.11072 0.11325 0.12114 0.12326 0.12850 0.12911 0.13351 0.13716 0.13910 0.14681 0.15058 0.15335 0.15674 0.15957 0.16525 0.16993 0.17393 0.17769 0.18539 0.19014 0.19525 0.20420 0.21434 0.22000 0.22432 0.23448 0.23480 0.23863 0.24104 0.24589 0.25666 0.25907 0.26475 0.27396 0.27894 0.28607 0.28618 0.29149 0.29666 0.29700 0.29968 0.30273 0.30740 0.30776 0.31545 0.31586 0.32332 0.32381 0.32977 0.33116 0.33414 0.34301 0.34594 0.35120 0.35481 0.36045 0.36121 0.36336 0.36982 0.37859 0.38198 0.38551 0.39045 0.39271 0.39709 0.40879 0.40893 0.42281 0.42652 0.43592 0.43700 0.44925 0.45273 0.46135 0.46338 0.47028 0.47604 0.48328 0.49236 0.50497 0.51057 0.51713 0.52011 0.52632 0.52993 0.53913 0.54115 0.54614 0.54835 0.55467 0.56130 0.56507 0.57087 0.57825 0.58237 0.58671 0.59434 0.61079 0.61885 0.62743 0.64096 0.65148 0.65897 0.66359 0.66826 0.67344 0.68796 0.71181 0.71920 0.72395 0.72499 0.73657 0.74626 0.76789 0.77397 0.80376 0.80935 0.81462 0.82949 0.84416 0.84792 0.85691 0.86378 0.86783 0.87531 0.88173 0.89684 0.89785 0.91692 0.93117 0.93130 0.94921 0.96847 0.99721 1.00499 1.00881 1.01079 1.02070 1.02663 1.03719 1.03731 1.06998 1.07943 1.10538 1.10979 1.11467 1.14452 1.15748 1.15943 1.18769 1.19433 1.23805 1.25585 1.31135 1.31911 1.32054 1.33194 1.33759 1.37576 1.39314 1.42409 1.42820 1.47786 1.53118 1.53203 1.67363 1.69191 1.72857 1.72958 22.23636 22.31643 22.41650 22.45958 22.49789 22.51562 22.52735 22.52764 22.53731 22.56794 22.57219 22.61253 22.61760 22.63856 22.65314 22.67188 22.67607 22.72169 22.72823 22.73494 22.73717 31.32940 31.32951 41.43605 41.43640 41.50972 41.52432 41.54067 41.54085 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 O O O O O O N N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H -0.170379 -0.170375 -0.203767 -0.203766 -0.202432 -0.202430 0.027682 0.027681 -0.387338 -0.596029 -0.595942 0.370422 0.370483 -0.059253 -0.059335 -0.404645 -0.404722 0.432015 0.432195 -0.350383 -0.350303 -0.354364 -0.354397 -0.375188 -0.375282 -0.373559 -0.373579 0.371376 0.371395 0.228628 0.228640 0.243004 0.242510 0.242879 0.242509 0.276339 0.276354 0.254305 0.254234 0.255681 0.255683 0.290239 0.290239 0.291485 0.291489 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 25 26 27 28 29 O O O O O O N N C C C C C C C C C C C C C C C C C C C C C -0.170379 -0.170375 -0.203767 -0.203766 -0.202432 -0.202430 0.027682 0.027681 0.069931 -0.110514 -0.110554 0.370422 0.370483 -0.059253 -0.059335 -0.128305 -0.128368 0.432015 0.432195 -0.096078 -0.096069 -0.098682 -0.098715 -0.084949 -0.085044 -0.082074 -0.082091 0.371376 0.371395 0.00000 1.97662979e-04 2.56023586e-03 -9.19349586e-04 5.60159895e+02 3.33821340e-02 2.32064583e+02 -2.33780119e+01 -5.75248560e-02 2.15965344e+02 -3.9961 -3.7810 -0.0007 -0.0006 -0.0004 1.5023 11.9553 21.5238 27.9369 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 11.9351 19.7950 27.9093 36.1714 45.5160 54.1905 62.9114 65.4698 91.8604 103.0737 108.3688 140.0489 140.2145 176.2919 176.4322 192.7546 206.1945 213.6420 236.3691 276.3612 301.4676 318.7256 335.9163 345.6930 360.5893 373.0726 401.7277 413.5136 414.4667 443.6119 467.8211 483.1490 504.7964 507.6705 507.7061 528.2083 584.3967 607.1023 623.1534 624.6747 642.9555 664.6552 667.3831 674.2834 701.0082 708.7349 734.5314 742.7604 767.0387 767.8594 777.9714 780.8606 813.5932 824.2569 849.0543 850.1365 860.0508 865.3936 885.0532 913.7659 931.6820 943.5967 948.8354 989.9696 990.1568 996.1708 996.5079 1003.0940 1003.1721 1035.0629 1056.0988 1069.6121 1093.3003 1093.7427 1103.0150 1112.7516 1119.0987 1166.7305 1182.7948 1183.4261 1197.5973 1209.0599 1218.2195 1219.5792 1247.6411 1254.7643 1283.5098 1287.8994 1303.3490 1303.7064 1328.7612 1336.7539 1354.2117 1359.2659 1375.6003 1380.8433 1402.5107 1403.8092 1417.9131 1418.2113 1464.8212 1474.7441 1475.1861 1478.9321 1479.9080 1541.4891 1544.5637 1583.0223 1583.0451 1602.8114 1603.4443 1635.1009 1638.6300 2980.6059 2981.7725 2994.1377 3055.3609 3072.3372 3072.6270 3088.4126 3089.2908 3144.7171 3144.7296 3165.4301 3165.4688 3184.6576 3184.6662 3187.3432 3187.3581 10.3450 5.0795 6.1135 6.1772 8.4924 10.4913 9.1794 8.0504 5.1741 4.9549 8.2834 4.9454 7.9934 4.0500 7.1688 3.6977 7.8651 4.2575 5.6296 5.8072 4.2635 4.6704 11.7041 4.0240 5.2733 6.2308 3.0200 2.9731 2.9654 5.6037 4.9075 4.4591 7.4098 5.3205 3.2682 3.6256 6.3593 4.7066 6.8547 7.3519 4.7727 5.0345 4.7682 6.2915 3.0103 4.5358 2.7884 5.3495 6.1141 3.7331 3.6666 4.9443 5.6389 4.0096 1.2588 1.2452 1.5800 1.6778 3.2252 3.9620 2.0857 1.6621 1.5798 1.3539 1.3510 1.4091 1.4099 2.8159 2.8416 1.8800 3.4566 2.4628 3.2860 3.1780 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