Gaussian 09 GINC-KIMIK2032 CBGUSER 000026649 EM64L-G09RevD.01 28-Apr-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 238.17669999999987 0 1 AuxInfo=1/0/N:12,9,19,7,8,11,14,15,16,17,5,13,6,4,10,18,3,1,2/E:(7,8)(9,10)/CRV:7.3,8.3,9.3,10.3,15.3,16.3/rA:46OONCCCCCCC3CCCC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s4;s3;s5;s4;s6;s8;s7;s1s11;s10;s10;s14;s15;s2s16s17;s2;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s9;s11;s11;s12;s12;s12;s13;s13;s14;s15;s16;s17;s1;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-30638.inp" -scrdir="/scratch/" chk=000026649.chk nprocshared=4 mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-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=-1,14=-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=-1,14=-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 000026649 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 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 14 14 15 15 16 16 17 17 19 19 19 13 43 18 19 4 5 7 6 9 20 8 21 22 10 23 24 12 25 26 11 27 28 29 30 31 14 15 13 32 33 34 35 36 37 38 16 39 17 40 18 41 18 42 44 45 46 1.4214 0.9724 1.3611 1.4268 1.464 1.4583 1.4638 1.5396 1.5287 1.0952 1.5277 1.0946 1.0951 1.51 1.0997 1.0981 1.5192 1.095 1.0951 1.5277 1.0944 1.0971 1.0974 1.094 1.0921 1.3855 1.3856 1.523 1.0973 1.0971 1.0957 1.0943 1.0964 1.0947 1.0944 1.3948 1.0862 1.3947 1.0863 1.3949 1.0865 1.3949 1.0846 1.0952 1.095 1.0954 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 13 18 4 4 5 3 3 3 6 6 9 3 3 3 8 8 21 4 4 4 10 10 23 3 3 3 12 12 25 5 5 5 11 11 27 4 4 4 29 29 30 6 6 14 8 8 8 13 13 32 7 7 7 34 34 35 1 1 1 11 11 37 10 10 16 10 10 17 14 14 18 15 15 18 2 2 16 2 2 2 44 44 45 1 2 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 43 19 5 7 7 6 9 20 9 20 20 8 21 22 21 22 22 10 23 24 23 24 24 12 25 26 25 26 26 11 27 28 27 28 28 29 30 31 30 31 31 14 15 15 13 32 33 32 33 33 34 35 36 35 36 36 11 37 38 37 38 38 16 39 39 17 40 40 18 41 41 18 42 42 16 17 17 44 45 46 45 46 46 107.5328 117.0747 110.6027 110.2949 110.6106 109.5205 108.3401 110.5539 112.5332 106.5395 109.3587 110.3298 111.8412 113.2518 106.2477 107.1186 107.6955 113.6027 110.2264 111.641 107.3104 107.9975 105.6644 111.1844 115.3437 109.1627 111.589 103.0274 105.6134 111.1921 111.9207 110.263 105.853 109.7267 107.735 108.5368 114.1322 115.1606 104.9722 103.8609 109.1694 119.3373 119.318 121.3447 111.6528 110.3007 110.2954 109.2569 109.2999 105.8625 111.9658 112.6858 109.4762 109.0736 107.0068 106.3253 109.8232 108.4325 107.9281 111.432 110.8531 108.2678 119.3258 121.3119 119.3619 119.3308 121.161 119.508 120.0038 119.6692 120.327 120.0017 116.1735 123.8248 119.9639 120.0428 119.9933 111.5513 107.1763 111.5477 106.9771 112.2622 106.9737 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 43 43 43 19 19 18 18 18 5 5 5 7 7 7 4 4 4 7 7 7 4 4 4 5 5 5 3 3 3 9 9 9 20 20 20 3 3 3 6 6 6 20 20 20 3 3 3 21 21 21 22 22 22 4 4 23 23 24 24 3 3 3 25 25 25 26 26 26 5 5 5 27 27 27 28 28 28 6 6 15 15 6 6 14 14 8 8 8 32 32 32 33 33 33 10 10 39 39 10 10 40 40 14 14 41 41 15 15 42 42 1 1 1 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 13 13 13 18 18 19 19 19 4 4 4 4 4 4 5 5 5 5 5 5 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 14 14 14 14 15 15 15 15 13 13 13 13 13 13 13 13 13 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 11 37 38 16 17 44 45 46 6 9 20 6 9 20 8 21 22 8 21 22 12 25 26 12 25 26 10 23 24 10 23 24 10 23 24 29 30 31 29 30 31 29 30 31 11 27 28 11 27 28 11 27 28 14 15 14 15 14 15 34 35 36 34 35 36 34 35 36 13 32 33 13 32 33 13 32 33 16 39 16 39 17 40 17 40 1 37 38 1 37 38 1 37 38 18 41 18 41 18 42 18 42 2 17 2 17 2 16 2 16 -60.0946 61.8811 178.9525 -179.9907 0.0462 63.1822 179.9689 -63.2506 -60.3987 62.6853 -177.4959 176.9189 -59.997 59.8217 177.4993 59.4682 -62.4446 -60.0026 -178.0337 60.0536 -57.3171 71.0134 -170.3099 -179.9948 -51.6643 67.0124 -158.3169 -37.8496 79.2637 81.1174 -158.4154 -41.3021 -38.7225 81.7448 -161.1419 174.0148 -69.3186 58.1235 -64.7431 51.9235 179.3656 53.4501 170.1167 -62.4412 -179.6362 62.21 -57.696 -58.2214 -176.3752 63.7189 56.6788 -61.475 178.6191 -90.0412 90.0043 147.8605 -32.094 34.369 -145.5854 -45.7456 77.6562 -164.2456 -176.0662 -52.6644 65.4337 71.0631 -165.5351 -47.4369 -178.2754 -56.5935 59.9917 -56.5175 65.1644 -178.2504 59.4733 -178.8448 -62.2596 -179.9538 -0.2094 -0.0003 179.7441 179.9582 -0.2168 0.0047 179.8297 -179.1743 60.6554 -60.0002 58.5427 -61.6276 177.7168 -56.8683 -177.0387 62.3057 -0.0096 179.9545 -179.759 0.2051 0.0007 179.9443 -179.8272 0.1164 -179.9481 0.015 0.088 -179.9489 179.9526 -0.0105 0.0135 -179.9496 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 249 276 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= 14196 NPrTT= 70605 LenC2= 11876 LenP2D= 37133. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 244 RedAO= T EigKep= 6.23D-04 NBF= 244 NBsUse= 244 1.00D-06 EigRej= -1.00D+00 NBFU= 244 Using GEDIIS/GDIIS optimizer. local minimum Step number 18 out of a maximum of 249 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00104 0.00159 0.00230 0.00285 0.00400 0.00427 0.00466 0.00540 0.00607 0.01026 0.01339 0.01390 0.01605 0.02156 0.02157 0.02161 0.02167 0.02186 0.02198 0.02220 0.02235 0.02252 0.02415 0.03577 0.03609 0.03997 0.04083 0.04482 0.04594 0.04803 0.04879 0.04922 0.05130 0.05333 0.05526 0.05571 0.05583 0.05621 0.05715 0.05747 0.05797 0.06166 0.08301 0.08377 0.09217 0.09511 0.09686 0.09973 0.10691 0.11814 0.12111 0.12238 0.12838 0.13003 0.13040 0.14025 0.15321 0.15794 0.15935 0.15977 0.15995 0.15998 0.16001 0.16006 0.16009 0.16010 0.16026 0.16040 0.16075 0.16428 0.18779 0.19296 0.20693 0.20942 0.21618 0.21964 0.21973 0.22240 0.22469 0.22772 0.24089 0.24462 0.24726 0.26302 0.28015 0.28704 0.29342 0.29697 0.29941 0.30063 0.30408 0.31132 0.33006 0.33168 0.33720 0.33867 0.33937 0.34007 0.34009 0.34033 0.34108 0.34171 0.34180 0.34205 0.34221 0.34242 0.34270 0.34294 0.34309 0.34337 0.34376 0.34486 0.34544 0.34592 0.35185 0.35205 0.35260 0.35356 0.36059 0.37890 0.39160 0.41530 0.41995 0.42415 0.43035 0.44773 0.46419 0.46946 0.47890 0.48499 0.52601 0.53182 RFO step: Lambda=-1.79665186D-08. 1 2 3 0.00167609 0.00000114 0.00000000 0.00000079 0.00000007 0.00000007 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 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 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 2.78434 1.87234 2.65785 2.76544 2.82741 2.80515 2.80875 2.95107 2.93578 2.09268 2.92191 2.08959 2.11516 2.87536 2.09043 2.09321 2.91389 2.11467 2.08990 2.92103 2.09606 2.09221 2.08653 2.09043 2.08980 2.68574 2.67694 2.90866 2.10118 2.09382 2.08636 2.08845 2.09078 2.10232 2.08496 2.65982 2.07300 2.67185 2.07416 2.67753 2.06813 2.67774 2.06793 2.09350 2.07877 2.09363 1.89593 2.04891 2.01288 1.98756 1.97489 1.92478 1.99716 1.84625 1.95534 1.85214 1.87831 1.96368 1.89731 1.95659 1.88605 1.90314 1.85246 1.97906 1.85709 1.91089 1.93051 1.91300 1.86956 1.97647 1.95321 1.87581 1.91131 1.88958 1.85181 1.96143 1.91528 1.89064 1.91291 1.92485 1.85565 1.92863 1.94236 1.93995 1.88110 1.88326 1.88628 2.12423 2.10605 2.05276 1.96318 1.91029 1.92264 1.90793 1.89452 1.86248 1.92087 1.95508 1.92763 1.88430 1.89892 1.87536 1.96983 1.93259 1.81755 1.92226 1.92991 1.88776 2.12143 2.08202 2.07973 2.12691 2.08084 2.07538 2.09072 2.12198 2.07048 2.08203 2.08694 2.11418 2.01415 2.17653 2.09249 1.94455 1.83558 1.94443 1.91354 1.91065 1.91372 -1.02855 1.13550 -3.12241 -3.13999 -0.00316 1.07430 -3.13701 -1.06498 -1.26653 0.95670 3.02117 2.69089 -1.36907 0.69540 2.54180 0.45353 -1.58882 -1.40979 2.78512 0.74277 -1.29846 0.87219 2.89861 2.64110 -1.47144 0.55498 -2.91218 -0.78615 1.22872 1.12483 -3.03233 -1.01745 -0.92043 1.20560 -3.06271 3.04437 -1.14952 0.95392 -1.03133 1.05797 -3.12178 0.99817 3.08747 -1.09227 3.10804 0.97486 -1.04413 -1.08035 3.06967 1.05067 0.92593 -1.20725 3.05694 -1.77534 1.34808 2.42334 -0.73642 0.36577 -2.79400 -0.99535 1.10110 -3.09235 3.09457 -1.09216 0.99758 1.08286 -3.10387 -1.01413 3.12246 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0.00000 0.00000 0.00000 0.00001 0.00003 0.00007 -0.00002 -0.00002 -0.00007 -0.00004 -0.00007 0.00002 0.00005 0.00006 -0.00002 0.00006 -0.00008 0.00002 0.00000 0.00001 0.00000 -0.00002 0.00002 -0.00001 -0.00001 -0.00012 0.00008 -0.00008 0.00009 0.00004 -0.00001 -0.00005 0.00004 0.00000 0.00000 0.00003 -0.00002 0.00001 0.00001 0.00000 -0.00005 0.00005 0.00000 0.00001 -0.00001 -0.00002 0.00006 -0.00004 -0.00001 0.00000 0.00001 -0.00001 0.00001 0.00001 0.00002 -0.00003 0.00000 0.00030 0.00026 0.00028 0.00018 0.00019 -0.00017 -0.00015 -0.00013 -0.00041 -0.00055 -0.00043 -0.00076 -0.00091 -0.00079 0.00080 0.00089 0.00089 0.00096 0.00105 0.00105 -0.00180 -0.00189 -0.00179 -0.00199 -0.00208 -0.00198 0.00054 0.00047 0.00057 0.00062 0.00055 0.00065 0.00060 0.00053 0.00063 0.00046 0.00045 0.00040 0.00040 0.00039 0.00034 0.00036 0.00035 0.00030 -0.00011 -0.00011 -0.00007 -0.00026 -0.00026 -0.00023 -0.00027 -0.00027 -0.00024 -0.00115 -0.00109 -0.00107 -0.00101 -0.00116 -0.00110 -0.00078 -0.00097 -0.00095 -0.00072 -0.00091 -0.00089 -0.00072 -0.00091 -0.00088 -0.00024 -0.00026 -0.00027 -0.00022 -0.00024 -0.00024 -0.00033 -0.00035 -0.00035 0.00009 0.00009 0.00004 0.00003 -0.00007 -0.00008 -0.00001 -0.00002 -0.00002 0.00005 0.00002 -0.00003 0.00005 0.00002 -0.00001 0.00006 0.00003 -0.00002 -0.00001 -0.00002 0.00000 -0.00002 0.00003 -0.00002 0.00003 -0.00001 -0.00001 -0.00002 -0.00003 0.00003 0.00003 -0.00002 -0.00001 2.78431 1.87234 2.65787 2.76545 2.82735 2.80509 2.80871 2.95108 2.93583 2.09271 2.92184 2.08958 2.11518 2.87533 2.09042 2.09320 2.91389 2.11462 2.08985 2.92097 2.09605 2.09223 2.08649 2.09042 2.08977 2.68569 2.67695 2.90867 2.10116 2.09382 2.08634 2.08845 2.09077 2.10230 2.08495 2.65982 2.07300 2.67178 2.07416 2.67751 2.06812 2.67776 2.06792 2.09351 2.07875 2.09362 1.89591 2.04893 2.01285 1.98747 1.97521 1.92482 1.99715 1.84629 1.95521 1.85212 1.87840 1.96373 1.89718 1.95671 1.88603 1.90311 1.85247 1.97895 1.85708 1.91093 1.93051 1.91300 1.86962 1.97631 1.95326 1.87594 1.91130 1.88958 1.85181 1.96144 1.91531 1.89071 1.91288 1.92483 1.85557 1.92859 1.94229 1.93997 1.88115 1.88333 1.88626 2.12429 2.10598 2.05278 1.96318 1.91030 1.92264 1.90791 1.89454 1.86247 1.92087 1.95495 1.92770 1.88422 1.89901 1.87540 1.96982 1.93254 1.81758 1.92226 1.92992 1.88778 2.12142 2.08203 2.07974 2.12692 2.08079 2.07543 2.09072 2.12200 2.07047 2.08201 2.08700 2.11414 2.01415 2.17653 2.09250 1.94454 1.83559 1.94445 1.91356 1.91061 1.91373 -1.02825 1.13576 -3.12213 -3.13981 -0.00297 1.07413 -3.13716 -1.06511 -1.26693 0.95614 3.02074 2.69013 -1.36998 0.69461 2.54260 0.45442 -1.58793 -1.40883 2.78617 0.74383 -1.30026 0.87030 2.89681 2.63911 -1.47352 0.55300 -2.91164 -0.78568 1.22929 1.12545 -3.03177 -1.01680 -0.91983 1.20613 -3.06208 3.04483 -1.14906 0.95432 -1.03093 1.05836 -3.12144 0.99853 3.08783 -1.09198 3.10793 0.97476 -1.04420 -1.08061 3.06940 1.05044 0.92565 -1.20752 3.05670 -1.77649 1.34699 2.42227 -0.73743 0.36461 -2.79509 -0.99613 1.10013 -3.09329 3.09385 -1.09307 0.99669 1.08214 -3.10478 -1.01502 3.12222 -1.03652 1.00612 -1.02642 1.09803 3.14066 1.01064 3.13509 -1.10546 3.11922 -0.02525 -0.00479 3.13392 -3.11854 0.03406 0.00566 -3.12492 -3.10993 1.00360 -1.08191 1.04744 -1.12221 3.07547 -0.97785 3.13568 1.05018 -0.00003 3.13778 -3.13874 -0.00094 -0.00169 -3.13549 3.12892 -0.00488 3.14125 0.00416 0.00333 -3.13375 -3.13996 -0.00331 -0.00629 3.13036 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000022 0.000006 0.008990 0.001676 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -6.087775e-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 1 1 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 14 14 15 15 16 16 17 17 19 19 19 13 43 18 19 4 5 7 6 9 20 8 21 22 10 23 24 12 25 26 11 27 28 29 30 31 14 15 13 32 33 34 35 36 37 38 16 39 17 40 18 41 18 42 44 45 46 1.4734 0.9908 1.4065 1.4634 1.4962 1.4844 1.4863 1.5616 1.5535 1.1074 1.5462 1.1058 1.1193 1.5216 1.1062 1.1077 1.542 1.119 1.1059 1.5457 1.1092 1.1072 1.1041 1.1062 1.1059 1.4212 1.4166 1.5392 1.1119 1.108 1.1041 1.1052 1.1064 1.1125 1.1033 1.4075 1.097 1.4139 1.0976 1.4169 1.0944 1.417 1.0943 1.1078 1.1 1.1079 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 13 18 4 4 5 3 3 3 6 6 9 3 3 3 8 8 21 4 4 4 10 10 23 3 3 3 12 12 25 5 5 5 11 11 27 4 4 4 29 29 30 6 6 14 8 8 8 13 13 32 7 7 7 34 34 35 1 1 1 11 11 37 10 10 16 10 10 17 14 14 18 15 15 18 2 2 16 2 2 2 44 44 45 1 2 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 43 19 5 7 7 6 9 20 9 20 20 8 21 22 21 22 22 10 23 24 23 24 24 12 25 26 25 26 26 11 27 28 27 28 28 29 30 31 30 31 31 14 15 15 13 32 33 32 33 33 34 35 36 35 36 36 11 37 38 37 38 38 16 39 39 17 40 40 18 41 41 18 42 42 16 17 17 44 45 46 45 46 46 108.6288 117.3937 115.3295 113.8788 113.153 110.2816 114.4291 105.7824 112.0329 106.1196 107.6195 112.5105 108.7081 112.1042 108.0625 109.0419 106.1379 113.3916 106.4036 109.4857 110.6099 109.6068 107.1176 113.2432 111.9108 107.476 109.5099 108.2648 106.1008 112.3815 109.7375 108.3258 109.6015 110.2858 106.3207 110.5025 111.289 111.151 107.7791 107.9031 108.076 121.7095 120.668 117.6146 112.4819 109.4515 110.1593 109.3162 108.5481 106.7122 110.058 112.0177 110.4449 107.9624 108.8001 107.4499 112.8627 110.7295 104.1377 110.1376 110.576 108.1606 121.5492 119.2909 119.1596 121.8631 119.2236 118.9104 119.7894 121.5807 118.6296 119.2917 119.5731 121.1337 115.4025 124.706 119.891 111.4144 105.171 111.4079 109.6376 109.472 109.6482 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 43 43 43 19 19 18 18 18 5 5 5 7 7 7 4 4 4 7 7 7 4 4 4 5 5 5 3 3 3 9 9 9 20 20 20 3 3 3 6 6 6 20 20 20 3 3 3 21 21 21 22 22 22 4 4 23 23 24 24 3 3 3 25 25 25 26 26 26 5 5 5 27 27 27 28 28 28 6 6 15 15 6 6 14 14 8 8 8 32 32 32 33 33 33 10 10 39 39 10 10 40 40 14 14 41 41 15 15 42 1 1 1 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 13 13 13 18 18 19 19 19 4 4 4 4 4 4 5 5 5 5 5 5 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 14 14 14 14 15 15 15 15 13 13 13 13 13 13 13 13 13 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 11 37 38 16 17 44 45 46 6 9 20 6 9 20 8 21 22 8 21 22 12 25 26 12 25 26 10 23 24 10 23 24 10 23 24 29 30 31 29 30 31 29 30 31 11 27 28 11 27 28 11 27 28 14 15 14 15 14 15 34 35 36 34 35 36 34 35 36 13 32 33 13 32 33 13 32 33 16 39 16 39 17 40 17 40 1 37 38 1 37 38 1 37 38 18 41 18 41 18 42 18 42 2 17 2 17 2 16 2 -58.9319 65.0594 -178.901 -179.9085 -0.1809 61.5531 -179.7375 -61.0189 -72.5668 54.8147 173.1003 154.1764 -78.4421 39.8434 145.6345 25.9853 -91.0327 -80.775 159.5758 42.5578 -74.396 49.9728 166.0779 151.3239 -84.3072 31.7979 -166.8556 -45.0432 70.4008 64.4481 -173.7395 -58.2955 -52.7368 69.0756 -175.4804 174.4295 -65.8624 54.6557 -59.0908 60.6173 -178.8645 57.191 176.8991 -62.5827 178.0774 55.8556 -59.8243 -61.8993 175.8789 60.199 53.0517 -69.1701 175.15 -101.7196 77.2391 138.8473 -42.1939 20.9571 -160.0841 -57.0294 63.0885 -177.1785 177.306 -62.5761 57.157 62.0434 -177.8387 -58.1056 178.904 -59.3731 57.6615 -58.7972 62.9257 179.9603 57.9245 179.6474 -63.3181 178.713 -1.452 -0.2763 179.5588 -178.6752 1.9561 0.3251 -179.0436 -178.1847 57.499 -61.9897 60.0155 -64.3008 176.2105 -56.0258 179.6578 60.1691 -0.0004 179.7816 -179.8356 -0.0536 -0.096 -179.6519 179.2747 -0.2812 179.9808 0.2392 0.1924 -179.5493 -179.9079 -0.1918 -0.3591 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 238.17669999999987 AuxInfo=1/0/N:12,9,19,7,8,11,14,15,16,17,5,13,6,4,10,18,3,1,2/E:(7,8)(9,10)/CRV:7.3,8.3,9.3,10.3,15.3,16.3/rA:46OONCCCCCCC3CCCC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s4;s3;s5;s4;s6;s8;s7;s1s11;s10;s10;s14;s15;s2s16s17;s2;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s9;s11;s11;s12;s12;s12;s13;s13;s14;s15;s16;s17;s1;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 13.047137 0.000000 6.177842 7.764114 0.000000 7.332973 6.415868 1.464018 0.000000 4.930901 8.469292 1.458336 2.402637 0.000000 7.494284 5.642039 2.453552 1.539569 2.867110 0.000000 6.483219 8.656511 1.463789 2.402633 2.402564 3.761682 0.000000 3.768246 9.870959 2.451240 3.758165 1.527679 4.241927 2.870292 0.000000 7.533868 6.760050 2.426645 1.528675 2.862474 2.551653 2.830905 4.264214 0.000000 8.969605 4.132021 3.781757 2.551877 4.356343 1.510018 4.916985 5.745935 3.279900 0.000000 2.410016 10.766533 3.805953 4.923036 2.520948 5.159217 4.275447 1.527739 5.192861 6.654228 0.000000 7.908791 8.325600 2.461265 2.853893 3.757422 4.249136 1.519189 4.263280 3.426837 5.052892 5.732131 0.000000 1.421406 12.173846 4.975006 6.241850 3.878541 6.546116 5.201124 2.523997 6.572572 8.050376 1.522999 6.576500 0.000000 9.598822 3.658310 4.712027 3.364679 5.095017 2.499960 5.748810 6.579959 3.499310 1.385490 7.325422 5.947184 8.798910 0.000000 9.822926 3.658788 4.442477 3.364183 5.249365 2.499817 5.496444 6.490592 4.356775 1.385611 7.527223 5.320695 8.821585 2.415937 0.000000 10.978011 2.386374 5.983354 4.592886 6.468548 3.781654 6.946969 7.944646 4.702948 2.399626 8.713217 6.944525 10.180704 1.394847 2.789616 0.000000 11.174427 2.387290 5.773386 4.592451 6.590740 3.781525 6.739520 7.870713 5.371530 2.399704 8.883483 6.416061 10.200236 2.789731 1.394746 2.415966 0.000000 11.699776 1.361054 6.431620 5.097049 7.112153 4.280985 7.378825 8.511470 5.515630 2.770967 9.410071 7.150166 10.814855 2.416059 2.415914 1.394924 1.394887 0.000000 13.833395 1.426797 8.422644 7.164896 9.251496 6.418978 9.281844 10.567865 7.711012 4.947841 11.553684 8.787305 12.894025 4.793365 4.104052 3.670664 2.709540 2.378230 0.000000 8.250627 6.021969 2.113888 1.095151 3.359964 2.128284 2.659479 4.560126 2.155479 2.604170 5.852288 2.474167 7.081941 3.511216 3.025157 4.511923 4.144839 4.773173 6.629848 0.000000 4.997218 8.080248 2.124266 2.676449 1.094556 2.499269 3.370474 2.113657 3.280937 3.976151 2.692692 4.579750 4.115000 4.706229 4.894425 6.076728 6.223568 6.724600 8.873950 3.673342 0.000000 4.990734 8.694727 2.141733 2.720780 1.095133 3.315809 2.702182 2.125564 2.548293 4.695189 2.693982 4.116515 4.103420 5.164673 5.765406 6.544351 7.028062 7.361361 9.602008 3.734428 1.768070 0.000000 7.248307 6.060752 2.554081 2.179542 2.952710 1.099732 3.954550 4.052724 3.470771 2.116080 4.999447 4.422670 6.264600 3.322533 2.596450 4.472314 3.962782 4.725980 6.653520 2.614516 2.437643 3.696523 0.000000 7.007471 6.071660 2.888640 2.196164 2.742002 1.098125 4.218861 4.145667 2.696824 2.123844 4.760056 4.985842 6.225044 2.618891 3.319923 3.981903 4.474223 4.736742 6.990385 3.043536 2.129523 2.980470 1.751405 0.000000 6.486705 9.017370 2.171150 2.817033 2.673767 4.232426 1.095000 3.188839 2.625104 5.351571 4.357926 2.175115 5.312360 5.958120 6.108668 7.166468 7.292015 7.758598 9.761099 3.196770 3.713101 2.512585 4.635070 4.504937 0.000000 5.954101 9.598126 2.096280 3.345113 2.700043 4.539234 1.095130 2.537886 3.864288 5.788272 3.957658 2.063323 4.597812 6.706190 6.286760 7.927042 7.575408 8.309369 10.159009 3.609659 3.684944 3.127594 4.522763 4.947948 1.744658 0.000000 3.992282 10.459832 2.752068 4.121252 2.186249 4.920860 2.571224 1.094357 4.457479 6.385539 2.108322 3.949545 2.678316 7.197774 7.107675 8.547074 8.471249 9.112129 11.146836 4.803386 3.048457 2.492481 4.832048 4.924140 2.729568 1.977554 0.000000 4.065867 9.906923 2.693295 4.045796 2.167565 4.371287 3.225349 1.097100 4.876047 5.832876 2.160807 4.380497 2.763477 6.836195 6.372232 8.151960 7.766919 8.558730 10.475529 4.703081 2.471245 3.046516 3.912298 4.431659 3.832324 2.743405 1.769943 0.000000 8.547325 5.955739 3.369991 2.146556 3.878008 2.816180 3.784904 5.326148 1.097377 3.010032 6.215964 4.078590 7.628902 2.884870 4.087505 3.913551 4.868328 4.796361 6.982616 2.426899 4.131457 3.567738 3.862041 2.996959 3.589439 4.857079 5.552701 5.890865 0.000000 6.936234 7.227336 2.808007 2.213827 2.656026 2.802104 3.361419 4.058654 1.093963 3.672823 4.688328 4.277446 6.132945 3.709322 4.917416 4.991566 5.944494 5.975398 8.278391 3.093130 2.937513 2.038982 3.705932 2.497516 3.014126 4.254967 4.353838 4.814021 1.738185 0.000000 7.695394 7.525518 2.734563 2.224660 3.271489 3.533019 2.534121 4.442383 1.092103 4.249315 5.429241 3.026754 6.684802 4.474266 5.196227 5.578527 6.172578 6.337267 8.431879 2.578838 3.956371 2.843755 4.351425 3.746488 2.016512 3.557432 4.363666 5.121760 1.723700 1.781586 0.000000 2.649097 10.888584 4.099875 5.052497 2.743872 5.382485 4.444105 2.168251 4.991337 6.834439 1.097306 5.959169 2.150801 7.323198 7.850097 8.715512 9.162630 9.545910 11.780984 6.040118 3.016667 2.456203 5.438659 4.862412 4.256366 4.270615 2.475856 3.073039 5.985284 4.334810 5.154275 0.000000 2.636733 10.440862 4.113733 5.057024 2.770528 4.957820 4.891699 2.168031 5.427315 6.398355 1.097104 6.300897 2.151201 7.044000 7.269862 8.406628 8.596712 9.100354 11.231344 6.028852 2.484152 3.048637 4.711779 4.431747 5.068161 4.699810 3.033878 2.515559 6.364441 4.849168 5.861131 1.750947 0.000000 8.153751 8.088781 2.646047 3.050074 4.034625 4.180881 2.180325 4.470151 4.017870 4.906155 5.992293 1.095714 6.785562 5.980977 4.917932 6.914451 6.018497 6.930718 8.400455 2.505708 4.689481 4.630711 4.119121 5.052046 3.093815 2.490349 4.312766 4.321567 4.605869 4.876348 3.858248 6.393027 6.450528 0.000000 8.660960 7.642988 2.897400 2.730078 4.206218 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0.23402 0.51684 0.26153 1.3853 2.1483 -0.5538 2.6155 -123.1827 -122.9797 -111.5757 -8.0285 21.5896 4.3393 -3.9367 -3.7337 7.6703 -8.0285 21.5896 4.3393 274.4328 4.4968 5.6461 36.9460 108.7051 -5.7493 18.3862 -14.4488 -9.3283 -18.4755 -11562.7240 -1423.4580 -639.2272 -591.1593 988.4786 -110.2226 15.2371 -41.1299 11.5782 -2359.1356 -1763.0146 -332.4467 186.6150 40.7856 15.9340 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 238.17669999999987 AuxInfo=1/0/N:12,9,19,7,8,11,14,15,16,17,5,13,6,4,10,18,3,1,2/E:(7,8)(9,10)/CRV:7.3,8.3,9.3,10.3,15.3,16.3/rA:46OONCCCCCCC3CCCC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s4;s3;s5;s4;s6;s8;s7;s1s11;s10;s10;s14;s15;s2s16s17;s2;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s9;s11;s11;s12;s12;s12;s13;s13;s14;s15;s16;s17;s1;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 13.137990 0.000000 6.362091 7.976810 0.000000 7.509795 6.544294 1.496200 0.000000 5.078849 8.779082 1.484423 2.518435 0.000000 7.572168 5.779556 2.509415 1.561638 3.148172 0.000000 6.929707 8.835973 1.486328 2.499644 2.479454 3.813426 0.000000 3.881259 9.915649 2.520265 3.799693 1.546208 4.141691 3.218996 0.000000 7.972198 6.542882 2.564123 1.553547 3.050831 2.583109 3.253788 4.572952 0.000000 9.013200 4.258363 3.865598 2.576944 4.602102 1.521577 4.983159 5.661824 3.137450 0.000000 2.510440 10.922898 3.892046 5.027725 2.569085 5.256674 4.564653 1.545742 5.502275 6.733516 0.000000 8.002491 8.797524 2.528975 3.182621 3.799700 4.294788 1.541962 4.282388 4.209034 5.240541 5.752562 0.000000 1.473409 12.114201 5.084801 6.314544 3.943094 6.426183 5.629092 2.564765 6.955520 7.910650 1.539198 6.606074 0.000000 9.528718 3.688608 4.875549 3.544593 5.335941 2.570680 6.043066 6.483414 3.545224 1.421234 7.333187 6.488779 8.581650 0.000000 10.056358 3.764890 4.545357 3.312185 5.567789 2.553563 5.405033 6.537211 4.043674 1.416575 7.765695 5.257508 8.854394 2.427549 0.000000 10.918448 2.386518 6.157088 4.752710 6.712848 3.868508 7.218897 7.876046 4.646758 2.468678 8.740240 7.517779 9.980701 1.407519 2.814863 0.000000 11.393221 2.501100 5.903248 4.587066 6.907252 3.864611 6.694628 7.927822 5.046893 2.473931 9.116641 6.479520 10.225422 2.822339 1.413881 2.452870 0.000000 11.783316 1.406471 6.594450 5.181640 7.398573 4.376493 7.503026 8.515513 5.297537 2.855141 9.547493 7.515080 10.732290 2.443413 2.442819 1.416889 1.416999 0.000000 14.137850 1.463406 8.723373 7.334400 9.684429 6.649807 9.444412 10.769810 7.481565 5.159091 11.891898 9.175861 13.031172 4.894434 4.302498 3.724982 2.889709 2.452289 0.000000 8.391702 6.299328 2.089555 1.107397 3.419296 2.150657 2.552301 4.566455 2.163641 2.720220 5.918306 2.703183 7.120495 3.858904 2.957992 4.854756 4.173667 4.984179 6.897095 0.000000 5.199311 8.217094 2.116410 2.554576 1.105766 2.723938 3.394199 2.161875 2.911059 4.103396 2.805569 4.628921 4.221497 4.624720 5.258486 6.025023 6.535817 6.857378 9.231624 3.619632 0.000000 5.168775 9.337503 2.169504 3.071727 1.119292 3.973452 2.656197 2.184688 3.106287 5.313410 2.755747 4.165969 4.208132 5.907377 6.307539 7.247650 7.587069 7.995122 10.280523 3.927645 1.778640 0.000000 7.380338 6.273536 2.591524 2.153628 3.324462 1.106210 3.835203 3.942745 3.503448 2.173447 5.176911 4.058782 6.141805 3.388817 2.760922 4.579062 4.138961 4.880510 6.990395 2.492077 3.082078 4.320403 0.000000 6.920708 6.231718 2.842219 2.195379 2.922776 1.107680 4.288579 3.865947 2.811316 2.161777 4.708811 5.040243 5.914162 2.676844 3.436076 4.073827 4.620574 4.870906 7.257397 3.073831 2.152181 3.721772 1.781002 0.000000 7.530240 8.832700 2.168579 2.724070 2.974490 4.239198 1.119033 3.982822 2.935834 5.234593 5.146809 2.186873 6.337003 6.141678 5.681844 7.243456 6.859616 7.560536 9.467057 2.727455 3.787850 2.777812 4.510326 4.692769 0.000000 6.211578 9.870744 2.102265 3.415042 2.509655 4.598633 1.105928 2.796882 4.091041 5.898720 4.012900 2.160935 4.929909 6.928242 6.395692 8.167196 7.722271 8.518582 10.506341 3.619582 3.588438 2.529090 4.524090 4.902398 1.778128 0.000000 4.183908 10.534948 2.749365 4.210482 2.186191 4.792395 2.919425 1.109188 5.044513 6.297646 2.184027 3.832634 2.803018 7.244800 7.013170 8.608670 8.419558 9.131438 11.291654 4.778436 3.083611 2.578666 4.502345 4.717990 3.747548 2.195762 0.000000 4.171776 9.570377 2.756953 3.874911 2.166344 3.849195 3.663064 1.107151 4.907643 5.339106 2.191295 4.430366 2.806012 6.235631 6.135904 7.603073 7.527791 8.171344 10.376739 4.577842 2.473147 3.089570 3.403823 3.605327 4.574819 3.421062 1.773774 0.000000 8.961724 5.610150 3.504061 2.198690 4.091300 2.829882 4.169385 5.589374 1.104146 2.802099 6.515232 4.890597 7.963035 2.950292 3.607604 3.826854 4.363824 4.452164 6.572721 2.485648 3.814333 4.196446 3.843826 3.153885 3.805852 5.093910 6.092131 5.817691 0.000000 7.358652 6.982192 2.897416 2.210229 2.820209 2.854908 3.788976 4.330735 1.106208 3.538843 4.983561 4.964262 6.490058 3.669674 4.691069 4.860725 5.684871 5.751977 8.061230 3.097541 2.402073 2.759173 3.811989 2.633212 3.535608 4.415349 4.972803 4.736427 1.785706 0.000000 8.205515 7.318227 2.811723 2.208231 3.325661 3.547982 2.981684 4.824209 1.105874 4.130852 5.741917 3.990291 7.192984 4.581168 4.856472 5.582311 5.817841 6.132754 8.170051 2.531626 3.484861 3.076309 4.341612 3.832900 2.310770 3.771197 5.098505 5.336671 1.786845 1.790473 0.000000 2.769115 11.384748 4.177268 5.315284 2.808895 5.793166 4.613375 2.184104 5.536988 7.244101 1.111894 5.938642 2.176615 7.781026 8.303187 9.177671 9.635430 10.023684 12.380132 6.199889 3.170445 2.531050 5.860600 5.267554 4.991261 3.966270 2.535604 3.105565 6.587634 4.974837 5.593772 0.000000 2.724811 10.510486 4.198188 5.069070 2.804822 5.053463 5.133873 2.190315 5.425907 6.440728 1.108003 6.359847 2.163747 6.860812 7.591462 8.251585 8.881162 9.169840 11.565390 6.063988 2.587580 3.059249 5.078881 4.308153 5.655944 4.771272 3.104188 2.555979 6.347850 4.748192 5.825945 1.781159 0.000000 7.686025 9.049725 2.772191 3.583882 3.939939 4.365233 2.182737 4.072915 4.854247 5.388885 5.584514 1.104056 6.235871 6.718947 5.359518 7.778212 6.632989 7.742902 9.392514 3.200793 4.742497 4.517327 3.856173 5.083972 3.104437 2.509506 3.579913 3.993368 5.547020 5.514432 4.821390 5.941900 6.218155 0.000000 8.826694 7.892109 2.848549 2.950745 4.289106 3.996936 2.208336 4.996698 3.958302 4.654364 6.488235 1.105159 7.434906 5.914500 4.465574 6.805025 5.583765 6.664262 8.190247 2.134615 4.933421 4.704674 3.843006 4.905296 2.568216 3.099423 4.724019 5.043406 4.413920 4.875253 3.819373 6.714499 6.962439 1.786866 0.000000 8.533383 9.651656 3.477532 4.163854 4.607476 5.370557 2.189428 5.003451 4.991100 6.267534 6.389727 1.106392 7.165232 7.487594 6.216496 8.470132 7.363906 8.416729 9.956870 3.641689 5.526380 4.784340 5.164826 6.100783 2.510207 2.490582 4.370967 5.266205 5.662469 5.758914 4.565201 6.446791 7.103548 1.797318 1.782922 0.000000 2.137515 12.634223 5.213145 6.581622 4.248488 6.870847 5.476129 2.800776 7.290786 8.384980 2.187653 6.332015 1.112498 9.179656 9.217256 10.577612 10.617483 11.235119 13.472631 7.269032 4.771940 4.444305 6.518068 6.510720 6.208546 4.628471 2.579959 3.126922 8.339742 6.952460 7.398648 2.546672 3.092379 5.928823 7.262989 6.747878 0.000000 2.045082 11.868314 5.262038 6.409358 4.264180 6.282863 5.958951 2.839312 7.218235 7.721958 2.186344 6.777918 1.103311 8.423043 8.610785 9.794096 9.964580 10.497914 12.750222 7.185558 4.412981 4.773129 5.858991 5.774680 6.783726 5.373823 3.187271 2.631048 8.162045 6.793533 7.588227 3.097873 2.507313 6.263347 7.539524 7.427997 1.794459 0.000000 8.947942 4.551400 4.885145 3.693631 5.039334 2.778432 6.141560 6.193435 3.452712 2.179177 6.840250 6.825117 8.127681 1.096984 3.424677 2.165437 3.919286 3.433175 5.854244 4.276220 4.180451 5.522457 3.693796 2.448268 6.206393 6.922585 7.054838 6.031049 3.005906 3.240619 4.513814 7.240115 6.253323 7.072589 6.393324 7.824954 8.812158 8.021754 0.000000 9.925599 4.661635 4.282392 3.290540 5.471577 2.751276 4.972027 6.294691 4.327537 2.174765 7.646220 4.559995 8.634230 3.425527 1.097598 3.912372 2.168930 3.432622 4.954402 2.711416 5.355653 6.266831 2.596403 3.779646 5.373512 5.941195 6.625175 5.845149 4.096997 5.079458 5.008252 8.212757 7.613718 4.551978 3.748987 5.493121 8.882202 8.368946 4.336596 0.000000 11.442937 2.563413 7.006215 5.615010 7.420048 4.758109 8.093134 8.607525 5.298791 3.466457 9.341356 8.495637 10.606791 2.189122 3.909098 1.094410 3.435261 2.165938 4.023337 5.806676 6.646787 7.876983 5.526013 4.783511 8.050345 9.014431 9.400179 8.376372 4.437039 5.360801 6.211038 9.737706 8.761370 8.790865 7.806909 9.436977 11.269675 10.440348 2.515289 5.006528 0.000000 12.201134 2.792244 6.576853 5.338664 7.698555 4.726614 7.220103 8.657507 5.890717 3.455843 9.924988 6.783399 10.977078 3.916472 2.173423 3.452199 1.094304 2.192910 2.587263 4.751567 7.423857 8.394229 4.843072 5.570118 7.402943 8.258192 9.056780 8.220937 5.227077 6.622204 6.561821 10.459059 9.759780 6.898638 5.815464 7.587936 11.299880 10.687513 5.013434 2.484601 4.346833 0.000000 0.990800 13.480605 6.514329 7.678723 5.178221 7.906613 6.954125 4.128335 7.987648 9.354335 2.687159 8.121368 2.021207 9.834171 10.429212 11.229035 11.765564 12.127715 14.505670 8.567851 5.368907 5.052238 7.816305 7.261266 7.432786 6.179156 4.343092 4.645063 9.003933 7.344803 8.108935 2.526542 2.992127 7.919474 8.975722 8.571538 2.430782 2.876794 9.216172 10.319110 11.728412 12.591676 0.000000 14.043152 2.133707 8.767785 7.464847 9.751910 6.648551 9.524221 10.712104 7.826571 5.213032 11.865457 9.157066 12.908154 5.126045 4.230239 4.095527 2.878293 2.778738 1.107835 7.012290 9.313402 10.446830 6.820257 7.282100 9.672135 10.557021 11.220210 10.216243 7.016307 8.409939 8.566361 12.438262 11.554358 9.246138 8.194087 9.967229 13.337413 12.543121 6.125434 4.746790 4.520486 2.380600 14.477298 0.000000 15.093848 2.047976 9.751570 8.337687 10.671827 7.649454 10.479239 11.784689 8.381227 6.140085 12.865119 10.240103 14.023156 5.719308 5.369363 4.434307 3.962901 3.330245 1.100035 7.929283 10.177901 11.236266 8.030957 8.194921 10.457535 11.545438 12.333707 11.402751 7.422840 8.915725 9.056851 13.338318 12.495593 10.480898 9.247254 11.005691 14.495005 13.743124 6.599367 6.051256 4.492241 3.681061 15.454780 1.804573 0.000000 14.202284 2.133674 8.481182 7.100806 9.549054 6.634741 9.043714 10.678633 7.226748 5.207431 11.874129 8.684529 13.041880 5.122939 4.225044 4.093880 2.873205 2.774876 1.107899 6.530865 9.206416 10.091079 6.984813 7.357777 8.999314 10.130382 11.110906 10.350264 6.313713 7.925429 7.793125 12.304536 11.637463 8.976261 7.648789 9.379657 13.406157 12.821861 6.124169 4.746168 4.522677 2.381135 14.525114 1.809148 1.804742 0.000000 0.7067641 0.1123343 0.1034313 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= 227 228 230 230 231 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 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= 14196 NPrTT= 70605 LenC2= 11778 LenP2D= 36592. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 244 RedAO= T EigKep= 7.33D-04 NBF= 244 NBsUse= 244 1.00D-06 EigRej= -1.00D+00 NBFU= 244 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= 229 230 230 230 230 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -829.490889537199 -829.625928148472 -0.135038611274 -829.891925301093 -0.265997152621 -829.897965480860 -0.006040179766 -829.911263114373 -0.013297633514 -829.912216521128 -0.000953406755 -829.912248067030 -0.000031545901 -829.912252345287 -0.000004278258 -829.912423493126 -0.000171147839 -829.912423719930 -0.000000226804 -829.912423852655 -0.000000132725 -829.912424027397 -0.000000174741 -829.912424032954 -0.000000005557 -829.912424033170 -0.000000000216 -829.912424033204 -0.000000000034 -829.912424033206 -0.000000000002 -829.912424033 16 8.271282953367e+02 -4.791349288336e+03 1.705017542834e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=454274113. IVT= 200178 IEndB= 200178 NGot= 939524096 MDV= 492602924 LenX= 492602924 LenY= 492542947 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= 29890 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 5.45018638e-01 8.45218897e-01 -2.17864147e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.021374039 -0.026045624 0.009934126 0.025363797 -0.009312272 -0.025012538 -0.003235925 0.001966523 0.007180568 0.000764754 -0.011282318 -0.007750296 -0.021622951 -0.002079843 0.017064076 0.007043071 -0.008176525 0.002725862 -0.007479848 0.015048513 0.029049227 -0.007326729 -0.007501754 -0.005264007 0.032012840 -0.001363536 -0.018781970 -0.039320856 0.001447617 0.001988751 0.003815408 0.002256072 0.007332364 0.003810134 0.013713843 -0.006610698 0.011314453 0.007847338 0.000404039 0.014923617 -0.003562403 -0.009851257 0.008997205 0.002807321 0.004907121 0.004482894 -0.006210856 -0.018032361 -0.009968083 0.007436908 0.018575451 -0.007846348 0.004488906 0.011537297 0.019136542 0.001560407 0.003961693 0.000249155 0.004776562 0.003708710 0.006412357 -0.003106869 0.001438965 -0.000876505 -0.000460434 -0.014130277 -0.006136706 0.004653676 0.004394408 -0.004157727 -0.001981973 -0.004836892 -0.000823810 -0.000350986 -0.013699650 -0.007288374 -0.005166991 0.002045279 -0.000329535 0.008455652 -0.000383246 0.002130883 0.001236101 0.005943490 0.007525276 -0.000972393 -0.003681767 -0.005429758 -0.004149204 0.000264053 -0.006200292 0.005373448 0.001802430 -0.000640185 0.001520446 -0.009458021 0.000654035 -0.006736246 0.003307342 0.001402875 -0.003863363 0.004387433 0.007062275 0.001340102 -0.002218245 -0.003242457 0.006145659 -0.000640594 0.000306866 0.014636966 -0.000296173 -0.001093045 -0.002591066 0.005486238 -0.004236150 -0.002091597 -0.003792701 -0.004507650 0.001136288 0.004612339 0.005801894 -0.001376758 -0.003307930 0.007233730 0.000496547 0.001891369 -0.003111976 -0.003268861 -0.015437125 -0.004051101 -0.001156432 0.008496789 0.003978223 -0.001807981 -0.004930854 -0.004122236 0.006271386 0.005677186 0.039320856 0.009538827 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -829.947213188259 -829.947238887936 -0.000025699677 -829.947238922381 -0.000000034445 -829.947238965222 -0.000000042841 -829.947238983340 -0.000000018118 -829.947238984297 -0.000000000957 -829.947238984335 -0.000000000038 -829.947238984355 -0.000000000020 -829.947238984 8 8.256163342521e+02 -4.725259738802e+03 1.672972410944e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=454274113. IVT= 200178 IEndB= 200178 NGot= 939524096 MDV= 492602924 LenX= 492602924 LenY= 492542947 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= 29890 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 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 -18.788451 -18.751797 -13.978869 -9.959427 -9.949024 -9.937392 -9.923452 -9.915731 -9.914726 -9.904431 -9.903655 -9.902146 -9.900819 -9.898520 -9.894234 -9.890950 -9.889545 -9.880514 -9.876527 -0.963491 -0.916877 -0.829718 -0.773266 -0.719097 -0.708499 -0.679539 -0.673178 -0.664482 -0.638583 -0.621085 -0.599761 -0.565275 -0.555176 -0.547053 -0.527528 -0.515511 -0.485661 -0.474783 -0.444229 -0.438909 -0.426435 -0.421591 -0.412798 -0.409892 -0.403824 -0.393454 -0.386285 -0.382947 -0.377854 -0.371350 -0.364535 -0.358898 -0.352942 -0.336614 -0.335053 -0.330180 -0.327037 -0.319145 -0.308656 -0.307321 -0.305206 -0.302347 -0.297533 -0.292545 -0.278559 -0.278297 -0.273840 -0.264048 -0.262587 -0.223295 -0.211371 -0.185511 -0.153082 -0.035578 -0.021306 0.044273 0.046119 0.075465 0.078836 0.087511 0.089660 0.094441 0.097355 0.103864 0.105874 0.115991 0.117693 0.121239 0.123440 0.131395 0.140800 0.146508 0.147165 0.151422 0.153591 0.159958 0.162615 0.169503 0.169909 0.171558 0.176645 0.178126 0.181112 0.186048 0.188780 0.195348 0.197379 0.202033 0.209515 0.214948 0.218896 0.223814 0.226541 0.230199 0.233423 0.240074 0.241254 0.256328 0.258433 0.263503 0.282855 0.292365 0.292646 0.295549 0.298182 0.301631 0.307032 0.308679 0.316884 0.321055 0.330302 0.338486 0.343557 0.346125 0.348620 0.356364 0.373510 0.381727 0.387570 0.391969 0.393246 0.403501 0.405091 0.411521 0.420908 0.425863 0.431037 0.432182 0.442335 0.448239 0.449401 0.458598 0.466751 0.482331 0.494953 0.503596 0.518846 0.525273 0.528576 0.545382 0.551970 0.572068 0.584395 0.607822 0.624943 0.630747 0.664486 0.667492 0.683648 0.705996 0.735552 0.758990 0.762092 0.786216 0.791463 0.793835 0.842346 0.849081 0.859531 0.861416 0.882379 0.903636 0.910051 0.925574 0.942990 0.954952 0.965107 0.971048 0.983015 0.987475 1.000162 1.011895 1.019236 1.034111 1.044750 1.046578 1.052230 1.058344 1.070743 1.081301 1.085924 1.099931 1.113785 1.122972 1.129697 1.139584 1.156799 1.169937 1.186936 1.190095 1.205127 1.220598 1.228765 1.270518 1.285074 1.297314 1.319770 1.372050 1.420110 1.436972 1.476538 1.501546 1.554799 1.646060 1.788564 22.320716 22.474284 22.513849 22.524950 22.549392 22.572117 22.582140 22.592423 22.633933 22.643442 22.650181 22.675766 22.682561 22.702796 22.723787 22.791195 31.568211 41.489842 41.562492 29.116568 29.119167 22.049201 15.957213 15.958379 15.960124 15.959972 15.958885 15.958398 15.955374 15.954634 15.954668 15.954896 15.954533 15.957545 15.957457 15.956007 15.957103 15.956382 2.538230 2.544683 1.687702 1.520110 1.415092 1.487459 1.549957 1.573408 1.524453 1.563382 1.550700 1.540117 1.526913 1.420124 1.458080 1.318156 1.471892 1.343423 1.422718 1.302696 1.174377 1.243877 1.134310 1.249692 1.155430 1.252126 1.168166 1.161144 1.167107 1.177075 1.229697 1.153312 1.243949 1.262060 1.204968 1.164609 1.111963 1.303217 1.343294 1.320531 1.288899 1.237756 1.268446 1.300225 1.357914 1.422039 1.362048 1.733660 1.860755 1.605989 1.134591 2.226113 1.684670 1.748358 1.362205 1.626162 1.442156 1.869646 1.024651 1.175516 1.143951 1.255575 1.251964 1.408544 1.293016 1.164128 1.327337 1.560896 1.148456 1.238619 1.247603 1.280731 1.121438 1.344236 1.058593 1.358089 1.114991 1.279802 1.200696 1.364255 1.212047 1.113366 1.296925 1.272812 1.313924 1.367426 1.454309 1.365333 1.310755 1.198414 1.183576 1.382728 1.387502 1.299753 1.503809 1.170119 1.593552 1.531981 1.322821 1.489605 1.464019 1.422258 1.396117 1.571906 1.346380 1.489715 1.797018 1.552372 1.452422 1.626943 1.620154 1.549917 1.556935 1.862813 1.511530 1.493369 1.732909 1.962640 1.604970 1.537131 2.140376 1.965525 2.225611 2.007272 2.063114 2.096569 2.305913 2.114538 1.818219 2.169086 1.883233 2.088382 1.862954 2.297001 2.289705 1.916609 1.899229 1.751995 2.108947 1.996165 1.874075 2.073385 1.819930 2.193262 2.166479 2.416248 3.096338 2.115859 2.444818 2.097005 1.940150 2.391538 2.478041 2.503808 2.625284 2.522537 2.519951 2.533813 3.086312 2.980311 2.863847 2.941262 2.912523 2.728758 2.820234 2.939048 3.030544 2.677898 2.992842 2.852504 3.000808 2.809804 2.946382 2.701557 2.717911 2.756142 2.560867 2.885543 2.675636 2.652560 2.735041 2.706714 2.732085 2.646852 2.665635 2.658238 2.775934 2.764615 2.708522 2.573225 2.638228 2.645305 2.714353 2.662151 2.830616 2.780198 2.795808 2.753712 2.780154 3.033988 2.903525 3.270579 3.002493 3.709460 4.618856 5.381836 57.407791 57.410628 57.391453 57.411093 57.406472 57.407307 57.408912 57.406307 57.390584 57.385350 57.393557 57.384225 57.377739 57.390681 57.397643 57.382988 80.071035 105.851544 105.841557 8.256163342521D+02 PT6486.400S 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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 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 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AuxInfo=1/0/N:12,9,19,7,8,11,14,15,16,17,5,13,6,4,10,18,3,1,2/E:(7,8)(9,10)/CRV:7.3,8.3,9.3,10.3,15.3,16.3/rA:46OONCCCCCCC3CCCC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s4;s3;s5;s4;s6;s8;s7;s1s11;s10;s10;s14;s15;s2s16s17;s2;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s9;s11;s11;s12;s12;s12;s13;s13;s14;s15;s16;s17;s1;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2080 CBGUSER 000026649 EM64L-G09RevD.01 28-Apr-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 132 C1[X(C16H27NO2)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 238.17669999999987 0 1 AuxInfo=1/0/N:12,9,19,7,8,11,14,15,16,17,5,13,6,4,10,18,3,1,2/E:(7,8)(9,10)/CRV:7.3,8.3,9.3,10.3,15.3,16.3/rA:46OONCCCCCCC3CCCC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s4;s3;s5;s4;s6;s8;s7;s1s11;s10;s10;s14;s15;s2s16s17;s2;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s9;s11;s11;s12;s12;s12;s13;s13;s14;s15;s16;s17;s1;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-25831.inp" -scrdir="/scratch/" chk=000026649-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 000026649 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 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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| 0.000414 0.000069 0.095429 0.025484 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.077111e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1396.7237186251 244 564 244 73 73 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 0 238.17669999999987 AuxInfo=1/0/N:12,9,19,7,8,11,14,15,16,17,5,13,6,4,10,18,3,1,2/E:(7,8)(9,10)/CRV:7.3,8.3,9.3,10.3,15.3,16.3/rA:46OONCCCCCCC3CCCC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s4;s3;s5;s4;s6;s8;s7;s1s11;s10;s10;s14;s15;s2s16s17;s2;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s9;s11;s11;s12;s12;s12;s13;s13;s14;s15;s16;s17;s1;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 13.137991 0.000000 6.362092 7.976810 0.000000 7.509795 6.544294 1.496199 0.000000 5.078848 8.779083 1.484424 2.518435 0.000000 7.572168 5.779556 2.509414 1.561638 3.148172 0.000000 6.929707 8.835973 1.486328 2.499644 2.479455 3.813426 0.000000 3.881259 9.915649 2.520266 3.799693 1.546209 4.141691 3.218997 0.000000 7.972198 6.542882 2.564123 1.553547 3.050832 2.583109 3.253788 4.572953 0.000000 9.013200 4.258363 3.865598 2.576944 4.602103 1.521577 4.983159 5.661825 3.137450 0.000000 2.510441 10.922898 3.892046 5.027724 2.569084 5.256674 4.564653 1.545742 5.502275 6.733516 0.000000 8.002491 8.797524 2.528975 3.182620 3.799700 4.294788 1.541963 4.282388 4.209034 5.240541 5.752562 0.000000 1.473409 12.114201 5.084802 6.314543 3.943094 6.426183 5.629092 2.564765 6.955521 7.910650 1.539199 6.606074 0.000000 9.528718 3.688609 4.875549 3.544593 5.335941 2.570680 6.043066 6.483414 3.545224 1.421234 7.333186 6.488779 8.581650 0.000000 10.056358 3.764890 4.545357 3.312185 5.567789 2.553563 5.405033 6.537211 4.043674 1.416574 7.765695 5.257508 8.854394 2.427549 0.000000 10.918448 2.386518 6.157087 4.752710 6.712848 3.868509 7.218896 7.876046 4.646757 2.468678 8.740240 7.517779 9.980701 1.407519 2.814863 0.000000 11.393222 2.501100 5.903248 4.587066 6.907253 3.864611 6.694628 7.927822 5.046893 2.473931 9.116641 6.479520 10.225422 2.822339 1.413881 2.452870 0.000000 11.783317 1.406471 6.594450 5.181641 7.398573 4.376493 7.503026 8.515513 5.297537 2.855140 9.547492 7.515080 10.732290 2.443414 2.442818 1.416889 1.416999 0.000000 14.137851 1.463406 8.723372 7.334401 9.684430 6.649808 9.444412 10.769810 7.481565 5.159091 11.891898 9.175861 13.031172 4.894434 4.302498 3.724982 2.889709 2.452289 0.000000 8.391703 6.299328 2.089555 1.107397 3.419297 2.150657 2.552301 4.566456 2.163641 2.720220 5.918306 2.703183 7.120496 3.858904 2.957992 4.854756 4.173667 4.984179 6.897095 0.000000 5.199311 8.217095 2.116410 2.554576 1.105766 2.723938 3.394199 2.161875 2.911060 4.103396 2.805568 4.628921 4.221497 4.624720 5.258486 6.025024 6.535818 6.857379 9.231624 3.619633 0.000000 5.168775 9.337503 2.169505 3.071727 1.119292 3.973453 2.656198 2.184688 3.106288 5.313411 2.755747 4.165969 4.208132 5.907377 6.307539 7.247650 7.587070 7.995123 10.280523 3.927646 1.778640 0.000000 7.380339 6.273536 2.591525 2.153628 3.324463 1.106210 3.835204 3.942746 3.503449 2.173447 5.176911 4.058782 6.141805 3.388817 2.760922 4.579062 4.138960 4.880510 6.990395 2.492077 3.082078 4.320404 0.000000 6.920708 6.231718 2.842220 2.195379 2.922777 1.107680 4.288579 3.865948 2.811316 2.161777 4.708811 5.040244 5.914162 2.676843 3.436075 4.073827 4.620573 4.870905 7.257397 3.073832 2.152181 3.721773 1.781002 0.000000 7.530240 8.832700 2.168578 2.724070 2.974491 4.239199 1.119032 3.982822 2.935835 5.234593 5.146808 2.186873 6.337002 6.141678 5.681845 7.243457 6.859617 7.560537 9.467057 2.727456 3.787850 2.777812 4.510326 4.692770 0.000000 6.211578 9.870745 2.102265 3.415042 2.509655 4.598634 1.105929 2.796881 4.091042 5.898720 4.012899 2.160935 4.929908 6.928242 6.395693 8.167196 7.722272 8.518583 10.506341 3.619583 3.588438 2.529090 4.524091 4.902399 1.778128 0.000000 4.183908 10.534949 2.749366 4.210482 2.186191 4.792395 2.919425 1.109188 5.044513 6.297647 2.184028 3.832634 2.803018 7.244800 7.013170 8.608670 8.419558 9.131438 11.291655 4.778436 3.083611 2.578666 4.502346 4.717991 3.747548 2.195762 0.000000 4.171776 9.570377 2.756953 3.874911 2.166344 3.849195 3.663064 1.107151 4.907643 5.339107 2.191295 4.430366 2.806012 6.235630 6.135904 7.603073 7.527791 8.171344 10.376739 4.577843 2.473146 3.089570 3.403823 3.605328 4.574819 3.421062 1.773774 0.000000 8.961724 5.610150 3.504060 2.198691 4.091300 2.829882 4.169385 5.589374 1.104145 2.802100 6.515231 4.890597 7.963035 2.950292 3.607604 3.826853 4.363824 4.452164 6.572722 2.485649 3.814333 4.196445 3.843826 3.153885 3.805853 5.093910 6.092131 5.817691 0.000000 7.358653 6.982192 2.897416 2.210229 2.820209 2.854908 3.788976 4.330735 1.106207 3.538843 4.983561 4.964262 6.490058 3.669673 4.691068 4.860724 5.684871 5.751977 8.061229 3.097541 2.402074 2.759173 3.811990 2.633212 3.535609 4.415350 4.972803 4.736427 1.785706 0.000000 8.205515 7.318227 2.811722 2.208231 3.325661 3.547983 2.981683 4.824209 1.105874 4.130852 5.741916 3.990290 7.192984 4.581168 4.856472 5.582311 5.817842 6.132754 8.170051 2.531627 3.484861 3.076309 4.341613 3.832900 2.310770 3.771196 5.098504 5.336670 1.786845 1.790473 0.000000 2.769115 11.384748 4.177268 5.315283 2.808894 5.793166 4.613374 2.184104 5.536988 7.244101 1.111894 5.938642 2.176615 7.781025 8.303186 9.177670 9.635430 10.023684 12.380131 6.199889 3.170444 2.531049 5.860600 5.267554 4.991260 3.966269 2.535604 3.105565 6.587634 4.974837 5.593771 0.000000 2.724811 10.510486 4.198188 5.069070 2.804821 5.053463 5.133873 2.190315 5.425908 6.440728 1.108003 6.359847 2.163748 6.860811 7.591461 8.251584 8.881161 9.169839 11.565390 6.063988 2.587580 3.059249 5.078881 4.308153 5.655944 4.771272 3.104189 2.555979 6.347850 4.748192 5.825945 1.781159 0.000000 7.686025 9.049724 2.772191 3.583882 3.939940 4.365233 2.182738 4.072915 4.854247 5.388885 5.584514 1.104056 6.235871 6.718947 5.359517 7.778212 6.632989 7.742902 9.392514 3.200793 4.742497 4.517327 3.856173 5.083972 3.104437 2.509507 3.579913 3.993368 5.547020 5.514432 4.821390 5.941900 6.218155 0.000000 8.826694 7.892109 2.848550 2.950745 4.289107 3.996936 2.208337 4.996698 3.958302 4.654364 6.488235 1.105160 7.434906 5.914500 4.465574 6.805024 5.583766 6.664261 8.190247 2.134614 4.933422 4.704675 3.843006 4.905296 2.568216 3.099424 4.724020 5.043406 4.413920 4.875253 3.819373 6.714499 6.962439 1.786866 0.000000 8.533383 9.651656 3.477532 4.163853 4.607476 5.370556 2.189428 5.003451 4.991100 6.267533 6.389726 1.106391 7.165231 7.487594 6.216496 8.470132 7.363906 8.416729 9.956870 3.641689 5.526379 4.784340 5.164826 6.100783 2.510207 2.490582 4.370966 5.266205 5.662469 5.758914 4.565200 6.446790 7.103547 1.797317 1.782922 0.000000 2.137515 12.634223 5.213146 6.581622 4.248488 6.870847 5.476129 2.800776 7.290786 8.384980 2.187654 6.332015 1.112498 9.179656 9.217256 10.577612 10.617484 11.235119 13.472631 7.269032 4.771940 4.444305 6.518068 6.510720 6.208546 4.628470 2.579959 3.126922 8.339742 6.952461 7.398647 2.546673 3.092380 5.928823 7.262989 6.747878 0.000000 2.045083 11.868314 5.262039 6.409358 4.264180 6.282863 5.958953 2.839312 7.218236 7.721959 2.186345 6.777919 1.103312 8.423043 8.610786 9.794097 9.964581 10.497915 12.750222 7.185559 4.412981 4.773130 5.858992 5.774681 6.783727 5.373823 3.187272 2.631049 8.162045 6.793534 7.588228 3.097874 2.507314 6.263347 7.539525 7.427997 1.794459 0.000000 8.947942 4.551400 4.885144 3.693631 5.039334 2.778433 6.141560 6.193436 3.452712 2.179177 6.840250 6.825117 8.127682 1.096983 3.424677 2.165437 3.919286 3.433174 5.854244 4.276220 4.180452 5.522458 3.693796 2.448268 6.206394 6.922586 7.054838 6.031049 3.005906 3.240618 4.513815 7.240114 6.253322 7.072589 6.393324 7.824954 8.812158 8.021755 0.000000 9.925599 4.661634 4.282391 3.290540 5.471578 2.751276 4.972027 6.294691 4.327537 2.174765 7.646220 4.559995 8.634230 3.425527 1.097599 3.912373 2.168930 3.432622 4.954402 2.711416 5.355653 6.266831 2.596403 3.779646 5.373513 5.941195 6.625176 5.845149 4.096998 5.079458 5.008252 8.212756 7.613717 4.551978 3.748987 5.493121 8.882202 8.368946 4.336596 0.000000 11.442937 2.563413 7.006215 5.615010 7.420048 4.758109 8.093134 8.607526 5.298790 3.466457 9.341356 8.495637 10.606791 2.189122 3.909098 1.094409 3.435260 2.165938 4.023337 5.806676 6.646788 7.876984 5.526012 4.783510 8.050346 9.014432 9.400180 8.376372 4.437039 5.360800 6.211038 9.737705 8.761369 8.790864 7.806909 9.436977 11.269675 10.440349 2.515289 5.006528 0.000000 12.201134 2.792244 6.576852 5.338664 7.698555 4.726614 7.220103 8.657506 5.890717 3.455842 9.924987 6.783399 10.977078 3.916473 2.173422 3.452199 1.094304 2.192910 2.587263 4.751567 7.423857 8.394229 4.843072 5.570117 7.402943 8.258193 9.056780 8.220936 5.227077 6.622203 6.561821 10.459058 9.759780 6.898637 5.815464 7.587935 11.299880 10.687513 5.013433 2.484600 4.346833 0.000000 0.990800 13.480605 6.514330 7.678723 5.178220 7.906613 6.954125 4.128335 7.987648 9.354336 2.687160 8.121368 2.021207 9.834171 10.429212 11.229035 11.765565 12.127715 14.505671 8.567851 5.368907 5.052238 7.816306 7.261267 7.432786 6.179156 4.343092 4.645064 9.003933 7.344804 8.108935 2.526543 2.992128 7.919475 8.975723 8.571538 2.430782 2.876795 9.216173 10.319110 11.728412 12.591676 0.000000 14.043152 2.133707 8.767785 7.464847 9.751910 6.648551 9.524221 10.712104 7.826571 5.213032 11.865457 9.157066 12.908154 5.126045 4.230239 4.095527 2.878293 2.778738 1.107836 7.012290 9.313402 10.446831 6.820256 7.282100 9.672136 10.557022 11.220211 10.216243 7.016307 8.409939 8.566361 12.438261 11.554358 9.246138 8.194087 9.967229 13.337413 12.543121 6.125434 4.746790 4.520486 2.380600 14.477298 0.000000 15.093848 2.047975 9.751569 8.337687 10.671827 7.649453 10.479238 11.784689 8.381226 6.140084 12.865118 10.240103 14.023156 5.719308 5.369363 4.434307 3.962900 3.330245 1.100035 7.929282 10.177901 11.236265 8.030956 8.194920 10.457535 11.545438 12.333707 11.402751 7.422839 8.915724 9.056850 13.338317 12.495592 10.480897 9.247254 11.005690 14.495004 13.743124 6.599366 6.051255 4.492241 3.681061 15.454780 1.804574 0.000000 14.202284 2.133674 8.481181 7.100806 9.549055 6.634741 9.043714 10.678633 7.226748 5.207431 11.874129 8.684529 13.041880 5.122940 4.225044 4.093880 2.873205 2.774876 1.107899 6.530865 9.206417 10.091079 6.984813 7.357776 8.999314 10.130383 11.110907 10.350264 6.313713 7.925429 7.793125 12.304536 11.637463 8.976260 7.648789 9.379657 13.406157 12.821861 6.124169 4.746168 4.522677 2.381135 14.525114 1.809148 1.804742 0.000000 C16H27NO2 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 0 238.17669999999987 AuxInfo=1/0/N:12,9,19,7,8,11,14,15,16,17,5,13,6,4,10,18,3,1,2/E:(7,8)(9,10)/CRV:7.3,8.3,9.3,10.3,15.3,16.3/rA:46OONCCCCCCC3CCCC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s4;s3;s5;s4;s6;s8;s7;s1s11;s10;s10;s14;s15;s2s16s17;s2;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s9;s11;s11;s12;s12;s12;s13;s13;s14;s15;s16;s17;s1;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7067641 0.1123343 0.1034313 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= 14196 NPrTT= 70605 LenC2= 11778 LenP2D= 36592. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 244 RedAO= T EigKep= 7.33D-04 NBF= 244 NBsUse= 244 1.00D-06 EigRej= -1.00D+00 NBFU= 244 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= 229 229 230 230 230 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -829.556865813496 -829.678722506715 -0.121856693220 -829.924417228445 -0.245694721729 -829.930008302796 -0.005591074351 -829.946092592373 -0.016084289577 -829.947192951731 -0.001100359358 -829.947240622129 -0.000047670399 -829.947246853857 -0.000006231728 -829.947144259561 0.000102594296 -829.947146591315 -0.000002331754 -829.947145850793 0.000000740522 -829.947146844725 -0.000000993932 -829.947146851123 -0.000000006398 -829.947146851346 -0.000000000223 -829.947146851411 -0.000000000065 -829.947146851393 0.000000000018 -829.947146851 16 8.256166562621e+02 -4.725260063705e+03 1.672972541966e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 200590 IEndB= 200590 NGot= 402653184 MDV= 402529015 LenX= 402529015 LenY= 402469038 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= 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= 402652476 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= 710000000 NMat= 141 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= 141 NMatS0= 141 NMatT0= 0 NMatD0= 141 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 141 vectors produced by pass 0 Test12= 1.25D-14 1.00D-09 XBig12= 3.30D+02 1.12D+01. AX will form 141 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 1.25D-14 1.00D-09 XBig12= 1.13D+02 2.98D+00. 138 vectors produced by pass 2 Test12= 1.25D-14 1.00D-09 XBig12= 4.11D-01 5.98D-02. 138 vectors produced by pass 3 Test12= 1.25D-14 1.00D-09 XBig12= 1.54D-04 1.60D-03. 63 vectors produced by pass 4 Test12= 1.25D-14 1.00D-09 XBig12= 1.38D-08 1.08D-05. 3 vectors produced by pass 5 Test12= 1.25D-14 1.00D-09 XBig12= 7.83D-13 7.14D-08. 1 vectors produced by pass 6 Test12= 1.25D-14 1.00D-09 XBig12= 5.01D-16 2.00D-09. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 622 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 192.08 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 261.629 -0.483 167.731 3.425 -17.854 146.872 383.503 1.218 291.498 2.719 -53.470 257.915 (Enter /mnt/data/applications/G09/g09/l716.exe) PT5323.300S 2017-04-28T17:35:36.000+02:00 -18.78845 -18.75180 -13.97887 -9.95942 -9.94902 -9.93739 -9.92346 -9.91573 -9.91472 -9.90443 -9.90365 -9.90214 -9.90082 -9.89852 -9.89423 -9.89094 -9.88954 -9.88051 -9.87652 -0.96349 -0.91688 -0.82972 -0.77327 -0.71909 -0.70850 -0.67954 -0.67317 -0.66448 -0.63858 -0.62108 -0.59976 -0.56528 -0.55517 -0.54705 -0.52753 -0.51551 -0.48566 -0.47478 -0.44423 -0.43891 -0.42643 -0.42159 -0.41280 -0.40989 -0.40382 -0.39345 -0.38628 -0.38294 -0.37785 -0.37134 -0.36453 -0.35890 -0.35294 -0.33661 -0.33505 -0.33018 -0.32704 -0.31914 -0.30866 -0.30732 -0.30521 -0.30235 -0.29753 -0.29255 -0.27856 -0.27830 -0.27384 -0.26405 -0.26259 -0.22329 -0.21137 -0.18551 -0.15309 -0.03557 -0.02130 0.04428 0.04613 0.07546 0.07884 0.08751 0.08966 0.09444 0.09736 0.10388 0.10587 0.11600 0.11770 0.12124 0.12344 0.13139 0.14080 0.14651 0.14716 0.15143 0.15359 0.15995 0.16262 0.16951 0.16991 0.17156 0.17664 0.17814 0.18111 0.18605 0.18878 0.19535 0.19738 0.20203 0.20951 0.21495 0.21890 0.22381 0.22653 0.23019 0.23343 0.24007 0.24124 0.25633 0.25844 0.26350 0.28286 0.29237 0.29264 0.29554 0.29818 0.30164 0.30704 0.30868 0.31688 0.32106 0.33030 0.33849 0.34356 0.34614 0.34863 0.35638 0.37351 0.38173 0.38753 0.39198 0.39325 0.40351 0.40510 0.41151 0.42091 0.42585 0.43103 0.43213 0.44234 0.44823 0.44941 0.45861 0.46674 0.48234 0.49496 0.50361 0.51885 0.52529 0.52857 0.54540 0.55198 0.57208 0.58440 0.60782 0.62495 0.63075 0.66453 0.66750 0.68370 0.70601 0.73554 0.75898 0.76210 0.78621 0.79146 0.79383 0.84237 0.84908 0.85954 0.86144 0.88238 0.90364 0.91005 0.92557 0.94300 0.95495 0.96510 0.97104 0.98301 0.98748 1.00017 1.01191 1.01924 1.03411 1.04475 1.04658 1.05223 1.05834 1.07074 1.08130 1.08593 1.09993 1.11378 1.12297 1.12970 1.13958 1.15679 1.16994 1.18693 1.19010 1.20512 1.22059 1.22877 1.27051 1.28506 1.29731 1.31977 1.37206 1.42011 1.43697 1.47653 1.50153 1.55478 1.64606 1.78857 22.32072 22.47429 22.51385 22.52495 22.54939 22.57212 22.58215 22.59242 22.63394 22.64344 22.65018 22.67576 22.68256 22.70280 22.72379 22.79120 31.56821 41.48984 41.56250 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 N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H -0.437590 -0.268742 -0.120991 -0.049074 -0.335150 -0.590662 -0.330081 -0.385046 -0.727279 0.515720 -0.382111 -0.678755 -0.329417 -0.405004 -0.409649 -0.360620 -0.362434 0.314713 -0.537986 0.214347 0.200802 0.182296 0.226359 0.200600 0.185899 0.204080 0.186288 0.215700 0.244302 0.208405 0.214869 0.181116 0.213073 0.226531 0.209348 0.206688 0.182343 0.218449 0.232144 0.231480 0.247269 0.236842 0.328265 0.219725 0.244043 0.218898 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 O O N C C C C C C C C C C C C C C C C -0.109325 -0.268742 -0.120991 0.165272 0.047948 -0.163704 0.059897 0.016943 -0.059704 0.515720 0.012078 -0.036188 0.071375 -0.172860 -0.178169 -0.113351 -0.125592 0.314713 0.144679 0.00000 -5.10280860e-01 1.25381594e+00 3.18005723e-01 2.61628865e+02 -4.83164027e-01 1.67731444e+02 3.42544153e+00 -1.78536549e+01 1.46871853e+02 -13.6585 -4.3093 -2.0190 -0.0011 -0.0006 -0.0005 7.8334 20.3164 33.7767 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 5.5272 20.1739 33.7204 39.1277 50.6032 54.2295 67.6915 98.3269 98.9637 104.3542 137.2154 167.1455 179.8535 180.5927 206.7838 216.6414 228.2167 240.7654 264.0488 280.2131 316.3862 323.4037 338.4617 348.3368 373.9948 412.1420 421.7161 445.1697 446.5855 503.8858 517.9279 537.4673 564.9986 633.5367 712.1680 724.7560 742.3858 763.5007 791.3183 797.9691 807.5885 819.9379 840.8806 847.7233 887.2046 907.7655 934.1079 942.2167 954.6565 960.1579 989.0428 989.8113 1003.1440 1038.5357 1040.5647 1048.9436 1061.4759 1065.3438 1079.3124 1092.5754 1108.9661 1112.2009 1118.3019 1131.0843 1155.8212 1167.0798 1177.5216 1202.0944 1213.9064 1215.9749 1228.5631 1243.0192 1256.9824 1279.0848 1282.6423 1294.2273 1298.8297 1304.0089 1313.6145 1319.4365 1347.1382 1362.7952 1365.3607 1369.2940 1379.0014 1380.5536 1382.8092 1386.9586 1415.4779 1436.4757 1463.4474 1464.8960 1466.0791 1466.5783 1468.6445 1472.7535 1473.1994 1475.8349 1478.2952 1481.0843 1487.6201 1490.7775 1501.2485 1583.3783 1622.9679 2856.0462 2865.8501 2945.9431 2955.0306 2955.7934 2975.3924 2976.5788 2979.7564 2981.0238 3002.3862 3016.1737 3024.3104 3026.8555 3041.7409 3045.2761 3049.9356 3068.1916 3073.0789 3074.9299 3079.5780 3089.6694 3115.1035 3121.9095 3122.4627 3158.0125 3164.1969 3558.1374 3.8258 5.0856 3.2929 2.6467 2.1664 2.7861 3.0992 3.1933 3.1566 3.1584 2.0969 3.0249 3.2870 1.9225 2.0776 1.3939 1.5141 1.2916 2.2690 2.2826 1.2616 2.6841 3.1823 3.3263 2.4654 2.9317 3.2441 4.0248 3.2342 3.0030 3.8067 2.4533 3.1112 6.7172 3.7755 3.6625 1.0907 2.8409 1.2558 1.2017 1.8372 1.5077 2.5722 2.1076 1.3770 1.4351 1.4708 2.7358 1.9168 1.3709 2.5155 8.6746 2.6471 2.6774 3.3213 2.0211 2.5814 1.8949 1.8488 2.1381 1.5002 1.2613 1.4220 2.1127 1.3409 1.8164 1.2218 1.9783 2.0538 1.5989 4.3785 1.2872 1.3941 1.1907 1.0757 1.3094 1.2613 1.2857 1.2976 1.3490 1.3483 1.3954 1.3080 1.3566 1.7411 1.9616 1.3491 1.2335 3.2674 1.1715 1.0714 1.0818 1.0494 1.0501 1.0712 1.0615 1.0732 1.0795 1.0739 1.0571 1.0917 1.0729 2.4792 7.0472 6.4654 1.0714 1.0713 1.0696 1.0631 1.0331 1.0378 1.0607 1.0598 1.0371 1.0819 1.0911 1.0869 1.0902 1.1037 1.1015 1.0991 1.0993 1.0982 1.0973 1.0988 1.1004 1.0894 1.0943 1.0940 1.0936 1.0952 1.0661 0.0001 0.0012 0.0022 0.0024 0.0033 0.0048 0.0084 0.0182 0.0182 0.0203 0.0233 0.0498 0.0626 0.0369 0.0523 0.0385 0.0465 0.0441 0.0932 0.1056 0.0744 0.1654 0.2148 0.2378 0.2032 0.2934 0.3399 0.4699 0.3800 0.4492 0.6016 0.4176 0.5852 1.5885 1.1282 1.1335 0.3542 0.9757 0.4633 0.4508 0.7060 0.5972 1.0716 0.8924 0.6386 0.6967 0.7561 1.4310 1.0292 0.7446 1.4498 5.0073 1.5694 1.7014 2.1189 1.3102 1.7136 1.2671 1.2689 1.5038 1.0870 0.9193 1.0478 1.5925 1.0554 1.4577 0.9981 1.6843 1.7831 1.3929 3.8938 1.1718 1.2978 1.1477 1.0427 1.2922 1.2536 1.2881 1.3193 1.3837 1.4417 1.5269 1.4366 1.4986 1.9508 2.2027 1.5199 1.3980 3.8571 1.4242 1.3520 1.3678 1.3289 1.3307 1.3613 1.3565 1.3723 1.3853 1.3827 1.3663 1.4234 1.4049 3.2921 10.4096 10.0337 5.1489 5.1839 5.4692 5.4697 5.3180 5.4133 5.5371 5.5440 5.4299 5.7461 5.8483 5.8571 5.8847 6.0166 6.0183 6.0239 6.0971 6.1103 6.1131 6.1396 6.1892 6.2283 6.2838 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