Gaussian 09 GINC-KIMIK2123 CBGUSER 000051245 EM64L-G09RevD.01 16-May-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 342.3124999999998 0 1 AuxInfo=1/0/N:21,10,11,12,18,22,23,14,19,20,26,25,15,13,9,16,8,17,24,7,6,4,3,5,2,1/E:(2,3,4)/CRV:6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,25.2/rA:51SN2NN2NN2CC3C3CCCC3CC3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;s3;s8;s7;s7;s7;s4;s13;s8s13;s4s9;s2s3s5;s14;s9;s16;s18;s19;s20s22;s1s5s6;s1;s6s25;s10;s10;s10;s11;s11;s11;s12;s12;s12;s14;s14;s15;s3;s18;s18;s19;s20;s5;s21;s21;s21;s22;s23;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-8913.inp" -scrdir="/scratch/" chk=000051245.chk nprocshared=8 mem=31GB #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 000051245 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 32 14 14 14 14 14 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 1 1 1 1 1 1 1 1 1 31.9720718 14.0030740 14.0030740 14.0030740 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 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 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 1 1 2 2 3 3 3 4 4 5 5 5 6 6 7 7 7 8 8 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 14 15 16 18 18 18 19 19 20 20 21 21 21 22 22 23 25 25 26 24 25 7 17 8 17 39 13 16 17 24 44 24 26 10 11 12 9 15 16 19 27 28 29 30 31 32 33 34 35 14 15 18 36 37 38 20 21 40 41 22 42 23 43 45 46 47 23 48 49 26 50 51 1.711 1.715 1.456 1.3044 1.4153 1.3941 1.0147 1.3527 1.3466 1.397 1.3702 1.0038 1.3086 1.3812 1.5283 1.5281 1.5285 1.4014 1.3874 1.4106 1.4052 1.0959 1.0968 1.0992 1.0963 1.0962 1.0956 1.0979 1.0982 1.0887 1.4924 1.3802 1.5347 1.0977 1.0973 1.0853 1.3921 1.5203 1.0971 1.0969 1.3919 1.0865 1.3971 1.0884 1.0947 1.0944 1.0946 1.3893 1.0857 1.0861 1.3791 1.0805 1.0816 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 24 7 8 8 17 13 17 17 24 24 2 2 2 10 10 11 3 3 9 8 8 16 7 7 7 27 27 28 7 7 7 30 30 31 7 7 7 33 33 34 4 4 14 13 13 13 18 18 36 8 8 13 4 4 9 2 2 3 14 14 14 21 21 40 9 9 22 16 16 23 18 18 18 45 45 46 19 19 23 20 20 22 1 1 5 1 1 26 6 6 25 1 2 3 3 3 4 5 5 5 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 25 17 17 39 39 16 24 44 44 26 10 11 12 11 12 12 9 15 15 16 19 19 27 28 29 28 29 29 30 31 32 31 32 32 33 34 35 34 35 35 14 15 15 18 36 37 36 37 37 13 38 38 9 20 20 3 5 5 21 40 41 40 41 41 22 42 42 23 43 43 45 46 47 46 47 47 23 48 48 22 49 49 5 6 6 26 50 50 25 51 51 88.8782 118.3835 129.6569 113.2423 117.071 118.213 131.0188 119.5807 109.3337 108.4764 108.4033 107.8611 108.4042 110.61 110.8474 110.6116 121.7403 118.0605 120.1992 118.0884 121.579 120.3327 115.1547 113.5896 109.6838 110.0221 103.9313 103.3456 111.0256 111.1611 111.4876 107.0397 107.8727 108.0681 110.0751 109.1929 119.6747 106.2922 106.1433 104.6087 116.4708 124.1201 119.4091 112.2264 108.8867 110.1482 109.3563 110.1025 105.913 117.5343 121.7579 120.704 121.8451 120.0893 118.0656 124.1879 121.7108 113.923 111.9265 109.9366 109.9113 109.1098 109.0785 106.7344 120.3934 122.2111 117.3931 121.6133 119.7948 118.5919 110.9461 110.2862 110.9679 108.1111 108.3269 108.0998 119.5793 120.2153 120.2052 120.0156 119.9086 120.0758 118.9488 117.1348 123.9164 109.594 121.7753 128.6307 115.9166 119.1531 124.9303 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 25 25 24 24 17 17 17 7 7 17 17 39 39 8 8 39 39 16 16 13 13 24 24 44 44 17 17 44 44 26 26 24 24 2 2 2 11 11 11 12 12 12 2 2 2 10 10 10 12 12 12 2 2 2 10 10 10 11 11 11 3 3 15 15 3 3 9 9 8 8 19 19 8 8 16 16 4 4 4 15 15 15 4 4 14 14 13 13 13 36 36 36 37 37 37 4 4 9 9 14 14 14 40 40 40 41 41 41 9 9 42 42 16 16 43 43 19 19 48 48 1 1 50 50 1 1 1 1 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 16 16 16 16 18 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 22 22 22 22 25 25 25 25 24 24 25 25 7 7 7 17 17 8 8 8 8 17 17 17 17 13 13 16 16 17 17 17 17 24 24 24 24 24 24 26 26 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 9 9 9 9 15 15 15 15 16 16 16 16 19 19 19 19 14 14 14 14 14 14 15 15 15 15 18 18 18 18 18 18 18 18 18 20 20 20 20 21 21 21 21 21 21 21 21 21 22 22 22 22 23 23 23 23 23 23 23 23 26 26 26 26 5 6 26 50 10 11 12 3 5 9 15 9 15 2 5 2 5 14 15 9 20 2 3 2 3 1 6 1 6 1 5 25 51 27 28 29 27 28 29 27 28 29 30 31 32 30 31 32 30 31 32 33 34 35 33 34 35 33 34 35 16 19 16 19 13 38 13 38 4 20 4 20 22 42 22 42 18 36 37 18 36 37 8 38 8 38 21 40 41 21 40 41 21 40 41 23 43 23 43 45 46 47 45 46 47 45 46 47 23 48 23 48 22 49 22 49 20 49 20 49 6 51 6 51 179.9929 0.0053 -0.0033 -179.9991 59.9918 179.7921 -60.4051 -179.9939 -5.145 140.1611 -39.8545 -37.7664 142.218 -19.6971 165.096 158.1643 -17.0427 -179.9912 0.0043 -0.0002 179.9954 174.1302 -10.5301 -2.5533 172.7864 -174.0118 5.9749 2.9319 -177.0815 -0.0055 -179.9924 0.0027 -179.9849 5.4863 -122.6699 122.2609 -112.5786 119.2652 4.1959 124.3514 -3.8048 -118.8741 59.8758 -59.1646 -179.8149 178.2714 59.2311 -61.4193 -58.5219 -177.5622 61.7874 -52.0006 -168.3265 71.2943 -170.8651 72.809 -47.5701 66.0658 -50.2601 -170.6392 179.9888 -0.0164 0.0047 179.9996 -179.9856 -0.6965 -0.001 179.2881 -0.0042 -179.9999 -179.9991 0.0052 179.9971 -0.5739 -0.0081 179.4209 -89.9999 31.2129 146.9468 90.0043 -148.7829 -33.049 -0.0037 -179.3007 179.9917 0.6947 178.6043 -59.9686 57.2346 57.6616 179.0887 -63.7081 -58.3167 63.1103 -179.6864 -179.9996 0.0132 -0.0039 -179.9911 60.198 179.9575 -60.2831 -61.7043 58.0551 177.8146 -177.9532 -58.1937 61.5657 0.0095 179.8765 -179.4464 0.4207 0.0054 -179.964 179.9927 0.0234 -0.0081 179.9612 -179.8751 0.0942 0.001 179.9878 179.9965 -0.0168 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 278 306 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 51 51 51 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= 22155 NPrTT= 111305 LenC2= 18648 LenP2D= 56409. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 318 RedAO= T EigKep= 5.67D-04 NBF= 318 NBsUse= 318 1.00D-06 EigRej= -1.00D+00 NBFU= 318 Using GEDIIS/GDIIS optimizer. local minimum Step number 29 out of a maximum of 278 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00064 0.00078 0.00304 0.00308 0.00375 0.00418 0.00499 0.00882 0.01161 0.01710 0.01740 0.01786 0.01828 0.01953 0.01986 0.02030 0.02081 0.02095 0.02118 0.02147 0.02155 0.02162 0.02181 0.02193 0.02198 0.02217 0.02243 0.02336 0.02436 0.02521 0.03215 0.03599 0.03922 0.04122 0.04247 0.04873 0.05089 0.05322 0.05474 0.05501 0.05566 0.05568 0.05613 0.05706 0.05730 0.05757 0.06000 0.06190 0.08047 0.08294 0.09296 0.12168 0.12721 0.15148 0.15848 0.15897 0.15947 0.15963 0.15988 0.15997 0.15999 0.16000 0.16002 0.16003 0.16006 0.16011 0.16019 0.16035 0.16055 0.16071 0.16203 0.16232 0.16400 0.16799 0.18819 0.21881 0.21956 0.22006 0.22105 0.22404 0.22579 0.23364 0.23495 0.23795 0.24534 0.24738 0.24836 0.24999 0.25408 0.25514 0.26240 0.27680 0.29124 0.29593 0.30448 0.30499 0.31021 0.32575 0.33345 0.33789 0.33866 0.33934 0.33942 0.33966 0.34017 0.34023 0.34051 0.34102 0.34136 0.34164 0.34227 0.34280 0.34284 0.34342 0.34609 0.35005 0.35250 0.35265 0.35292 0.35315 0.35510 0.35818 0.35933 0.37008 0.38985 0.41281 0.42197 0.43900 0.44724 0.44795 0.45110 0.45347 0.45717 0.46621 0.46810 0.46844 0.46991 0.47941 0.48113 0.48704 0.51504 0.53107 0.54364 0.60353 0.62782 0.83035 0.95568 RFO step: Lambda=-1.37151557D-08. 1 2 0.00084833 0.00000058 0.00000036 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 3.49204 3.41720 2.82164 2.46189 2.66021 2.63813 1.96390 2.55500 2.62807 2.75113 2.60798 1.92479 2.51716 2.64680 2.94610 2.93223 2.94794 2.75063 2.65318 2.73824 2.70780 2.08669 2.09151 2.08831 2.08637 2.08612 2.08918 2.08682 2.08815 2.09273 2.86806 2.70531 2.93848 2.08822 2.09335 2.05999 2.70584 2.91637 2.09437 2.09187 2.64371 2.07134 2.63907 2.06821 2.09137 2.08948 2.09037 2.69917 2.07088 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2.70530 2.93852 2.08822 2.09333 2.06000 2.70586 2.91637 2.09437 2.09186 2.64371 2.07134 2.63906 2.06821 2.09137 2.08948 2.09037 2.69918 2.07088 2.07051 2.60477 2.05367 2.05987 1.51824 2.22196 2.24247 2.05402 1.98670 2.04839 2.25860 1.98185 2.04271 1.95616 1.95362 1.83036 1.96241 1.88607 1.94249 1.88240 2.05353 2.16524 2.06442 2.04329 2.17016 2.06973 1.91657 1.98763 1.91727 1.87639 1.89015 1.87289 1.92020 1.91863 1.94001 1.88360 1.90008 1.90026 1.91795 1.91503 1.99391 1.88955 1.87816 1.86591 2.03949 2.15474 2.08848 1.95587 1.89373 1.92294 1.90103 1.90152 1.88741 2.09804 2.07533 2.10981 2.15750 2.04549 2.08019 2.16541 2.16201 1.95577 1.95954 1.90808 1.89359 1.91772 1.92013 1.86207 2.11011 2.10814 2.06494 2.11191 2.04080 2.13048 1.93950 1.94273 1.93587 1.88226 1.87909 1.88177 2.10218 2.09127 2.08974 2.09225 2.09929 2.09164 2.09845 1.98531 2.19942 1.93150 2.09229 2.25939 2.03356 2.07425 2.17537 -3.14155 -0.00048 0.00064 -3.14082 1.11434 -3.12815 -1.08738 -3.13389 0.00832 -3.14036 -0.00159 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Displacement|RMS Displacement| 0.000030 0.000005 0.004531 0.000848 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -3.483951e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 1 1 2 2 3 3 3 4 4 5 5 5 6 6 7 7 7 8 8 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 14 15 16 18 18 18 19 19 20 20 21 21 21 22 22 23 25 25 26 24 25 7 17 8 17 39 13 16 17 24 44 24 26 10 11 12 9 15 16 19 27 28 29 30 31 32 33 34 35 14 15 18 36 37 38 20 21 40 41 22 42 23 43 45 46 47 23 48 49 26 50 51 1.8479 1.8083 1.4931 1.3028 1.4077 1.396 1.0393 1.352 1.3907 1.4558 1.3801 1.0186 1.332 1.4006 1.559 1.5517 1.56 1.4556 1.404 1.449 1.4329 1.1042 1.1068 1.1051 1.1041 1.1039 1.1055 1.1043 1.105 1.1074 1.5177 1.4316 1.555 1.105 1.1078 1.0901 1.4319 1.5433 1.1083 1.107 1.399 1.0961 1.3965 1.0944 1.1067 1.1057 1.1062 1.4283 1.0959 1.0957 1.3784 1.0868 1.09 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 24 7 8 8 17 13 17 17 24 24 2 2 2 10 10 11 3 3 9 8 8 16 7 7 7 27 27 28 7 7 7 30 30 31 7 7 7 33 33 34 4 4 14 13 13 13 18 18 36 8 8 13 4 4 9 2 2 3 14 14 14 21 21 40 9 9 22 16 16 23 18 18 18 45 45 46 19 19 23 20 20 22 1 1 5 1 1 26 6 6 25 1 2 3 3 3 4 5 5 5 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 25 17 17 39 39 16 24 44 44 26 10 11 12 11 12 12 9 15 15 16 19 19 27 28 29 28 29 29 30 31 32 31 32 32 33 34 35 34 35 35 14 15 15 18 36 37 36 37 37 13 38 38 9 20 20 3 5 5 21 40 41 40 41 41 22 42 42 23 43 43 45 46 47 46 47 47 23 48 48 22 49 49 5 6 6 26 50 50 25 51 51 86.9896 127.3172 128.4855 117.6849 113.8296 117.3635 129.4095 113.5501 117.0391 112.0797 111.9254 104.8746 112.4445 108.067 111.2967 107.8503 117.6565 124.0605 118.2828 117.0727 124.34 118.5872 109.8088 113.8747 109.8544 107.514 108.2972 107.3124 110.0206 109.9311 111.1547 107.9208 108.8667 108.8746 109.8905 109.7197 114.2498 108.2614 107.6089 106.9084 116.8555 123.4573 119.66 112.0674 108.4998 110.1752 108.924 108.9475 108.1393 120.2088 118.9096 120.8812 123.6149 117.1982 119.1866 124.072 123.8739 112.054 112.2723 109.3269 108.4968 109.8759 110.0143 106.6877 120.9002 120.787 118.3128 121.0029 116.9309 122.0662 111.125 111.3099 110.9174 107.8455 107.6642 107.8176 120.4457 119.8203 119.7339 119.8773 120.2798 119.8429 120.2324 113.75 126.0176 110.6653 119.8791 129.4556 116.5153 118.8461 124.6386 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 25 25 24 24 17 17 17 7 7 17 17 39 39 8 8 39 39 16 16 13 13 24 24 44 44 17 17 44 44 26 26 24 24 2 2 2 11 11 11 12 12 12 2 2 2 10 10 10 12 12 12 2 2 2 10 10 10 11 11 11 3 3 15 15 3 3 9 9 8 8 19 19 8 8 16 16 4 4 4 15 15 15 4 4 14 14 13 13 13 36 36 36 37 37 37 4 4 9 9 14 14 14 40 40 40 41 41 41 9 9 42 42 16 16 43 43 19 19 48 48 1 1 50 1 1 1 1 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 16 16 16 16 18 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 22 22 22 22 25 25 25 24 24 25 25 7 7 7 17 17 8 8 8 8 17 17 17 17 13 13 16 16 17 17 17 17 24 24 24 24 24 24 26 26 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 9 9 9 9 15 15 15 15 16 16 16 16 19 19 19 19 14 14 14 14 14 14 15 15 15 15 18 18 18 18 18 18 18 18 18 20 20 20 20 21 21 21 21 21 21 21 21 21 22 22 22 22 23 23 23 23 23 23 23 23 26 26 26 5 6 26 50 10 11 12 3 5 9 15 9 15 2 5 2 5 14 15 9 20 2 3 2 3 1 6 1 6 1 5 25 51 27 28 29 27 28 29 27 28 29 30 31 32 30 31 32 30 31 32 33 34 35 33 34 35 33 34 35 16 19 16 19 13 38 13 38 4 20 4 20 22 42 22 42 18 36 37 18 36 37 8 38 8 38 21 40 41 21 40 41 21 40 41 23 43 23 43 45 46 47 45 46 47 45 46 47 23 48 23 48 22 49 22 49 20 49 20 49 6 51 6 -179.9999 -0.0302 0.0394 -179.9494 63.8572 -179.2188 -62.2909 -179.5542 0.4856 -179.9288 -0.0935 0.1593 -180.0054 0.1273 -179.9084 -179.958 0.0063 178.0658 -0.0268 0.0693 179.8917 -179.8182 0.2174 0.6232 -179.3413 179.7869 -0.1788 -0.6673 179.367 0.0127 179.9803 0.0203 179.9958 52.234 -68.378 171.2362 -62.7506 176.6374 56.2516 179.0056 58.3936 -61.9922 60.1188 -58.5983 -179.2149 179.6584 60.9414 -59.6753 -59.9168 -178.6338 60.7495 -49.1601 -168.0861 71.8924 -175.647 65.427 -54.5945 65.9788 -52.9471 -172.9686 179.8711 0.009 0.0261 -179.8361 -179.8221 -0.0664 0.0122 179.7679 -0.0693 -179.8885 179.801 -0.0181 179.903 -0.0919 0.0429 -179.9521 -93.4852 26.8237 145.033 84.6836 -155.0076 -36.7983 -0.0131 -179.764 -178.0548 2.1943 179.0424 -58.7507 57.2389 58.9806 -178.8125 -62.8229 -58.7731 63.4338 179.4234 -179.8501 0.1411 -0.0194 179.9718 60.2738 -179.5039 -59.457 -61.6209 58.6014 178.6483 -178.7923 -58.57 61.4769 -0.0303 179.9829 179.9648 -0.022 0.0328 -179.9797 -179.9579 0.0295 -0.008 -179.9955 179.9788 -0.0087 -0.0434 179.9827 179.944 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 342.3124999999998 AuxInfo=1/0/N:21,10,11,12,18,22,23,14,19,20,26,25,15,13,9,16,8,17,24,7,6,4,3,5,2,1/E:(2,3,4)/CRV:6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,25.2/rA:51SN2NN2NN2CC3C3CCCC3CC3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;s3;s8;s7;s7;s7;s4;s13;s8s13;s4s9;s2s3s5;s14;s9;s16;s18;s19;s20s22;s1s5s6;s1;s6s25;s10;s10;s10;s11;s11;s11;s12;s12;s12;s14;s14;s15;s3;s18;s18;s19;s20;s5;s21;s21;s21;s22;s23;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2244187 0.1251454 0.0933449 -13.96499 -10.01009 -10.00916 -9.94896 -9.94696 -9.94353 -9.94172 -9.92064 -9.92022 -9.90480 -9.89951 -9.89679 -9.89639 -9.89208 -9.88904 -9.88799 -9.88741 -9.87590 -9.87490 -9.87313 -9.86609 -7.75234 -5.77380 -5.76883 -5.76326 -0.96212 -0.91705 -0.87006 -0.85147 -0.83282 -0.78364 -0.77406 -0.73892 -0.71830 -0.70928 -0.69219 -0.67810 -0.66556 -0.63991 -0.62934 -0.62334 -0.61295 -0.57915 -0.57581 -0.55487 -0.55209 -0.53753 -0.51790 -0.50801 -0.49056 -0.48897 -0.47190 -0.45996 -0.44434 -0.44091 -0.43020 -0.42729 -0.41197 -0.40781 -0.40330 -0.40279 -0.38983 -0.38622 -0.38019 -0.37829 -0.37404 -0.37256 -0.35943 -0.35913 -0.35235 -0.34990 -0.33983 -0.32603 -0.32372 -0.31804 -0.31156 -0.30768 -0.30754 -0.30228 -0.30035 -0.29402 -0.28281 -0.28057 -0.27646 -0.26960 -0.26411 -0.25418 -0.22060 -0.21547 -0.20099 -0.19513 -0.18288 -0.17453 -0.07199 -0.05968 -0.02782 -0.02375 -0.01548 0.00249 0.02600 0.04769 0.06021 0.07263 0.08578 0.09476 0.10139 0.10375 0.10636 0.11038 0.11709 0.11872 0.12054 0.13319 0.13420 0.13565 0.13915 0.14295 0.14672 0.14963 0.15641 0.15829 0.16230 0.16402 0.16954 0.17451 0.17749 0.18240 0.19020 0.19337 0.19883 0.20324 0.20688 0.21360 0.21577 0.22231 0.22711 0.22952 0.23207 0.23588 0.24020 0.24260 0.25250 0.25615 0.25811 0.26225 0.26782 0.27037 0.27642 0.27778 0.28210 0.28650 0.28767 0.28956 0.29893 0.30252 0.30708 0.31428 0.31997 0.32292 0.32757 0.33002 0.33491 0.34104 0.34238 0.34744 0.34917 0.35372 0.35613 0.35864 0.36315 0.37060 0.37336 0.37644 0.37986 0.38751 0.38886 0.39394 0.39921 0.40150 0.40609 0.40704 0.42026 0.42297 0.42636 0.43347 0.43679 0.44163 0.44679 0.45396 0.45742 0.46890 0.47506 0.47824 0.49376 0.50084 0.50714 0.51115 0.51901 0.52329 0.54245 0.55217 0.55609 0.56116 0.57065 0.57997 0.59171 0.59742 0.60208 0.61652 0.61984 0.62964 0.63364 0.63844 0.66228 0.67270 0.68182 0.70067 0.70649 0.71044 0.72134 0.73165 0.73744 0.75925 0.77191 0.77602 0.78094 0.80441 0.81223 0.82386 0.82599 0.85738 0.86370 0.88179 0.89523 0.89798 0.91724 0.93973 0.94427 0.95301 0.96511 0.97670 0.98807 0.99246 1.01234 1.02634 1.02951 1.04389 1.05628 1.07263 1.07672 1.07901 1.09411 1.09801 1.10268 1.11463 1.11616 1.13161 1.13850 1.14837 1.14976 1.15398 1.15708 1.16324 1.18776 1.19290 1.20886 1.21802 1.25253 1.28254 1.28675 1.29207 1.30126 1.31878 1.34065 1.35460 1.38176 1.42568 1.45932 1.48780 1.50149 1.50429 1.54148 1.63821 5.05842 5.10058 5.19580 7.39011 22.32712 22.37665 22.43167 22.45362 22.49501 22.53404 22.54487 22.59074 22.59782 22.61511 22.62149 22.63147 22.64979 22.67599 22.67856 22.70309 22.71032 22.73577 22.79557 22.83241 31.48182 31.51423 31.55204 31.59806 31.62640 191.65771 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 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5PZ 6PX 6PY 6PZ 9 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 10 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 11 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 12 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 13 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 14 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 15 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 16 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 17 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 18 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 19 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 20 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 21 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 22 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 23 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 24 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 25 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 26 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 39 H 1S 2S 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 43 H 1S 2S 44 H 1S 2S 45 H 1S 2S 46 H 1S 2S 47 H 1S 2S 48 H 1S 2S 49 H 1S 2S 50 H 1S 2S 51 H 1S 2S 1 6.4380 -0.0884 0.0171 6.4387 -150.6023 -148.6348 -162.4385 -0.8765 2.9807 1.1651 3.2896 5.2570 -8.5466 -0.8765 2.9807 1.1651 11.4811 -78.9979 -13.4826 -21.4651 -42.4438 4.8670 -25.9591 -18.9729 -15.0823 -36.4736 -9364.2818 -5074.7098 -1433.3754 10.4037 212.8486 174.7124 23.9148 -37.5346 -14.1085 -2293.0337 -1840.4494 -1045.5614 -91.5516 105.9884 15.0835 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 342.3124999999998 AuxInfo=1/0/N:21,10,11,12,18,22,23,14,19,20,26,25,15,13,9,16,8,17,24,7,6,4,3,5,2,1/E:(2,3,4)/CRV:6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,25.2/rA:51SN2NN2NN2CC3C3CCCC3CC3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;s3;s8;s7;s7;s7;s4;s13;s8s13;s4s9;s2s3s5;s14;s9;s16;s18;s19;s20s22;s1s5s6;s1;s6s25;s10;s10;s10;s11;s11;s11;s12;s12;s12;s14;s14;s15;s3;s18;s18;s19;s20;s5;s21;s21;s21;s22;s23;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2114955 0.1313582 0.0838816 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= 305 306 307 307 307 MxSgAt= 51 MxSgA2= 51. 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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 51 51 51 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= 22155 NPrTT= 111305 LenC2= 18466 LenP2D= 55606. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 318 RedAO= T EigKep= 5.62D-04 NBF= 318 NBsUse= 318 1.00D-06 EigRej= -1.00D+00 NBFU= 318 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= 305 305 305 305 305 MxSgAt= 51 MxSgA2= 51. 1 Closed 1 0 1 -1446.80419991670 -1446.43349754607 0.370702370634 -1446.98641804449 -0.552920498424 -1444.70647393544 2.279944109046 -1447.22163741672 -2.515163481276 -1447.34162255681 -0.119985140088 -1447.39658288053 -0.054960323720 -1447.40104153299 -0.004458652461 -1447.40291089261 -0.001869359623 -1447.40302418561 -0.000113293001 -1447.40303298583 -0.000008800219 -1447.40295874875 0.000074237081 -1447.40295863831 0.000000110438 -1447.40295921310 -0.000000574790 -1447.40295950497 -0.000000291868 -1447.40295958641 -0.000000081440 -1447.40295959076 -0.000000004345 -1447.40295959111 -0.000000000354 -1447.40295959108 0.000000000032 -1447.40295959116 -0.000000000084 -1447.40295959 20 1.443276593702e+03 -8.272549926585e+03 2.938548253404e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=1302892477. IVT= 326476 IEndB= 326476 NGot= 4160749568 MDV= 2874087812 LenX= 2874087812 LenY= 2873986247 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= 50721 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 2.53291917e+00 -3.47815713e-02 6.72309278e-03 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 16 7 7 7 7 7 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 1 1 1 1 1 1 1 1 1 0.059276975 0.036959921 -0.009438815 -0.028931269 -0.012863581 0.007814414 -0.010729989 -0.010985815 -0.003898983 -0.020245335 0.021874470 0.013857233 0.020944826 -0.016308848 0.008562661 -0.010937566 -0.024487194 0.006524611 0.001083640 -0.007027721 0.005093543 0.034474596 0.037988301 0.004309883 0.020419555 -0.011632998 -0.006381722 0.017874484 0.012283675 -0.031732726 -0.002984382 0.005418715 0.000588904 0.004309596 0.033419762 0.011217070 -0.033963372 0.000857192 0.008492872 -0.006829081 0.000958057 0.006253273 0.018506036 -0.000725412 -0.004830444 0.002770784 0.000155581 0.000280214 -0.019241326 0.000898687 -0.006975750 0.000384510 0.000841862 -0.001209304 0.005369893 -0.017279311 -0.010092327 -0.023369678 -0.027178775 -0.012027407 -0.001761984 0.004049612 -0.000080715 0.024220515 -0.002441999 -0.004057923 -0.025585174 0.003789309 0.005510635 -0.050063348 0.016959196 -0.015838965 0.000795735 -0.036028602 0.019122084 0.002196650 -0.016729337 0.009602948 -0.002319516 -0.004311967 0.002298718 0.007904821 -0.002310211 0.003324826 0.000644621 0.003827648 -0.004117305 -0.003701397 0.000591346 0.004313643 -0.001728308 -0.003975682 -0.003616483 0.005479275 0.004268850 -0.001177154 -0.004461510 0.001194076 0.002274436 0.002917753 0.006793966 -0.000731630 0.002796208 -0.008631147 0.000744878 -0.005657295 -0.001862092 0.000267105 0.005297034 0.004919328 0.003109390 0.002974393 0.002401260 -0.000468216 0.013815862 -0.006181535 0.005358094 0.006431753 0.000882500 -0.003945286 -0.002301767 -0.005026071 -0.004201087 0.006313046 0.003098832 -0.000247114 -0.003761499 0.004103453 0.002807627 -0.003690298 0.014615385 -0.011817105 0.003376860 0.003659076 0.005909842 -0.002815381 0.006460824 -0.003199957 -0.006004809 -0.001593357 0.003937283 0.003313313 -0.004858791 -0.003305247 -0.004526937 -0.004233781 -0.001846817 0.002552573 -0.001673154 0.001152878 -0.000834089 -0.004923503 0.002509416 0.059276975 0.013292984 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1447.46464765342 -1447.46465628817 -0.000008634745 -1447.46465628324 0.000000004929 -1447.46465630754 -0.000000024296 -1447.46465631165 -0.000000004109 -1447.46465631276 -0.000000001115 -1447.46465631278 -0.000000000020 -1447.46465631285 -0.000000000067 -1447.46465631 8 1.441166863894e+03 -8.170830706480e+03 2.888997852304e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=1302892477. IVT= 326476 IEndB= 326476 NGot= 4160749568 MDV= 2874087812 LenX= 2874087812 LenY= 2873986247 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= 50721 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -88.145065 -14.069378 -14.029840 -14.029611 -13.979396 -13.969659 -10.028064 -10.022528 -9.959555 -9.957396 -9.953633 -9.952197 -9.925670 -9.924576 -9.912426 -9.901619 -9.900941 -9.900103 -9.899587 -9.898912 -9.892600 -9.883432 -9.883095 -9.880874 -9.878277 -9.872176 -7.746385 -5.768433 -5.764134 -5.757289 -0.947083 -0.903505 -0.859894 -0.842297 -0.824975 -0.761186 -0.755487 -0.733497 -0.709410 -0.702478 -0.690462 -0.665935 -0.660717 -0.634303 -0.624291 -0.615450 -0.606499 -0.585984 -0.567843 -0.550323 -0.545723 -0.536802 -0.514028 -0.502455 -0.492349 -0.479844 -0.464681 -0.449186 -0.442524 -0.441439 -0.424741 -0.420595 -0.405224 -0.402845 -0.399210 -0.396446 -0.391817 -0.381482 -0.377721 -0.374013 -0.366441 -0.363444 -0.356723 -0.351836 -0.351186 -0.350175 -0.339014 -0.332336 -0.328962 -0.316882 -0.311245 -0.308321 -0.305687 -0.303793 -0.302747 -0.293659 -0.282872 -0.274957 -0.271925 -0.270795 -0.263124 -0.261536 -0.219039 -0.210439 -0.206833 -0.203498 -0.182470 -0.179232 -0.077140 -0.061568 -0.049292 -0.033119 -0.021142 -0.002669 0.006076 0.024383 0.036971 0.058517 0.078906 0.089472 0.092316 0.099831 0.107045 0.108311 0.109628 0.112889 0.121762 0.122509 0.126479 0.133416 0.134555 0.138787 0.144063 0.147532 0.151027 0.154247 0.157415 0.164189 0.165963 0.170960 0.175960 0.179325 0.187024 0.187974 0.190586 0.191980 0.200939 0.210415 0.216135 0.221437 0.222757 0.223993 0.228005 0.229872 0.236927 0.237722 0.238771 0.249806 0.255326 0.258595 0.264189 0.267326 0.269282 0.270705 0.274156 0.274909 0.279905 0.281028 0.286569 0.290614 0.298515 0.304772 0.313098 0.313928 0.318433 0.318835 0.328124 0.335333 0.336151 0.339412 0.342635 0.349270 0.349869 0.356274 0.358877 0.363329 0.364004 0.367764 0.374055 0.376007 0.379747 0.382731 0.384967 0.386752 0.391759 0.397479 0.400045 0.406649 0.414450 0.418651 0.426524 0.430323 0.434798 0.439922 0.443187 0.451588 0.453603 0.466832 0.471009 0.485030 0.489810 0.497555 0.509057 0.521910 0.529668 0.535286 0.542939 0.552243 0.566079 0.568943 0.577598 0.584955 0.590341 0.594698 0.608641 0.610471 0.621660 0.631699 0.637697 0.642253 0.660707 0.692332 0.692817 0.694571 0.711547 0.723318 0.749321 0.759607 0.767369 0.776357 0.783386 0.786680 0.804690 0.809757 0.831610 0.854494 0.857437 0.877908 0.896199 0.914391 0.931457 0.944264 0.955879 0.957613 0.966526 0.976919 0.978053 0.995433 1.015846 1.024200 1.041867 1.056479 1.059936 1.066979 1.068586 1.072732 1.083965 1.093568 1.108227 1.117503 1.131568 1.134385 1.140660 1.142706 1.152881 1.157408 1.163129 1.189719 1.191995 1.214058 1.229227 1.235108 1.244232 1.259444 1.273429 1.281330 1.295652 1.304345 1.327201 1.384417 1.423446 1.438911 1.449273 1.486906 1.514511 1.535674 1.564981 1.631415 5.061106 5.083505 5.166333 7.365263 22.323873 22.359639 22.402232 22.435495 22.501748 22.516070 22.548765 22.582137 22.603002 22.610453 22.618864 22.634731 22.639632 22.645755 22.665946 22.690609 22.702006 22.721405 22.784855 22.799937 31.467798 31.491012 31.546271 31.591332 31.605412 191.617710 121.096006 22.044536 22.043670 22.046002 22.045241 22.045362 15.956576 15.959416 15.956200 15.962522 15.955649 15.955436 15.953514 15.954724 15.952719 15.953568 15.955626 15.956338 15.955753 15.956341 15.954021 15.951828 15.955784 15.958995 15.956193 15.957750 18.392297 17.454460 17.459678 17.471352 1.845254 1.886932 1.900537 1.866686 1.879325 1.565357 2.147050 1.570386 1.648790 1.477818 1.891698 1.579633 1.648588 1.336755 1.364155 1.622130 1.583567 1.742789 1.511679 1.549033 1.595799 1.559840 1.414175 1.520025 1.455241 1.529444 1.485687 1.432814 1.455202 1.292801 1.327070 1.189845 1.029090 1.191348 1.326277 1.267009 1.493093 1.194690 1.143711 1.273625 1.263244 1.031170 1.136706 1.231466 1.325379 1.715859 1.110830 1.251074 1.062792 1.156055 1.340370 1.321897 1.219688 1.366715 1.314174 1.193529 1.457469 1.676219 1.234183 1.116635 1.990543 1.361368 1.413037 1.238194 1.923143 1.662935 1.916085 1.540168 1.790709 1.611310 1.991725 1.476409 1.685116 1.773287 2.418823 2.032664 1.530374 1.687474 1.337050 1.230553 1.272894 1.163030 1.174185 1.145933 1.239599 1.660389 1.429280 1.361360 1.511350 1.350886 1.114014 1.258708 1.714718 1.210063 1.093115 1.144292 1.182497 0.818824 1.298599 1.374931 1.361764 1.351329 1.140556 1.224929 1.447954 1.428784 1.354270 1.549981 1.624787 1.682697 1.535489 1.383102 1.395965 1.532586 1.655799 1.501970 1.372571 1.363827 1.378430 1.428523 1.543501 1.202313 1.319151 1.381304 1.436347 1.504946 1.217664 1.159299 1.304562 1.809807 1.532664 1.508058 1.342719 1.725119 1.718774 1.590325 1.555357 1.344488 1.887491 1.487729 1.577513 1.834764 1.564235 1.716480 1.883471 1.932827 1.880257 1.646835 1.672340 2.036063 1.815019 1.701933 1.533662 1.872963 2.017567 1.902085 2.133678 2.102367 1.631548 2.328234 2.104035 2.281436 2.399162 1.898819 2.559594 2.307628 2.165465 2.153821 3.018943 1.857637 2.133304 2.563291 2.293883 2.118860 2.035542 2.191926 2.603526 2.077206 2.536761 2.161831 2.527121 2.600437 2.140223 2.714036 2.181251 2.204034 1.969926 2.493417 2.205125 3.545283 2.455320 2.478965 2.530729 2.077800 2.147308 2.374130 2.283757 2.645159 2.239954 2.549855 2.502997 2.343243 2.442739 2.478232 2.476850 2.912973 2.626998 3.051107 2.795662 2.864648 3.168999 2.840632 2.895675 2.984955 2.778985 2.808345 2.886920 2.935627 2.825449 2.809192 2.740510 2.784026 2.588032 2.913179 2.761137 2.638547 2.673395 2.657677 2.708146 2.596240 2.575804 2.723873 2.622822 2.656039 2.684304 2.875293 2.720120 2.920056 2.892721 2.920898 2.901305 2.578962 2.830972 2.812151 3.057877 2.756619 2.931563 2.789765 3.238185 3.347084 3.323475 3.596794 3.017973 3.248817 3.799425 3.630688 3.557865 3.996064 13.838111 13.891066 13.875051 29.761950 57.405399 57.400571 57.401427 57.396130 57.410441 57.414696 57.413765 57.399845 57.410861 57.398003 57.400473 57.383733 57.394807 57.398001 57.387580 57.383625 57.399235 57.401557 57.393773 57.379764 80.072219 80.070988 80.070736 80.068035 80.069517 495.221745 1.441166863894D+03 PT19476.400S 2017-05-16T03:10:22.000+02:00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 1 S 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|21 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|22 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|23 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|24 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|25 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|26 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|39 H 1S|2S|40 H 1S|2S|41 H 1S|2S|42 H 1S|2S|43 H 1S|2S|44 H 1S|2S|45 H 1S|2S|46 H 1S|2S|47 H 1S|2S|48 H 1S|2S|49 H 1S|2S|50 H 1S|2S|51 H 1S|2S 0.74101 1.22740 0.97683 1.00777 1.09381 0.80101 1.79606 1.79918 1.80397 0.21001 0.20956 0.20922 0.68554 0.72485 0.78099 0.36939 0.49556 0.71156 1.15963 0.83040 0.86678 0.76941 1.10644 0.91530 0.93831 0.22729 -0.03870 0.26727 1.15900 0.83121 0.80984 0.76391 0.96964 1.00101 1.18946 0.15933 0.16138 0.46179 1.15966 0.83033 0.88179 0.74231 1.15780 0.91448 0.88656 0.30595 -0.06373 0.18470 1.15899 0.83116 0.81699 0.72328 0.99122 1.04343 1.14271 0.10021 0.18614 0.35523 1.15965 0.83042 0.87959 0.73047 1.11915 0.92241 0.92743 0.27192 0.00866 0.22715 1.17434 0.81400 0.73978 0.43457 0.83846 0.85969 0.87797 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1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 15 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 16 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 17 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 18 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 19 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 20 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 21 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 22 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 23 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 24 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 25 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 26 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 39 H 1S 2S 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 43 H 1S 2S 44 H 1S 2S 45 H 1S 2S 46 H 1S 2S 47 H 1S 2S 48 H 1S 2S 49 H 1S 2S 50 H 1S 2S 51 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 1 S 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|21 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|22 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|23 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|24 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|25 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|26 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|39 H 1S|2S|40 H 1S|2S|41 H 1S|2S|42 H 1S|2S|43 H 1S|2S|44 H 1S|2S|45 H 1S|2S|46 H 1S|2S|47 H 1S|2S|48 H 1S|2S|49 H 1S|2S|50 H 1S|2S|51 H 1S|2S 0.74108 1.22730 0.97828 1.00723 1.09659 0.84275 1.79459 1.79304 1.80729 0.21089 0.21100 0.20947 0.65701 0.63840 0.81235 0.46739 0.39074 0.86543 1.15960 0.83045 0.86087 0.76776 1.10710 0.90571 0.95002 0.30065 -0.08734 0.32596 1.15905 0.83115 0.81282 0.78255 0.97200 1.01329 1.15774 0.15021 0.16593 0.46162 1.15976 0.83025 0.88526 0.76838 1.14096 0.92142 0.86242 0.30379 -0.12444 0.29169 1.15909 0.83117 0.81788 0.74272 0.98022 0.96817 1.18402 0.16312 0.07880 0.46111 1.15963 0.83052 0.87078 0.74566 1.10633 0.91097 0.94810 0.29881 -0.05047 0.33596 1.17447 0.81408 0.73590 0.48029 0.83901 0.81611 0.86701 0.05296 0.03141 0.01292 1.17438 0.81390 0.76335 0.31854 0.81968 0.96244 0.78798 -0.04816 -0.14255 0.19359 1.17429 0.81378 0.74544 0.50096 0.91140 0.90703 0.80396 -0.15274 -0.12794 0.22284 1.17427 0.81427 0.72534 0.70001 0.91143 0.91514 0.87457 0.22291 0.21007 0.14692 1.17428 0.81420 0.72755 0.69626 0.89730 0.87322 0.92783 0.18866 0.15562 0.24143 1.17427 0.81427 0.72520 0.70214 0.88867 0.91591 0.89622 0.18672 0.21248 0.18213 1.17445 0.81387 0.76884 0.39408 0.90865 0.89650 0.73906 0.07410 -0.13609 0.21931 1.17427 0.81413 0.72425 0.68197 0.91739 0.88128 0.87744 0.19112 0.11075 0.12450 1.17428 0.81390 0.74579 0.57303 0.91643 0.94731 0.78422 0.04635 0.20673 0.25291 1.17438 0.81378 0.76426 0.40292 0.90125 0.89799 0.77975 0.10442 0.03178 0.21677 1.17442 0.81437 0.77910 0.19362 0.79612 0.90192 0.83713 0.12813 -0.01535 0.16980 1.17432 0.81428 0.72718 0.60564 0.90406 0.87880 0.86215 0.16385 0.10716 0.12429 1.17434 0.81394 0.74864 0.56343 0.94050 0.91297 0.76987 0.15554 -0.01005 0.25507 1.17440 0.81399 0.75558 0.54897 0.94265 0.91502 0.75041 0.18844 0.01701 0.23307 1.17426 0.81437 0.72542 0.68286 0.90309 0.88014 0.91602 0.20523 0.16259 0.22665 1.17440 0.81409 0.75065 0.55333 0.91065 0.93469 0.76177 0.01979 0.13177 0.24562 1.17441 0.81413 0.75463 0.53801 0.91131 0.93744 0.75681 0.00972 0.09140 0.24608 1.17446 0.81425 0.77309 0.45443 0.83657 0.87472 0.82948 0.10979 0.00584 0.23318 1.17442 0.81423 0.75683 0.60871 0.93521 0.81537 0.85262 0.13168 0.09936 0.30777 1.17441 0.81425 0.77247 0.37760 0.88326 0.90140 0.80833 0.08439 0.08676 0.21719 0.50834 0.25013 0.51551 0.29573 0.50965 0.26968 0.51002 0.26456 0.51002 0.26457 0.51161 0.29351 0.50815 0.24883 0.50965 0.26725 0.51617 0.29726 0.51068 0.26868 0.51294 0.29038 0.50370 0.17555 0.46946 0.12889 0.51457 0.27986 0.51324 0.26371 0.51774 0.25084 0.51283 0.22584 0.49272 0.18034 0.51120 0.28132 0.51131 0.27146 0.51075 0.27486 0.51685 0.26206 0.51606 0.25658 0.50404 0.22133 0.51082 0.22675 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 S N N N N N 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 H H H H H H H H H 0.249161 -0.120785 -0.506349 -0.039504 -0.386298 -0.156289 0.175845 0.356840 0.200978 -0.694928 -0.696370 -0.698015 0.147232 -0.497091 -0.460961 -0.087292 0.220754 -0.361742 -0.324242 -0.339540 -0.690645 -0.296754 -0.233943 -0.105801 -0.496202 -0.120060 0.241538 0.188768 0.220679 0.225420 0.225411 0.194882 0.243014 0.223096 0.186568 0.220639 0.196685 0.320754 0.401645 0.205567 0.223043 0.231418 0.261333 0.326939 0.207477 0.217228 0.214391 0.221092 0.227357 0.274628 0.262426 0.00000 2.55407957e+00 7.64305117e-02 -4.21469870e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 6.4918 0.1943 -1.0713 6.5825 -153.1309 -139.7987 -169.4922 -2.5535 -0.7701 0.8239 1.0097 14.3419 -15.3516 -2.5535 -0.7701 0.8239 -19.1348 -69.4060 15.8943 4.6699 -29.5773 -12.5079 -44.5951 18.2300 0.9143 8.7798 -9692.9780 -6154.1852 -596.0589 246.6654 329.7642 397.2406 119.5589 434.2380 104.8492 -2399.2511 -1835.6058 -1266.8446 64.3196 69.6940 132.0664 0 -1447.4646563 5.419E-9 8.337E-6 0.7506856,10.66283,-11.4135157,-1.8984665,-0.5725231,0.6125538 C01 [X(C20H25N5S1)] 2.5540796 0.0764305 -0.4214699 @ 0.000006001 -0.000004508 0.000004493 -0.000020699 0.000014527 0.000030207 -0.000019710 0.000007337 0.000017078 0.000002367 -0.000001479 0.000000887 -0.000020571 0.000014078 -0.000013938 0.000001454 0.000006055 -0.000007977 0.000000189 -0.000012819 -0.000038813 0.000024997 0.000005214 -0.000010232 -0.000007008 -0.000009123 0.000008098 -0.000005470 0.000010079 0.000022193 -0.000009396 0.000010251 -0.000004652 0.000006108 -0.000000219 0.000021580 0.000001815 -0.000004717 0.000006327 0.000003232 0.000001455 0.000011298 -0.000010734 0.000006274 0.000002606 0.000004354 0.000009893 -0.000006298 0.000031255 -0.000023293 -0.000010199 -0.000004621 0.000004205 -0.000005245 -0.000002427 -0.000001390 -0.000003117 -0.000001232 -0.000012382 0.000001906 0.000000130 -0.000001060 -0.000000259 0.000006667 0.000002106 0.000000041 -0.000007526 0.000003532 0.000001108 -0.000003707 -0.000006113 0.000008295 -0.000000083 0.000006141 0.000000385 0.000001889 -0.000007714 -0.000004564 0.000002884 -0.000001221 -0.000007049 0.000004687 -0.000003327 -0.000007336 -0.000002415 -0.000000929 0.000000876 0.000002515 -0.000000613 0.000001003 0.000000963 -0.000003773 -0.000000254 0.000002028 -0.000001256 0.000000728 -0.000001265 -0.000001471 -0.000003414 0.000003838 -0.000000711 -0.000000060 -0.000001548 -0.000003864 -0.000014235 0.000000644 0.000000226 0.000000645 -0.000000145 -0.000001248 -0.000002387 0.000005924 0.000001313 -0.000005553 0.000003279 -0.000002382 -0.000000167 0.000000925 -0.000000763 0.000001565 -0.000000098 -0.000000959 0.000002759 -0.000000357 -0.000001711 0.000000054 -0.000000333 0.000003327 0.000001449 0.000002961 0.000003651 -0.000000724 0.000000557 0.000000761 0.000002282 -0.000000785 0.000001350 0.000001279 -0.000000675 0.000000249 0.000001917 -0.000000440 -0.000001213 -0.000001685 0.000001033 -0.000001004 0.000000949 -0.000000725 -0.000000992 -0.000004803 -0.000000724 0.000000230 0.000000953 342.3124999999998 AuxInfo=1/0/N:21,10,11,12,18,22,23,14,19,20,26,25,15,13,9,16,8,17,24,7,6,4,3,5,2,1/E:(2,3,4)/CRV:6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,25.2/rA:51SN2NN2NN2CC3C3CCCC3CC3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;s3;s8;s7;s7;s7;s4;s13;s8s13;s4s9;s2s3s5;s14;s9;s16;s18;s19;s20s22;s1s5s6;s1;s6s25;s10;s10;s10;s11;s11;s11;s12;s12;s12;s14;s14;s15;s3;s18;s18;s19;s20;s5;s21;s21;s21;s22;s23;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2035 CBGUSER 000051245 EM64L-G09RevD.01 16-May-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 147 C1[X(C20H25N5S)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 342.3124999999998 0 1 AuxInfo=1/0/N:21,10,11,12,18,22,23,14,19,20,26,25,15,13,9,16,8,17,24,7,6,4,3,5,2,1/E:(2,3,4)/CRV:6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,25.2/rA:51SN2NN2NN2CC3C3CCCC3CC3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;s3;s8;s7;s7;s7;s4;s13;s8s13;s4s9;s2s3s5;s14;s9;s16;s18;s19;s20s22;s1s5s6;s1;s6s25;s10;s10;s10;s11;s11;s11;s12;s12;s12;s14;s14;s15;s3;s18;s18;s19;s20;s5;s21;s21;s21;s22;s23;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-5245.inp" -scrdir="/scratch/" chk=000051245-Freq.chk nprocshared=4 mem=7GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000051245 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 32 14 14 14 14 14 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 1 1 1 1 1 1 1 1 1 31.9720718 14.0030740 14.0030740 14.0030740 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 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 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000437 0.000075 0.109637 0.024191 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.979534e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2393.2013961284 318 736 318 98 98 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 51 51 51 1.00e+00 60 F C20H25N5S C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 342.3124999999998 AuxInfo=1/0/N:21,10,11,12,18,22,23,14,19,20,26,25,15,13,9,16,8,17,24,7,6,4,3,5,2,1/E:(2,3,4)/CRV:6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,25.2/rA:51SN2NN2NN2CC3C3CCCC3CC3C3C3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;s3;s8;s7;s7;s7;s4;s13;s8s13;s4s9;s2s3s5;s14;s9;s16;s18;s19;s20s22;s1s5s6;s1;s6s25;s10;s10;s10;s11;s11;s11;s12;s12;s12;s14;s14;s15;s3;s18;s18;s19;s20;s5;s21;s21;s21;s22;s23;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2114955 0.1313582 0.0838816 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= 22155 NPrTT= 111305 LenC2= 18466 LenP2D= 55606. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 318 RedAO= T EigKep= 5.62D-04 NBF= 318 NBsUse= 318 1.00D-06 EigRej= -1.00D+00 NBFU= 318 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= 303 305 305 305 305 MxSgAt= 51 MxSgA2= 51. 1 Closed 1 0 1 -1446.90457070416 -1446.36663546043 0.537935243735 -1446.96858637463 -0.601950914202 -1444.52950409240 2.439082282229 -1447.23610112249 -2.706597030092 -1447.37031628956 -0.134215167067 -1447.45618697679 -0.085870687233 -1447.46255574802 -0.006368771230 -1447.46449549156 -0.001939743540 -1447.46470984997 -0.000214358404 -1447.46471768338 -0.000007833413 -1447.46454413524 0.000173548146 -1447.46455685315 -0.000012717916 -1447.46454793934 0.000008913817 -1447.46455881253 -0.000010873197 -1447.46455916615 -0.000000353615 -1447.46455917295 -0.000000006803 -1447.46455917349 -0.000000000541 -1447.46455917348 0.000000000015 -1447.46455917352 -0.000000000040 -1447.46455917 20 1.441167162015e+03 -8.170830997466e+03 2.888997880150e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 326368 IEndB= 326368 NGot= 939524096 MDV= 939315811 LenX= 939315811 LenY= 939214246 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= 51. Will process 52 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=1 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= 939523264 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= 720000000 NMat= 156 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= 156 NMatS0= 156 NMatT0= 0 NMatD0= 156 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 156 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 153 vectors produced by pass 0 Test12= 2.16D-14 1.00D-09 XBig12= 8.57D+02 1.22D+01. AX will form 153 AO Fock derivatives at one time. 153 vectors produced by pass 1 Test12= 2.16D-14 1.00D-09 XBig12= 3.01D+02 3.12D+00. 153 vectors produced by pass 2 Test12= 2.16D-14 1.00D-09 XBig12= 1.28D+00 1.55D-01. 153 vectors produced by pass 3 Test12= 2.16D-14 1.00D-09 XBig12= 1.15D-03 4.73D-03. 97 vectors produced by pass 4 Test12= 2.16D-14 1.00D-09 XBig12= 1.79D-07 3.35D-05. 16 vectors produced by pass 5 Test12= 2.16D-14 1.00D-09 XBig12= 2.01D-11 3.08D-07. 2 vectors produced by pass 6 Test12= 2.16D-14 1.00D-09 XBig12= 3.27D-15 7.00D-09. InvSVY: IOpt=1 It= 1 EMax= 7.11D-14 Solved reduced A of dimension 727 with 156 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 295.73 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 368.417 13.886 376.477 9.170 5.755 142.303 670.932 28.805 725.908 30.527 22.153 227.752 (Enter /mnt/data/applications/G09/g09/l716.exe) PT9310.400S 2017-05-16T03:49:46.000+02:00 -88.14505 -14.06938 -14.02984 -14.02961 -13.97941 -13.96967 -10.02806 -10.02254 -9.95955 -9.95739 -9.95364 -9.95219 -9.92568 -9.92457 -9.91243 -9.90162 -9.90095 -9.90010 -9.89959 -9.89891 -9.89260 -9.88343 -9.88310 -9.88087 -9.87827 -9.87217 -7.74637 -5.76842 -5.76412 -5.75728 -0.94708 -0.90351 -0.85990 -0.84230 -0.82498 -0.76119 -0.75548 -0.73349 -0.70941 -0.70248 -0.69046 -0.66594 -0.66072 -0.63429 -0.62429 -0.61545 -0.60650 -0.58598 -0.56784 -0.55032 -0.54573 -0.53681 -0.51403 -0.50246 -0.49235 -0.47984 -0.46468 -0.44919 -0.44252 -0.44144 -0.42474 -0.42059 -0.40522 -0.40285 -0.39920 -0.39644 -0.39182 -0.38148 -0.37772 -0.37402 -0.36644 -0.36344 -0.35672 -0.35183 -0.35118 -0.35017 -0.33901 -0.33234 -0.32897 -0.31688 -0.31125 -0.30832 -0.30568 -0.30380 -0.30275 -0.29366 -0.28287 -0.27495 -0.27193 -0.27080 -0.26313 -0.26154 -0.21904 -0.21044 -0.20684 -0.20350 -0.18247 -0.17924 -0.07714 -0.06157 -0.04929 -0.03313 -0.02114 -0.00267 0.00608 0.02438 0.03697 0.05851 0.07890 0.08947 0.09231 0.09983 0.10704 0.10831 0.10963 0.11289 0.12176 0.12251 0.12647 0.13340 0.13455 0.13878 0.14405 0.14752 0.15103 0.15421 0.15741 0.16420 0.16596 0.17095 0.17595 0.17931 0.18703 0.18796 0.19058 0.19197 0.20094 0.21040 0.21613 0.22144 0.22275 0.22399 0.22798 0.22987 0.23691 0.23770 0.23877 0.24982 0.25533 0.25859 0.26417 0.26732 0.26927 0.27067 0.27415 0.27490 0.27991 0.28101 0.28657 0.29061 0.29851 0.30480 0.31311 0.31394 0.31841 0.31883 0.32812 0.33532 0.33615 0.33939 0.34260 0.34928 0.34989 0.35625 0.35887 0.36331 0.36399 0.36779 0.37405 0.37600 0.37974 0.38274 0.38496 0.38677 0.39171 0.39747 0.40005 0.40663 0.41440 0.41866 0.42653 0.43033 0.43479 0.43990 0.44320 0.45158 0.45357 0.46682 0.47101 0.48507 0.48981 0.49755 0.50905 0.52194 0.52965 0.53527 0.54296 0.55225 0.56609 0.56896 0.57759 0.58496 0.59035 0.59469 0.60864 0.61048 0.62168 0.63170 0.63769 0.64225 0.66074 0.69233 0.69281 0.69455 0.71156 0.72331 0.74932 0.75960 0.76730 0.77638 0.78336 0.78667 0.80469 0.80974 0.83164 0.85450 0.85747 0.87790 0.89623 0.91440 0.93150 0.94426 0.95590 0.95760 0.96647 0.97689 0.97804 0.99544 1.01583 1.02419 1.04185 1.05648 1.05994 1.06696 1.06859 1.07273 1.08393 1.09356 1.10822 1.11751 1.13156 1.13439 1.14065 1.14269 1.15286 1.15743 1.16312 1.18968 1.19194 1.21408 1.22920 1.23513 1.24422 1.25946 1.27344 1.28131 1.29565 1.30434 1.32720 1.38438 1.42344 1.43890 1.44928 1.48689 1.51451 1.53564 1.56493 1.63132 5.06111 5.08351 5.16634 7.36527 22.32387 22.35964 22.40224 22.43548 22.50175 22.51607 22.54877 22.58214 22.60300 22.61046 22.61887 22.63474 22.63963 22.64575 22.66595 22.69061 22.70200 22.72140 22.78485 22.79993 31.46780 31.49101 31.54627 31.59132 31.60540 191.61772 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 S N N N N N 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 H H H H H H H H H 0.248988 -0.120607 -0.506289 -0.039411 -0.386338 -0.156370 0.176056 0.356985 0.201008 -0.694924 -0.696549 -0.697942 0.147294 -0.496986 -0.461041 -0.087487 0.220336 -0.361654 -0.324322 -0.339488 -0.690708 -0.296678 -0.233997 -0.105525 -0.496189 -0.120051 0.241535 0.188776 0.220641 0.225454 0.225451 0.194915 0.242963 0.223070 0.186546 0.220588 0.196633 0.320789 0.401641 0.205530 0.223014 0.231467 0.261326 0.326924 0.207480 0.217233 0.214399 0.221072 0.227386 0.274623 0.262431 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 S N N N N N C C C C C C C C C C C C C C C C C C C C 0.248988 -0.120607 -0.104648 -0.039411 -0.059414 -0.156370 0.176056 0.356985 0.201008 -0.043972 -0.050728 -0.045364 0.147294 -0.079766 -0.140251 -0.087487 0.220336 0.066890 -0.092855 -0.078161 -0.051596 -0.075607 -0.006611 -0.105525 -0.221565 0.142380 0.00000 2.48887647e+00 -6.85604914e-01 1.97937071e-01 3.68416521e+02 1.38864361e+01 3.76477431e+02 9.17033322e+00 5.75480270e+00 1.42302845e+02 -12.4276 -10.4850 -1.8856 -0.0006 -0.0005 0.0011 1.1980 11.5766 26.9597 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -11.6371 11.0192 26.6932 33.3478 42.5668 59.9465 61.6868 74.5284 80.8357 89.5258 121.3561 153.6194 170.5609 174.3977 182.1414 185.6454 213.6416 219.6591 232.2659 248.1636 257.7367 264.0169 269.2511 280.1073 289.5871 330.6063 357.3401 367.8423 409.0893 435.4036 445.5256 463.5320 472.6873 483.2112 501.3525 512.4793 525.4626 533.1183 545.4448 586.0917 599.9968 631.7953 640.7870 663.1573 664.8911 676.2082 698.7787 707.7051 742.0643 744.9206 765.8878 780.4830 791.6582 807.4425 815.2052 845.5151 856.6762 859.8379 866.0720 878.9018 893.3948 894.3810 898.6485 908.3528 942.1574 943.1130 959.6763 961.2000 986.5445 990.4355 1017.8500 1025.2086 1031.1602 1037.6152 1050.3113 1065.6016 1085.0379 1090.2794 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