Gaussian 09 GINC-KIMIK2077 CBGUSER 000131431 EM64L-G09RevD.01 16-Jul-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 355.2121031999997 0 1 AuxInfo=1/0/N:9,10,11,12,13,14,23,24,25,26,15,16,21,22,27,17,19,20,18,1,8,7,3,5,6,4,2/E:(7,8)(9,10)(11,12)(17,18)(24,25)/CRV:7.3,8.3,9.3,10.3,14.3,15.3,16.3,17.3,18.3,19.3,23.1,24.1,25.1,26.1/rA:50FOO1O1O1O1NNCCCCCCCCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;;;s9;s9;s10;s11;s12;;s15;s3s8s13;s2s4s14;s5s7s15;s6s7s16;s8;s21;s22;s22;s23;s24;s1s25s26;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s8;s21;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-26102.inp" -scrdir="/scratch/" chk=000131431.chk nprocshared=4 mem=3GB #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 000131431 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 19 16 16 16 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18.9984033 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 (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 1 2 2 3 4 5 6 7 7 8 8 8 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 16 16 16 21 21 21 22 22 23 23 24 24 25 25 26 26 27 7 18 17 18 19 20 19 20 17 21 44 10 11 28 29 12 30 31 13 32 33 14 34 35 17 36 37 18 38 39 16 19 40 41 20 42 43 22 45 46 23 24 25 47 26 48 27 49 27 50 1.3393 1.4118 1.3646 1.2291 1.2245 1.2214 1.2213 1.3586 1.3586 1.3846 1.4443 1.0152 1.5299 1.529 1.0969 1.0958 1.5314 1.0967 1.0959 1.5265 1.0968 1.0958 1.5258 1.0965 1.097 1.5144 1.0956 1.0958 1.5089 1.0954 1.0963 1.5302 1.5049 1.0939 1.0938 1.5049 1.0939 1.0939 1.5014 1.0965 1.0959 1.3949 1.3949 1.3947 1.0865 1.3949 1.0867 1.395 1.086 1.395 1.0858 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 7 2 2 19 17 17 21 10 10 10 11 11 28 9 9 9 12 12 30 9 9 9 13 13 32 10 10 10 14 14 34 11 11 11 17 17 36 12 12 12 18 18 38 16 16 16 19 19 40 15 15 15 20 20 42 3 3 8 2 2 4 5 5 7 6 6 7 8 8 8 22 22 45 21 21 23 22 22 25 22 22 26 23 23 27 24 24 27 1 1 25 2 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 18 19 20 20 21 44 44 11 28 29 28 29 29 12 30 31 30 31 31 13 32 33 32 33 33 14 34 35 34 35 35 17 36 37 36 37 37 18 38 39 38 39 39 19 40 41 40 41 41 20 42 43 42 43 43 8 13 13 4 14 14 7 15 15 7 16 16 22 45 46 45 46 46 23 24 24 25 47 47 26 48 48 27 49 49 27 50 50 25 26 26 112.0224 121.617 121.6155 116.6761 122.6712 119.8096 117.5029 111.34 109.6187 108.3383 109.658 110.6573 107.1255 111.2521 109.7021 108.747 109.5787 110.3035 107.165 111.2928 109.4318 109.8167 108.6672 111.0673 106.4277 112.4679 109.5374 109.3689 108.8097 109.7732 106.7164 110.8986 110.2264 110.5177 108.7162 108.7532 107.6433 112.486 110.7733 109.7881 108.4028 108.0928 107.1144 105.0676 111.3119 111.2826 109.8003 109.7902 109.5034 105.0755 111.2584 111.3037 109.8058 109.8065 109.5068 125.5067 121.6436 112.8449 126.3156 110.0108 123.6736 128.6098 124.9005 106.4869 128.62 124.897 106.4803 111.9804 109.5054 107.4962 110.3595 110.5216 106.8044 120.0148 119.988 119.9972 120.0059 120.8239 119.17 120.0017 120.7099 119.2883 119.9984 120.0329 119.9687 119.9946 120.0752 119.9295 120.0015 119.9963 120.0022 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 18 18 7 7 2 2 20 20 2 2 19 19 21 21 44 44 17 17 17 44 44 44 11 11 11 28 28 28 29 29 29 10 10 10 28 28 28 29 29 29 9 9 9 30 30 30 31 31 31 9 9 9 32 32 32 33 33 33 10 10 10 34 34 34 35 35 35 11 11 36 36 37 37 12 12 38 38 39 39 19 19 19 40 40 40 41 41 41 16 16 40 40 41 41 15 15 42 42 43 43 8 8 45 45 46 46 21 21 24 24 21 21 23 23 22 22 47 47 22 22 48 48 23 23 49 49 24 24 50 50 2 2 2 2 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 21 21 21 21 21 21 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 7 7 18 18 19 19 19 19 20 20 20 20 17 17 17 17 21 21 21 21 21 21 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 18 18 18 18 18 18 16 16 16 16 16 16 16 16 16 19 19 19 19 19 19 20 20 20 20 20 20 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 27 27 27 27 19 20 4 14 5 15 5 15 6 16 6 16 3 13 3 13 22 45 46 22 45 46 12 30 31 12 30 31 12 30 31 13 32 33 13 32 33 13 32 33 14 34 35 14 34 35 14 34 35 17 36 37 17 36 37 17 36 37 18 38 39 18 38 39 18 38 39 3 8 3 8 3 8 2 4 2 4 2 4 20 42 43 20 42 43 20 42 43 5 7 5 7 5 7 6 7 6 7 6 7 23 24 23 24 23 24 25 47 25 47 26 48 26 48 27 49 27 49 27 50 27 50 1 26 1 26 1 25 1 25 89.9984 -93.5945 -0.0199 -179.9991 0.8275 -178.5789 -175.7486 4.845 -0.849 178.5767 175.7272 -4.8471 0.0019 -179.2073 -178.4888 2.3019 89.9947 -32.7568 -148.4305 -91.4817 145.7668 30.0931 178.4162 -60.1723 56.7366 -60.0711 61.3404 178.2493 56.5117 177.9231 -65.168 -178.6728 61.2106 -55.2696 59.8373 -60.2793 -176.7595 -58.1227 -178.2393 65.2805 -178.7853 60.0848 -56.5476 59.7312 -61.3986 -178.0311 -58.0163 -179.1461 64.2215 58.3336 178.7805 -62.3527 178.9013 -60.6519 58.215 -64.353 56.0939 174.9607 57.4825 178.9788 -62.9239 179.0278 -59.4759 58.6215 -64.5263 56.97 175.0673 -119.25 59.9939 119.4107 -61.3454 2.4756 -178.2805 57.8438 -122.1361 -64.9939 115.0262 179.2225 -0.7574 -0.0036 -118.7757 118.7928 -118.7923 122.4356 0.0042 118.7576 -0.0144 -122.4459 177.9364 -2.6292 -62.2645 117.1699 58.1773 -122.3883 -177.912 2.6351 -58.1688 122.3783 62.2909 -117.162 -89.9643 89.9968 32.3013 -147.7377 150.2168 -29.8221 179.9762 -0.1918 0.0151 179.8471 -179.9777 -0.0413 -0.0167 179.9197 -0.0061 179.9889 -179.8409 0.1541 0.0092 -179.6901 -179.9281 0.3726 179.9934 -0.0013 -0.0017 -179.9964 -179.9949 -0.0002 -0.2951 179.6995 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 282 300 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 50 50 50 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= 21736 NPrTT= 111321 LenC2= 18656 LenP2D= 56742. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 316 RedAO= T EigKep= 6.69D-04 NBF= 316 NBsUse= 316 1.00D-06 EigRej= -1.00D+00 NBFU= 316 Using GEDIIS/GDIIS optimizer. local minimum Step number 51 out of a maximum of 282 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00069 0.00180 0.00200 0.00323 0.00338 0.00531 0.00631 0.00727 0.00986 0.01088 0.01349 0.01598 0.01859 0.01884 0.02095 0.02118 0.02157 0.02168 0.02169 0.02176 0.02214 0.02263 0.02366 0.02498 0.03061 0.03302 0.03438 0.03569 0.03594 0.03860 0.04078 0.04123 0.04498 0.04694 0.04792 0.04796 0.04896 0.04935 0.05113 0.05306 0.05454 0.05761 0.05935 0.06243 0.06608 0.07454 0.08309 0.08371 0.08541 0.08657 0.08768 0.08945 0.09034 0.09529 0.09916 0.10273 0.10430 0.11442 0.12158 0.12296 0.12509 0.13237 0.13693 0.14689 0.15677 0.15915 0.15932 0.15994 0.16508 0.18665 0.19387 0.21172 0.21963 0.21971 0.22417 0.22809 0.22816 0.23039 0.23806 0.24031 0.24120 0.24326 0.24708 0.25054 0.25261 0.25447 0.25711 0.25850 0.26692 0.28509 0.28905 0.29575 0.29673 0.29984 0.30344 0.30553 0.31066 0.31547 0.32047 0.32390 0.33045 0.33780 0.34014 0.34040 0.34052 0.34065 0.34075 0.34136 0.34155 0.34180 0.34190 0.34232 0.34311 0.34346 0.34372 0.34422 0.34472 0.34607 0.35168 0.35201 0.35297 0.35341 0.35757 0.37646 0.39381 0.40256 0.42494 0.42920 0.44296 0.45141 0.45396 0.46344 0.46556 0.47380 0.48406 0.49054 0.52643 0.55784 0.67951 0.88557 0.90608 0.94452 0.96076 3.55894 RFO step: Lambda=-1.68533168D-07. 1 2 3 0.00148681 0.00000139 0.00000000 0.00000088 0.00000011 0.00000011 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 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 D125 D126 D127 D128 D129 D130 2.67151 2.68259 2.78444 2.40607 2.33004 2.36740 2.35001 2.66579 2.69973 2.62331 2.78064 1.93828 2.91890 2.92053 2.09603 2.09538 2.92686 2.09543 2.09406 2.91834 2.09509 2.09574 2.93764 2.09096 2.08822 2.90232 2.09654 2.08844 2.86080 2.09232 2.08568 2.93708 2.88831 2.08490 2.08494 2.89129 2.08584 2.08372 2.87577 2.09418 2.09646 2.68073 2.68047 2.66884 2.06937 2.67209 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1.99597 1.83814 1.92266 1.93807 1.90451 1.85911 2.12299 2.08871 2.07117 2.11399 2.08093 2.08814 2.11710 2.08702 2.07907 2.06250 2.12360 2.09708 2.05862 2.12632 2.09824 2.07167 2.06860 2.14278 1.63495 -1.58235 0.06762 -3.05804 -0.06818 3.06664 -3.13801 -0.00319 0.08201 -3.04875 -3.13146 0.02097 -0.09465 2.98281 3.11591 -0.08982 2.39160 0.25902 -1.73929 -0.81667 -2.94926 1.33563 2.97642 -1.14218 0.87131 -1.16234 1.00224 3.01573 0.87237 3.03695 -1.23274 -3.06849 1.10707 -0.89633 1.06070 -1.04692 -3.05032 -0.97203 -3.07966 1.20013 -2.74121 1.41893 -0.63252 1.37702 -0.74603 -2.79748 -0.66099 -2.78405 1.44770 1.16795 -2.99275 -0.96414 -2.99703 -0.87455 1.15406 -0.98641 1.13607 -3.11851 0.95755 3.06448 -1.13040 3.10434 -1.07192 1.01639 -1.15803 0.94890 3.03721 -2.71913 0.48588 1.40863 -1.66954 -0.54577 2.65924 0.84363 -2.28014 -1.28104 1.87837 2.98239 -0.14138 0.02776 -2.03803 2.11314 -2.05134 2.16605 0.03404 2.09794 0.03215 -2.09986 3.11867 -0.01584 -1.03817 2.11051 0.99892 -2.13559 3.12413 -0.02904 -1.04454 2.08548 0.99062 -2.16255 -0.67878 2.49010 1.39827 -1.71603 -2.84082 0.32806 -3.13275 0.02614 -0.01817 3.14072 3.12171 -0.01790 0.00659 -3.13302 0.01188 -3.13054 3.13611 -0.00632 0.01072 -3.13154 -3.13285 0.00808 -3.11730 0.00642 0.02511 -3.13436 3.10623 -0.01752 -0.03471 3.12472 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000114 0.000020 0.007727 0.001487 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -3.298288e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 1 2 2 3 4 5 6 7 7 8 8 8 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 16 16 16 21 21 21 22 22 23 23 24 24 25 25 26 26 27 7 18 17 18 19 20 19 20 17 21 44 10 11 28 29 12 30 31 13 32 33 14 34 35 17 36 37 18 38 39 16 19 40 41 20 42 43 22 45 46 23 24 25 47 26 48 27 49 27 50 1.4137 1.4196 1.4735 1.2732 1.233 1.2528 1.2436 1.4107 1.4286 1.3882 1.4715 1.0257 1.5446 1.5455 1.1092 1.1088 1.5488 1.1089 1.1081 1.5443 1.1087 1.109 1.5545 1.1065 1.105 1.5358 1.1094 1.1052 1.5139 1.1072 1.1037 1.5542 1.5284 1.1033 1.1033 1.53 1.1038 1.1027 1.5218 1.1082 1.1094 1.4186 1.4184 1.4123 1.0951 1.414 1.0965 1.406 1.0941 1.4047 1.0941 -DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 7 2 2 19 17 17 21 10 10 10 11 11 28 9 9 9 12 12 30 9 9 9 13 13 32 10 10 10 14 14 34 11 11 11 17 17 36 12 12 12 18 18 38 16 16 16 19 19 40 15 15 15 20 20 42 3 3 8 2 2 4 5 5 7 6 6 7 8 8 8 22 22 45 21 21 23 22 22 25 22 22 26 23 23 27 24 24 27 1 1 25 2 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 18 19 20 20 21 44 44 11 28 29 28 29 29 12 30 31 30 31 31 13 32 33 32 33 33 14 34 35 34 35 35 17 36 37 36 37 37 18 38 39 38 39 39 19 40 41 40 41 41 20 42 43 42 43 43 8 13 13 4 14 14 7 15 15 7 16 16 22 45 46 45 46 46 23 24 24 25 47 47 26 48 48 27 49 49 27 50 50 25 26 26 112.8953 121.6836 121.8358 116.3463 119.9976 121.6138 118.2768 111.9853 110.7368 108.4372 109.7672 109.1867 106.5583 113.1922 110.2802 106.9461 110.2418 109.4477 106.4574 113.8875 109.1091 109.0159 108.0195 110.9162 105.541 112.7817 110.7712 109.2481 108.3589 108.5608 106.9281 118.7336 109.5654 110.4176 105.7825 105.6409 105.8827 112.3058 110.076 111.6387 108.282 106.5691 107.7746 106.3021 112.9312 112.7298 108.7444 108.3565 107.6345 106.2789 112.5737 113.1698 108.2883 108.8871 107.5032 121.4474 120.3696 118.0796 121.6517 107.9228 130.4179 125.4297 128.7882 105.7807 124.8898 129.8388 105.268 114.3646 105.3106 110.171 111.0283 109.1294 106.5161 121.6271 119.6852 118.6691 121.1237 119.2261 119.6431 121.2984 119.5848 119.1168 118.1739 121.6736 120.1525 117.9553 121.8249 120.2198 118.6982 118.5267 122.7676 -DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 18 18 7 7 2 2 20 20 2 2 19 19 21 21 44 44 17 17 17 44 44 44 11 11 11 28 28 28 29 29 29 10 10 10 28 28 28 29 29 29 9 9 9 30 30 30 31 31 31 9 9 9 32 32 32 33 33 33 10 10 10 34 34 34 35 35 35 11 11 36 36 37 37 12 12 38 38 39 39 19 19 19 40 40 40 41 41 41 16 16 40 40 41 41 15 15 42 42 43 43 8 8 45 45 46 46 21 21 24 24 21 21 23 23 22 22 47 47 22 22 48 48 23 23 49 49 24 24 50 2 2 2 2 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 21 21 21 21 21 21 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 7 7 18 18 19 19 19 19 20 20 20 20 17 17 17 17 21 21 21 21 21 21 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 18 18 18 18 18 18 16 16 16 16 16 16 16 16 16 19 19 19 19 19 19 20 20 20 20 20 20 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 27 27 27 19 20 4 14 5 15 5 15 6 16 6 16 3 13 3 13 22 45 46 22 45 46 12 30 31 12 30 31 12 30 31 13 32 33 13 32 33 13 32 33 14 34 35 14 34 35 14 34 35 17 36 37 17 36 37 17 36 37 18 38 39 18 38 39 18 38 39 3 8 3 8 3 8 2 4 2 4 2 4 20 42 43 20 42 43 20 42 43 5 7 5 7 5 7 6 7 6 7 6 7 23 24 23 24 23 24 25 47 25 47 26 48 26 48 27 49 27 49 27 50 27 50 1 26 1 26 1 25 1 93.7526 -90.6138 3.8999 -175.2002 -3.9485 175.6409 -179.8093 -0.22 4.674 -174.7172 -179.4719 1.1368 -5.4187 170.8972 178.4929 -5.1912 136.9983 14.8312 -99.6613 -46.784 -168.951 76.5565 170.5298 -65.4426 49.9189 -66.593 57.4345 172.7961 49.9864 174.0139 -70.6245 -175.8835 63.3534 -51.4384 60.6916 -60.0715 -174.8633 -55.7766 -176.5397 68.6685 -157.004 81.3505 -36.1845 78.9474 -42.6981 -160.233 -37.8235 -159.469 82.996 66.8786 -171.5179 -55.2731 -171.7509 -50.1474 66.0974 -56.5403 65.0632 -178.692 54.8924 175.6186 -64.7348 177.893 -61.3809 58.2658 -66.3187 54.4075 174.0542 -155.7347 27.9082 80.7727 -95.5845 -31.2181 152.4247 48.2251 -130.7688 -73.5298 107.4764 170.7661 -8.2277 1.4314 -116.9557 120.8896 -117.7295 123.8833 1.7286 120.0036 1.6165 -120.5382 178.7846 -0.7861 -59.3499 121.0794 57.3721 -122.1986 179.1226 -1.5277 -59.7001 119.6497 56.9059 -123.7444 -38.9232 142.6644 80.0663 -98.3461 -162.8231 18.7645 -179.4658 1.5127 -1.0378 179.9407 178.8277 -1.0577 0.3683 -179.5171 0.6861 -179.3748 179.7035 -0.3573 0.62 -179.4115 -179.4941 0.4744 -178.6299 0.3591 1.43 -179.581 177.99 -1.0007 -1.979 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 355.2121031999997 AuxInfo=1/0/N:9,10,11,12,13,14,23,24,25,26,15,16,21,22,27,17,19,20,18,1,8,7,3,5,6,4,2/E:(7,8)(9,10)(11,12)(17,18)(24,25)/CRV:7.3,8.3,9.3,10.3,14.3,15.3,16.3,17.3,18.3,19.3,23.1,24.1,25.1,26.1/rA:50FOO1O1O1O1NNCCCCCCCCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;;;s9;s9;s10;s11;s12;;s15;s3s8s13;s2s4s14;s5s7s15;s6s7s16;s8;s21;s22;s22;s23;s24;s1s25s26;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s8;s21;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.385520 0.000000 6.880449 7.166639 0.000000 6.648424 2.311044 8.285441 0.000000 4.729885 2.871628 6.510388 3.633228 0.000000 5.132692 2.871716 9.849208 3.724644 4.609352 0.000000 4.389065 1.411776 7.877107 2.638921 2.325621 2.325618 0.000000 6.314334 6.357395 2.324783 7.319840 4.860536 8.895875 6.701752 0.000000 6.442151 4.572970 3.515267 5.094641 4.602614 7.444402 5.516816 3.498431 0.000000 6.329791 3.457116 4.981067 3.621112 3.973592 6.279005 4.463624 4.605227 1.529921 0.000000 7.347706 5.549823 3.449167 5.756665 4.821715 8.364494 6.240514 2.929743 1.528990 2.526058 0.000000 5.788970 2.873672 5.617057 3.497892 4.452756 5.563687 4.186394 5.572544 2.526720 1.531396 3.886649 0.000000 7.836446 6.777725 2.399343 7.227505 5.894895 9.592347 7.453550 2.416308 2.522530 3.882795 1.526508 5.048730 0.000000 6.163949 2.355414 7.093927 2.413515 4.553914 4.592496 3.639170 6.809676 3.894279 2.541531 5.067007 1.525846 6.380556 0.000000 5.203860 3.657286 8.817997 4.196818 2.420662 3.593388 2.295842 7.138877 6.904935 6.043867 7.210238 6.181096 8.314381 5.769097 0.000000 5.329166 3.657221 9.792324 4.223167 3.593392 2.420550 2.295765 8.330170 7.683877 6.661348 8.215507 6.472918 9.388164 5.779113 1.530175 0.000000 6.862659 6.670459 1.229079 7.572762 5.687084 9.383425 7.271834 1.384619 2.964690 4.367297 2.504536 5.279124 1.514351 6.673491 8.053232 9.129445 0.000000 5.715555 1.364610 7.495413 1.224541 3.448770 3.501644 2.302182 6.747954 4.415866 3.008558 5.336316 2.523075 6.721295 1.508856 4.336729 4.350634 6.916324 0.000000 4.563005 2.418671 7.510000 3.260842 1.221373 3.485946 1.358610 5.997800 5.432290 4.575643 5.850537 4.721328 6.991065 4.469583 1.504864 2.408998 6.772220 3.144153 0.000000 4.776580 2.418651 9.154611 3.312018 3.486017 1.221260 1.358609 7.989198 6.832753 5.726703 7.593932 5.279506 8.809455 4.489205 2.409146 1.504890 8.591482 3.173196 2.312788 0.000000 5.630419 6.635946 2.886137 7.934779 5.058188 8.919013 6.834293 1.444259 4.561377 5.554098 4.277211 6.280401 3.793832 7.464422 7.088458 8.255969 2.482349 7.284737 6.094433 8.013710 0.000000 4.129043 5.588072 3.540224 7.194799 4.304951 7.691990 5.761448 2.441970 4.486473 5.206814 4.649369 5.627290 4.553398 6.693065 6.154155 7.166839 3.298354 6.436876 5.156988 6.854485 1.501376 0.000000 3.637929 5.596802 3.450475 7.441545 5.022514 7.683396 6.001283 3.279744 4.551403 5.311572 5.084893 5.397520 4.947420 6.535405 6.783766 7.565957 3.639535 6.506269 5.696691 7.029731 2.509034 1.394939 0.000000 3.638017 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2.0412 -10.0750 -6.6771 -41.5814 -9177.6417 -3985.7319 -1407.3305 -45.2315 133.1916 -70.0289 -77.2722 25.9111 26.7996 -1965.7589 -1537.4230 -876.4505 -47.5449 -24.5149 48.5979 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 355.2121031999997 AuxInfo=1/0/N:9,10,11,12,13,14,23,24,25,26,15,16,21,22,27,17,19,20,18,1,8,7,3,5,6,4,2/E:(7,8)(9,10)(11,12)(17,18)(24,25)/CRV:7.3,8.3,9.3,10.3,14.3,15.3,16.3,17.3,18.3,19.3,23.1,24.1,25.1,26.1/rA:50FOO1O1O1O1NNCCCCCCCCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;;;s9;s9;s10;s11;s12;;s15;s3s8s13;s2s4s14;s5s7s15;s6s7s16;s8;s21;s22;s22;s23;s24;s1s25s26;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s8;s21;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.357250 0.000000 8.089698 6.982907 0.000000 7.204424 2.366033 8.532609 0.000000 5.660378 2.889594 5.385988 3.769850 0.000000 4.436467 2.896157 9.258803 3.592430 4.710063 0.000000 4.618949 1.419567 7.144756 2.686385 2.368208 2.370638 0.000000 6.506022 5.151790 2.322174 6.595583 3.142687 7.251209 5.048602 0.000000 7.951302 4.075261 4.273490 5.078969 3.726914 6.939265 4.871981 3.497177 0.000000 8.040511 3.298628 5.743722 3.787454 3.642913 6.158785 4.271255 4.584193 1.544618 0.000000 8.505395 4.977322 3.780308 5.679773 3.664167 7.710427 5.437749 2.999541 1.545477 2.561584 0.000000 7.664071 2.808434 6.572530 3.625210 4.325525 5.531232 4.121792 5.456582 2.582442 1.548829 3.946589 0.000000 8.735193 6.056378 2.440747 7.060761 4.463309 8.683052 6.396843 2.508587 2.589666 3.954400 1.544317 5.160446 0.000000 7.638642 2.415737 7.868871 2.496510 4.558837 4.652558 3.707719 6.444020 3.927971 2.584581 5.083741 1.554530 6.422259 0.000000 4.408798 3.712228 7.271034 4.386915 2.510880 3.690131 2.344958 4.980632 6.137804 5.869965 6.167444 6.156584 6.829129 5.907090 0.000000 3.892074 3.719710 8.451292 4.357615 3.694764 2.514996 2.352258 6.229376 7.000823 6.533976 7.298704 6.473515 8.057383 5.942174 1.554236 0.000000 7.673318 5.972190 1.273237 7.359092 4.239661 8.335981 6.121412 1.388197 3.282561 4.666768 2.650318 5.626878 1.535843 6.843112 6.302357 7.524763 0.000000 6.740164 1.473461 7.805645 1.233003 3.559400 3.511852 2.411180 6.024210 4.265217 3.024400 5.133229 2.548490 6.457782 1.513871 4.533426 4.534939 6.701080 0.000000 4.830445 2.471592 6.367566 3.412512 1.252773 3.587233 1.410675 4.113588 4.663983 4.350542 4.837496 4.669183 5.652944 4.563165 1.528427 2.466854 5.304646 3.312120 0.000000 4.118582 2.489119 8.343493 3.327878 3.601781 1.243573 1.428637 6.229994 6.276266 5.627150 6.859766 5.291430 7.773758 4.624096 2.467737 1.530004 7.386194 3.300547 2.412428 0.000000 5.744529 5.739081 2.796689 7.387595 3.783982 7.371313 5.396519 1.471450 4.822573 5.839050 4.467768 6.509146 3.869690 7.391685 4.928481 6.110112 2.476847 6.831897 4.438789 6.339405 0.000000 4.222926 5.021658 4.074789 6.872844 3.535643 6.212595 4.529197 2.515668 5.217770 5.961304 5.220538 6.326480 4.967324 6.994823 4.068113 4.998644 3.688815 6.301099 3.762811 5.244591 1.521794 0.000000 3.707589 4.031558 4.485021 6.147506 3.404804 5.324857 3.796334 2.998162 4.682577 5.273721 5.100570 5.334355 5.104770 5.974301 4.058859 4.674006 4.016752 5.406243 3.455720 4.530517 2.567553 1.418583 0.000000 3.704839 5.783725 5.261831 7.515651 4.265353 6.361510 4.999372 3.736045 6.547568 7.163446 6.479208 7.487185 6.241461 7.968966 3.966300 4.783145 4.951571 7.091119 4.197499 5.383691 2.542803 1.418445 2.440298 0.000000 2.425795 3.932112 5.873830 6.116511 4.028271 4.483751 3.573164 4.371735 5.654873 5.963154 6.255966 5.718308 6.432098 6.069460 3.947489 4.085407 5.416235 5.401622 3.621691 3.885069 3.867314 2.465370 1.412288 2.829388 0.000000 2.422466 5.740337 6.493234 7.515328 4.797004 5.697455 4.855379 4.917692 7.296307 7.709492 7.441524 7.791379 7.380984 8.067490 3.866191 4.224726 6.152193 7.113645 4.355234 4.874020 3.853628 2.468866 2.833827 1.414008 2.467369 0.000000 1.413703 4.869902 6.714324 6.829200 4.657108 4.713958 4.154075 5.132988 6.877584 7.147810 7.307479 6.974159 7.423882 7.170356 3.831510 3.828313 6.306426 6.305083 4.057042 4.086390 4.331098 2.809545 2.417977 2.415515 1.406036 1.404668 0.000000 8.688197 4.898242 4.411466 5.924266 4.819803 7.770843 5.831153 4.195460 1.109171 2.197576 2.185919 2.901424 2.849967 4.399458 7.200811 8.008447 3.660413 5.032696 5.723899 7.203776 5.484212 5.954625 5.365190 7.336504 6.336936 8.095771 7.628012 0.000000 6.962245 3.644592 3.849449 5.128188 3.357263 6.392646 4.365236 2.920432 1.108827 2.167644 2.178160 2.735664 2.802623 4.038915 5.604596 6.415353 2.931993 4.211286 4.180547 5.718801 4.060792 4.285999 3.637152 5.639183 4.616691 6.336490 5.872761 1.777854 0.000000 9.120435 4.209218 6.370687 4.178009 4.474416 6.980350 5.166864 5.379520 2.191513 1.108855 2.860832 2.194727 4.311619 2.998026 6.707597 7.390245 5.302040 3.613877 5.221903 6.488346 6.721794 6.968997 6.353879 8.169189 7.067594 8.760250 8.234977 2.527176 3.092154 0.000000 7.572031 2.811244 5.891794 3.052280 2.754911 5.542896 3.511271 4.341913 2.147461 1.108130 2.684213 2.183964 4.127854 2.670039 4.932184 5.663108 4.706167 2.520806 3.448830 4.882565 5.532210 5.573591 5.003384 6.649031 5.644377 7.167723 6.690078 3.080675 2.532017 1.775875 0.000000 9.543013 5.664285 4.584793 5.996208 4.470721 8.426066 6.191480 4.034220 2.177041 2.826060 1.108676 4.302628 2.161793 5.375548 6.962221 8.087196 3.553783 5.555745 5.632831 7.612992 5.504932 6.308045 6.196822 7.538280 7.320224 8.504932 8.371793 2.512057 3.090315 2.676604 3.042295 0.000000 8.029057 4.570793 4.173210 5.105526 2.793776 7.124806 4.786793 2.784543 2.176084 2.730239 1.109018 4.139797 2.199475 5.005872 5.261925 6.474900 2.919453 4.737298 4.013638 6.179315 4.184965 4.836783 4.837322 5.961384 5.933309 6.898639 6.848279 3.094554 2.560419 3.124896 2.381617 1.765769 0.000000 8.540487 3.841659 7.006248 4.517316 5.387215 6.438144 5.195908 6.202146 3.023977 2.199707 4.442927 1.106488 5.575096 2.173571 7.259426 7.542569 6.166070 3.484662 5.771711 6.309206 7.294640 7.191484 6.167145 8.408860 6.564098 8.730232 7.873286 2.933880 3.323345 2.444518 3.086069 4.637839 4.848635 0.000000 6.791018 2.506674 6.102532 4.028945 4.137726 5.171714 3.803454 5.010932 2.659077 2.179088 4.103817 1.105041 5.085954 2.175150 5.834154 6.101983 5.259879 2.834630 4.391467 4.930168 5.894288 5.576859 4.463119 6.740320 4.788372 6.985296 6.100113 2.991335 2.355704 3.080384 2.668746 4.697800 4.297219 1.776926 0.000000 9.452388 6.870700 2.850853 7.660367 4.952816 9.421650 7.080871 3.016554 3.531560 4.740909 2.182499 6.073942 1.109440 7.250570 7.244307 8.583319 2.125220 7.195628 6.187998 8.441163 4.271233 5.527446 5.885191 6.679368 7.236316 7.907846 8.110439 3.809201 3.844344 4.949135 4.789528 2.427764 2.568480 6.501550 6.089193 0.000000 9.351906 6.630516 2.545161 7.712267 5.390858 9.347193 7.139921 3.336135 2.816669 4.276224 2.190226 5.341852 1.105156 6.742056 7.773487 8.923655 2.120240 7.002268 6.535284 8.523302 4.580942 5.658776 5.666986 6.990114 6.976717 8.102941 8.059945 2.628299 3.095162 4.537016 4.702290 2.542655 3.114562 5.548111 5.261407 1.767292 0.000000 7.556712 2.755456 8.507475 3.107760 5.326301 4.496118 4.077958 7.149343 4.730139 3.536224 6.011488 2.196391 7.260729 1.107211 6.396242 6.191453 7.566004 2.137600 5.153484 4.743447 7.976526 7.428785 6.271251 8.354254 6.160146 8.298331 7.256863 5.081883 4.691858 3.980208 3.708164 6.359241 5.985626 2.520057 2.477524 8.154475 7.509947 0.000000 8.653129 3.349631 8.534284 2.634621 5.182758 5.386863 4.499073 7.142705 4.393622 2.898477 5.406208 2.213607 6.846533 1.103693 6.571671 6.640079 7.463568 2.112557 5.258859 5.375756 8.194585 7.904135 6.965262 8.879576 7.117122 9.026300 8.184663 4.798318 4.740910 2.899733 2.993039 5.480666 5.333791 2.521551 3.104664 7.583491 7.148364 1.786100 0.000000 5.424831 4.400972 7.723988 4.552899 2.849878 4.399051 3.088067 5.406864 6.553843 6.219249 6.380286 6.682943 7.089099 6.368271 1.103283 2.229150 6.695338 4.945478 2.153390 3.225003 5.452798 4.817422 4.988572 4.672245 5.013005 4.709918 4.858126 7.651922 6.171233 6.929080 5.188856 7.059109 5.371068 7.787377 6.512920 7.358423 8.098738 6.962433 6.884411 0.000000 3.964854 4.365825 6.811752 5.370304 2.833131 4.418523 3.091891 4.594017 6.361797 6.352137 6.302989 6.689779 6.719448 6.643213 1.103305 2.226674 5.972522 5.370268 2.148374 3.239217 4.249120 3.319140 3.588387 2.973385 3.549755 2.934802 3.211584 7.392719 5.714179 7.248828 5.489892 7.186635 5.438911 7.773141 6.240279 7.105036 7.664580 7.115759 7.383033 1.781021 0.000000 2.993892 4.354550 8.649869 5.322518 4.392228 2.854029 3.082370 6.524614 7.597621 7.268319 7.940776 7.116243 8.554382 6.672151 2.225097 1.103777 7.846754 5.355687 3.215566 2.149211 6.169679 4.889982 4.580624 4.449722 3.757777 3.607661 3.184717 8.561798 6.887634 8.195366 6.474500 8.808860 7.171355 8.157439 6.600857 9.112710 9.387993 6.808694 7.460335 3.003917 2.404418 0.000000 4.757330 4.431876 9.411710 4.538627 4.433278 2.848527 3.115640 7.145535 7.800440 7.196878 8.039590 7.155868 8.881117 6.444772 2.231617 1.102660 8.438588 4.974393 3.247926 2.156153 7.069994 6.022608 5.765029 5.728145 5.179363 5.151427 4.843535 8.829046 7.310498 7.959019 6.264070 8.743736 7.154892 8.217889 6.903231 9.342502 9.781160 6.693580 7.013704 2.418147 2.990112 1.779405 0.000000 6.379374 4.435831 3.247849 5.674099 2.190455 6.567913 4.274332 1.025693 3.156906 3.965893 2.642450 4.914793 2.694000 5.746635 4.244091 5.533616 2.114684 5.203037 3.272052 5.511183 2.155731 2.775933 3.084449 3.899832 4.316982 4.946474 5.076365 4.058040 2.695330 4.759251 3.535483 3.657033 2.108762 5.762018 4.588507 3.178893 3.657527 6.521300 6.394183 4.596121 4.033934 5.968148 6.388681 0.000000 6.227654 6.484784 2.261976 8.262943 4.779467 8.182520 6.283913 2.062622 5.180576 6.373114 4.888254 6.981826 4.010122 8.007303 5.972086 7.071892 2.479066 7.603767 5.440756 7.223374 1.108193 2.180421 3.031707 3.135751 4.319677 4.393503 4.834478 5.647721 4.395483 7.238469 6.232683 5.903769 4.832027 7.651213 6.302247 4.434486 4.494256 8.536516 8.834629 6.543425 5.267041 7.051182 8.067243 2.985966 0.000000 6.186074 6.442147 3.356707 7.883498 4.138745 7.894152 5.916485 2.126434 5.602579 6.562865 5.001768 7.359196 4.357779 8.159098 5.019579 6.320431 3.072874 7.473832 4.783296 6.782417 1.109397 2.157109 3.448132 2.620679 4.611116 4.027100 4.802285 6.317622 4.958870 7.378635 6.137391 5.952831 4.574537 8.187334 6.824166 4.496363 5.164837 8.803916 8.904478 5.368845 4.242962 6.380286 7.189889 2.634030 1.777038 0.000000 4.594473 3.755519 3.984611 5.904551 3.385870 5.574941 3.894937 2.720046 3.757020 4.458798 4.352702 4.504889 4.398904 5.351402 4.620931 5.262089 3.467310 5.026547 3.676504 4.856114 2.772367 2.174512 1.095065 3.431852 2.173374 3.928886 3.413791 4.344139 2.668016 5.531897 4.374946 5.436766 4.280749 5.251905 3.614879 5.302836 4.840407 5.676950 6.330689 5.496459 4.337347 5.325822 6.334031 2.831129 3.093725 3.807257 0.000000 4.588201 6.688567 5.421209 8.257754 4.824199 7.256268 5.834231 4.036259 7.171752 7.858666 6.886695 8.333289 6.509048 8.841047 4.482011 5.437589 5.195361 7.923437 4.865472 6.217976 2.738439 2.179477 3.435653 1.096517 3.925900 2.170409 3.409652 7.966772 6.340389 8.808173 7.302588 7.901390 6.325010 9.260267 7.647384 6.779492 7.299910 9.298246 9.700615 4.984989 3.417996 5.127069 6.278336 4.267157 3.277144 2.368823 4.339602 0.000000 2.650969 3.586450 6.456197 5.865178 4.455345 4.055751 3.514289 5.056574 5.683809 5.829425 6.526615 5.305886 6.847301 5.564599 4.448403 4.301936 5.977184 5.039876 3.962672 3.737055 4.759591 3.464386 2.194191 3.923342 1.094148 3.449801 2.172462 6.281248 4.664784 6.929321 5.617941 7.545378 6.292304 6.077087 4.322808 7.743398 7.295315 5.481612 6.649351 5.538209 4.279342 4.012451 5.356408 4.940807 5.148854 5.588561 2.528507 5.019820 0.000000 2.647413 6.608909 7.424297 8.248229 5.642176 6.185160 5.605308 5.872828 8.349535 8.718989 8.437009 8.800543 8.363007 8.983697 4.328830 4.540636 7.119601 7.947267 5.104273 5.410295 4.738934 3.468039 3.927641 2.197257 3.450373 1.094059 2.171876 9.171028 7.409512 9.756466 8.120621 9.483719 7.836988 9.758683 8.012744 8.823455 9.114777 9.191284 9.924658 5.056908 3.369220 3.770623 5.317644 5.889577 5.254673 4.728069 5.022701 2.524661 4.339061 0.000000 0.2019962 0.1793897 0.1106495 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= 299 299 299 299 300 MxSgAt= 50 MxSgA2= 50. 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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= 21736 NPrTT= 111321 LenC2= 18823 LenP2D= 57746. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 316 RedAO= T EigKep= 6.64D-04 NBF= 316 NBsUse= 316 1.00D-06 EigRej= -1.00D+00 NBFU= 316 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= 301 301 303 303 303 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 0 1 -1320.92423724881 -1319.52134688099 1.402890367815 -1320.86503498939 -1.343688108398 -1321.51407789740 -0.649042908009 -1321.52293941780 -0.008861520402 -1321.62120972914 -0.098270311342 -1321.62638813862 -0.005178409475 -1321.62698784118 -0.000599702561 -1321.62711665769 -0.000128816509 -1321.62715433770 -0.000037680014 -1321.62703442718 0.000119910517 -1321.62703402963 0.000000397558 -1321.62703582545 -0.000001795821 -1321.62704068911 -0.000004863658 -1321.62704115264 -0.000000463532 -1321.62704115731 -0.000000004672 -1321.62704115769 -0.000000000377 -1321.62704115780 -0.000000000117 -1321.62704115779 0.000000000011 -1321.62704116 19 1.317445453171e+03 -8.284752203461e+03 3.048897299398e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 322010 IEndB= 322010 NGot= 402653184 MDV= 402447987 LenX= 402447987 LenY= 402347690 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. 2.43863807e-01 -1.41880194e-01 1.78743000e+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 9 8 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.041847417 -0.015169275 -0.027211335 -0.007494211 -0.038859003 -0.012178564 -0.024101870 -0.025841924 -0.044196244 0.018289931 -0.000231954 0.027174584 -0.044213536 0.014533992 0.005632562 0.018476345 0.012112904 -0.038482804 -0.019995006 0.017038462 -0.024637696 -0.010323049 0.007037086 0.000410076 0.007185116 0.003239549 0.005073051 -0.002793054 -0.000386815 -0.006212252 -0.000652507 0.005689845 -0.004387001 -0.004339105 -0.003311275 0.000037721 -0.003118277 0.002526617 0.007031307 0.002474886 0.000039407 -0.005089413 0.009787519 -0.007971458 0.004124663 0.000158621 -0.008193309 0.011332586 0.018902413 0.021732272 0.039244450 -0.009434255 0.054424712 -0.016904288 0.005084898 -0.015965519 0.034423589 0.034332997 -0.017956087 0.013626212 -0.004183014 -0.011294462 0.003148896 -0.011042769 -0.001520495 0.007980075 -0.001984660 -0.000781471 -0.008815112 0.004699890 -0.002186600 0.002406906 0.001204637 -0.000321375 -0.015817779 0.013445385 -0.004202292 0.005559739 -0.037186224 0.013683348 0.025112923 -0.004476045 0.003387131 -0.005352158 -0.002421262 -0.007058174 -0.001813475 0.001479108 0.007719885 0.002964823 0.003887610 -0.004495243 0.005519070 0.001717582 0.007038636 0.002469523 0.004502935 -0.003760834 0.005252294 -0.002539467 0.003918337 -0.005054588 -0.000917416 -0.005715369 -0.001855274 -0.004252558 0.002866016 0.007364558 -0.002122004 0.000613690 -0.003948251 0.002460895 -0.002353842 -0.007264410 0.003251383 0.002823110 0.003984849 -0.003909493 0.001081024 0.005814632 -0.004639419 -0.003197302 0.004766084 0.005926826 -0.002957899 -0.003041377 0.006785748 0.000877555 -0.001713966 0.002561745 0.004296214 0.001268501 -0.004879145 0.001601931 -0.003704113 0.000455173 -0.004368034 0.005472454 -0.005496042 0.002538617 -0.000618933 0.000234042 0.000536877 0.005834819 0.001176215 -0.000908727 -0.006531048 0.006185068 -0.002348479 0.001799136 0.054424712 0.013702325 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1321.66748708211 -1321.66750204609 -0.000014963981 -1321.66750136090 0.000000685191 -1321.66750220091 -0.000000840011 -1321.66750222136 -0.000000020445 -1321.66750223110 -0.000000009746 -1321.66750223160 -0.000000000500 -1321.66750223166 -0.000000000055 -1321.66750223164 0.000000000015 -1321.66750223 9 1.315463820305e+03 -8.350576954966e+03 3.082827118717e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 322010 IEndB= 322010 NGot= 402653184 MDV= 402447987 LenX= 402447987 LenY= 402347690 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 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AuxInfo=1/0/N:9,10,11,12,13,14,23,24,25,26,15,16,21,22,27,17,19,20,18,1,8,7,3,5,6,4,2/E:(7,8)(9,10)(11,12)(17,18)(24,25)/CRV:7.3,8.3,9.3,10.3,14.3,15.3,16.3,17.3,18.3,19.3,23.1,24.1,25.1,26.1/rA:50FOO1O1O1O1NNCCCCCCCCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;;;s9;s9;s10;s11;s12;;s15;s3s8s13;s2s4s14;s5s7s15;s6s7s16;s8;s21;s22;s22;s23;s24;s1s25s26;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s8;s21;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2077 CBGUSER 000131431 EM64L-G09RevD.01 16-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 144 C1[X(C19H23FN2O5)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 355.2121031999997 0 1 AuxInfo=1/0/N:9,10,11,12,13,14,23,24,25,26,15,16,21,22,27,17,19,20,18,1,8,7,3,5,6,4,2/E:(7,8)(9,10)(11,12)(17,18)(24,25)/CRV:7.3,8.3,9.3,10.3,14.3,15.3,16.3,17.3,18.3,19.3,23.1,24.1,25.1,26.1/rA:50FOO1O1O1O1NNCCCCCCCCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;;;s9;s9;s10;s11;s12;;s15;s3s8s13;s2s4s14;s5s7s15;s6s7s16;s8;s21;s22;s22;s23;s24;s1s25s26;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s8;s21;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-28499.inp" -scrdir="/scratch/" chk=000131431-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 000131431 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 19 16 16 16 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18.9984033 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 (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| 0.000348 0.000076 0.091077 0.024532 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.704426e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2630.6185279981 316 740 316 100 100 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 50 50 50 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 0 0 0 0 355.2121031999997 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1.513871 4.533426 4.534939 6.701080 0.000000 4.830444 2.471592 6.367566 3.412512 1.252773 3.587232 1.410675 4.113588 4.663983 4.350542 4.837496 4.669183 5.652945 4.563165 1.528427 2.466854 5.304645 3.312120 0.000000 4.118582 2.489119 8.343493 3.327878 3.601781 1.243573 1.428637 6.229994 6.276265 5.627150 6.859766 5.291430 7.773759 4.624096 2.467736 1.530004 7.386194 3.300548 2.412427 0.000000 5.744530 5.739082 2.796689 7.387595 3.783983 7.371313 5.396520 1.471449 4.822573 5.839050 4.467768 6.509146 3.869690 7.391685 4.928481 6.110113 2.476846 6.831898 4.438789 6.339405 0.000000 4.222927 5.021658 4.074789 6.872844 3.535643 6.212594 4.529198 2.515668 5.217769 5.961303 5.220537 6.326480 4.967325 6.994822 4.068113 4.998644 3.688815 6.301099 3.762810 5.244591 1.521794 0.000000 3.707590 4.031558 4.485022 6.147506 3.404804 5.324856 3.796334 2.998162 4.682577 5.273720 5.100569 5.334354 5.104771 5.974300 4.058859 4.674006 4.016752 5.406243 3.455719 4.530516 2.567554 1.418584 0.000000 3.704839 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5.153484 4.743448 7.976526 7.428786 6.271250 8.354254 6.160147 8.298331 7.256863 5.081883 4.691858 3.980208 3.708164 6.359241 5.985626 2.520057 2.477524 8.154475 7.509947 0.000000 8.653130 3.349631 8.534284 2.634621 5.182758 5.386864 4.499073 7.142706 4.393622 2.898478 5.406209 2.213607 6.846534 1.103693 6.571671 6.640080 7.463569 2.112557 5.258859 5.375756 8.194585 7.904135 6.965262 8.879576 7.117122 9.026300 8.184663 4.798319 4.740910 2.899733 2.993039 5.480666 5.333792 2.521552 3.104665 7.583491 7.148364 1.786100 0.000000 5.424831 4.400972 7.723988 4.552899 2.849877 4.399050 3.088067 5.406864 6.553842 6.219249 6.380286 6.682943 7.089100 6.368271 1.103283 2.229150 6.695338 4.945478 2.153390 3.225002 5.452798 4.817421 4.988572 4.672245 5.013005 4.709918 4.858125 7.651922 6.171233 6.929080 5.188856 7.059109 5.371068 7.787378 6.512920 7.358423 8.098738 6.962433 6.884411 0.000000 3.964853 4.365825 6.811752 5.370304 2.833131 4.418522 3.091891 4.594017 6.361797 6.352137 6.302989 6.689779 6.719449 6.643213 1.103305 2.226674 5.972522 5.370268 2.148374 3.239216 4.249120 3.319140 3.588387 2.973384 3.549755 2.934801 3.211583 7.392719 5.714179 7.248828 5.489892 7.186635 5.438911 7.773141 6.240279 7.105035 7.664580 7.115759 7.383033 1.781021 0.000000 2.993891 4.354551 8.649869 5.322518 4.392228 2.854028 3.082370 6.524613 7.597621 7.268319 7.940777 7.116243 8.554382 6.672151 2.225097 1.103777 7.846754 5.355687 3.215566 2.149211 6.169679 4.889982 4.580624 4.449722 3.757777 3.607660 3.184716 8.561797 6.887634 8.195366 6.474500 8.808860 7.171355 8.157439 6.600857 9.112709 9.387993 6.808694 7.460336 3.003917 2.404418 0.000000 4.757329 4.431877 9.411711 4.538627 4.433278 2.848527 3.115640 7.145535 7.800440 7.196878 8.039591 7.155869 8.881118 6.444772 2.231617 1.102659 8.438588 4.974393 3.247926 2.156153 7.069995 6.022608 5.765029 5.728144 5.179364 5.151427 4.843535 8.829046 7.310499 7.959019 6.264070 8.743736 7.154892 8.217889 6.903231 9.342502 9.781160 6.693580 7.013705 2.418147 2.990112 1.779405 0.000000 6.379374 4.435830 3.247849 5.674098 2.190455 6.567912 4.274332 1.025694 3.156906 3.965893 2.642450 4.914792 2.694001 5.746634 4.244091 5.533616 2.114684 5.203037 3.272052 5.511182 2.155731 2.775933 3.084449 3.899831 4.316982 4.946474 5.076365 4.058039 2.695330 4.759251 3.535483 3.657032 2.108761 5.762018 4.588507 3.178893 3.657527 6.521300 6.394183 4.596121 4.033934 5.968148 6.388681 0.000000 6.227655 6.484784 2.261976 8.262943 4.779468 8.182520 6.283913 2.062622 5.180576 6.373114 4.888254 6.981827 4.010122 8.007304 5.972086 7.071892 2.479065 7.603768 5.440756 7.223374 1.108193 2.180421 3.031708 3.135752 4.319677 4.393504 4.834479 5.647721 4.395484 7.238470 6.232684 5.903769 4.832027 7.651213 6.302247 4.434486 4.494256 8.536517 8.834630 6.543425 5.267041 7.051182 8.067244 2.985967 0.000000 6.186075 6.442147 3.356707 7.883498 4.138745 7.894152 5.916485 2.126434 5.602579 6.562865 5.001768 7.359196 4.357779 8.159098 5.019579 6.320431 3.072874 7.473833 4.783295 6.782417 1.109397 2.157109 3.448133 2.620679 4.611117 4.027100 4.802286 6.317622 4.958870 7.378635 6.137392 5.952831 4.574537 8.187334 6.824167 4.496363 5.164837 8.803916 8.904479 5.368845 4.242963 6.380286 7.189889 2.634030 1.777039 0.000000 4.594473 3.755519 3.984612 5.904551 3.385870 5.574941 3.894937 2.720047 3.757020 4.458797 4.352702 4.504889 4.398904 5.351401 4.620931 5.262090 3.467310 5.026547 3.676504 4.856114 2.772368 2.174512 1.095065 3.431852 2.173374 3.928886 3.413791 4.344139 2.668017 5.531897 4.374946 5.436766 4.280749 5.251904 3.614878 5.302836 4.840407 5.676950 6.330689 5.496459 4.337347 5.325822 6.334031 2.831129 3.093726 3.807258 0.000000 4.588201 6.688567 5.421209 8.257754 4.824199 7.256267 5.834231 4.036259 7.171752 7.858665 6.886695 8.333288 6.509048 8.841047 4.482011 5.437589 5.195360 7.923437 4.865472 6.217975 2.738439 2.179476 3.435653 1.096517 3.925900 2.170409 3.409652 7.966771 6.340389 8.808172 7.302587 7.901390 6.325009 9.260267 7.647383 6.779491 7.299909 9.298246 9.700615 4.984989 3.417996 5.127069 6.278336 4.267156 3.277144 2.368823 4.339602 0.000000 2.650969 3.586451 6.456198 5.865178 4.455345 4.055751 3.514290 5.056574 5.683809 5.829425 6.526616 5.305886 6.847302 5.564599 4.448403 4.301936 5.977184 5.039877 3.962672 3.737055 4.759592 3.464386 2.194191 3.923341 1.094148 3.449801 2.172462 6.281248 4.664785 6.929321 5.617941 7.545378 6.292304 6.077087 4.322808 7.743398 7.295315 5.481612 6.649352 5.538209 4.279342 4.012451 5.356408 4.940807 5.148854 5.588562 2.528507 5.019819 0.000000 2.647412 6.608909 7.424297 8.248229 5.642176 6.185159 5.605308 5.872827 8.349534 8.718988 8.437008 8.800542 8.363006 8.983696 4.328830 4.540636 7.119601 7.947267 5.104272 5.410294 4.738934 3.468038 3.927641 2.197257 3.450372 1.094059 2.171876 9.171027 7.409512 9.756466 8.120621 9.483718 7.836988 9.758683 8.012743 8.823454 9.114776 9.191283 9.924658 5.056908 3.369220 3.770623 5.317644 5.889576 5.254673 4.728069 5.022701 2.524660 4.339061 0.000000 C19H23FN2O5 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 0 355.2121031999997 AuxInfo=1/0/N:9,10,11,12,13,14,23,24,25,26,15,16,21,22,27,17,19,20,18,1,8,7,3,5,6,4,2/E:(7,8)(9,10)(11,12)(17,18)(24,25)/CRV:7.3,8.3,9.3,10.3,14.3,15.3,16.3,17.3,18.3,19.3,23.1,24.1,25.1,26.1/rA:50FOO1O1O1O1NNCCCCCCCCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;;;s9;s9;s10;s11;s12;;s15;s3s8s13;s2s4s14;s5s7s15;s6s7s16;s8;s21;s22;s22;s23;s24;s1s25s26;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s8;s21;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2019962 0.1793897 0.1106495 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= 21736 NPrTT= 111321 LenC2= 18823 LenP2D= 57746. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 316 RedAO= T EigKep= 6.64D-04 NBF= 316 NBsUse= 316 1.00D-06 EigRej= -1.00D+00 NBFU= 316 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= 302 302 302 303 303 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 0 1 -1321.01565129752 -1319.49850615732 1.517145140204 -1320.85389482858 -1.355388671257 -1321.53117624116 -0.677281412584 -1321.48912460291 0.042051638248 -1321.63601560924 -0.146891006326 -1321.66168229387 -0.025666684634 -1321.66680843493 -0.005126141053 -1321.66716217193 -0.000353737007 -1321.66726031461 -0.000098142676 -1321.66726346797 -0.000003153360 -1321.66739943999 -0.000135972018 -1321.66740553334 -0.000006093354 -1321.66740167788 0.000003855460 -1321.66740654041 -0.000004862528 -1321.66740669602 -0.000000155611 -1321.66740670162 -0.000000005599 -1321.66740670194 -0.000000000320 -1321.66740670203 -0.000000000089 -1321.66740670209 -0.000000000061 -1321.66740670 20 1.315464138945e+03 -8.350577317051e+03 3.082827243406e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 322534 IEndB= 322534 NGot= 402653184 MDV= 402447463 LenX= 402447463 LenY= 402347166 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= 50. Will process 51 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111111 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= 402652364 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= 760000000 NMat= 153 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= 153 NMatS0= 153 NMatT0= 0 NMatD0= 153 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 153 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 150 vectors produced by pass 0 Test12= 2.16D-14 1.00D-09 XBig12= 4.61D+02 7.32D+00. AX will form 150 AO Fock derivatives at one time. 150 vectors produced by pass 1 Test12= 2.16D-14 1.00D-09 XBig12= 1.95D+02 3.78D+00. 150 vectors produced by pass 2 Test12= 2.16D-14 1.00D-09 XBig12= 8.38D-01 1.46D-01. 150 vectors produced by pass 3 Test12= 2.16D-14 1.00D-09 XBig12= 4.74D-04 1.47D-03. 99 vectors produced by pass 4 Test12= 2.16D-14 1.00D-09 XBig12= 6.96D-08 1.85D-05. 14 vectors produced by pass 5 Test12= 2.16D-14 1.00D-09 XBig12= 7.93D-12 2.11D-07. 3 vectors produced by pass 6 Test12= 2.16D-14 1.00D-09 XBig12= 2.38D-15 4.48D-09. InvSVY: IOpt=1 It= 1 EMax= 3.91D-14 Solved reduced A of dimension 716 with 153 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 227.14 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 278.823 -6.729 226.575 -1.820 -26.383 176.007 505.813 9.805 374.051 -14.875 -56.879 353.876 (Enter /mnt/data/applications/G09/g09/l716.exe) PT13701.500S 2017-07-16T16:59:47.000+02:00 -24.28307 -18.86766 -18.80246 -18.78829 -18.78229 -18.72161 -14.12210 -14.01909 -10.06138 -10.05095 -10.04470 -10.00118 -9.99170 -9.94658 -9.94506 -9.93870 -9.93789 -9.93388 -9.93254 -9.93037 -9.93029 -9.92687 -9.91434 -9.90245 -9.90021 -9.89867 -9.89595 -1.11007 -1.07263 -1.00702 -0.98963 -0.97876 -0.93519 -0.87242 -0.83745 -0.80193 -0.76140 -0.73924 -0.72509 -0.71073 -0.70319 -0.67857 -0.66601 -0.63628 -0.61882 -0.59834 -0.59579 -0.58013 -0.55761 -0.54770 -0.53257 -0.52226 -0.49518 -0.49276 -0.47730 -0.46651 -0.45699 -0.45150 -0.44930 -0.44078 -0.43172 -0.42919 -0.42378 -0.41648 -0.41028 -0.40490 -0.40255 -0.40079 -0.39844 -0.39743 -0.39633 -0.39075 -0.38777 -0.37964 -0.37753 -0.36843 -0.36214 -0.36079 -0.35257 -0.34645 -0.33928 -0.33221 -0.32745 -0.32478 -0.31699 -0.31348 -0.31028 -0.30687 -0.30383 -0.29390 -0.28718 -0.27928 -0.27791 -0.26332 -0.25696 -0.25183 -0.23744 -0.23475 -0.20993 -0.19133 -0.09206 -0.08100 -0.06440 -0.05296 -0.04242 -0.02685 -0.01542 0.03042 0.05334 0.06179 0.07146 0.07183 0.07586 0.08165 0.09318 0.09790 0.10005 0.10257 0.10437 0.11143 0.11500 0.11828 0.12078 0.12849 0.13260 0.13521 0.13826 0.14095 0.14392 0.14919 0.15029 0.15469 0.15971 0.16334 0.16631 0.17268 0.17982 0.18178 0.18601 0.18990 0.19748 0.19912 0.20297 0.20556 0.21373 0.21550 0.22218 0.22414 0.22907 0.23778 0.24324 0.24542 0.24760 0.25919 0.26913 0.27426 0.27894 0.28316 0.28379 0.28693 0.29193 0.29832 0.30319 0.30433 0.31556 0.32172 0.32898 0.33060 0.33505 0.34021 0.34071 0.34416 0.35072 0.35864 0.36178 0.36518 0.36941 0.37593 0.38083 0.38456 0.38790 0.39418 0.40005 0.40790 0.40842 0.41915 0.43183 0.43451 0.43929 0.44230 0.44788 0.45933 0.46616 0.47050 0.48428 0.48652 0.48712 0.49442 0.49809 0.50178 0.50705 0.51020 0.52112 0.52602 0.53617 0.53917 0.55165 0.56078 0.58813 0.60046 0.61015 0.62219 0.62281 0.64055 0.64242 0.65423 0.66018 0.66830 0.69817 0.71020 0.71650 0.72392 0.73503 0.76014 0.78431 0.78679 0.79303 0.80309 0.81063 0.81480 0.84244 0.84664 0.86007 0.86510 0.87192 0.87908 0.88539 0.88616 0.90387 0.90878 0.91754 0.93060 0.93743 0.94203 0.94795 0.96501 0.96775 0.97400 0.98357 0.98994 0.99853 1.00789 1.02369 1.03023 1.03496 1.04696 1.05667 1.07972 1.08454 1.10015 1.10386 1.11550 1.12833 1.13681 1.14693 1.15112 1.18060 1.19860 1.23041 1.23201 1.24650 1.28507 1.28821 1.30392 1.33632 1.35305 1.38375 1.39105 1.40083 1.44545 1.46832 1.47001 1.50548 1.63457 1.68060 1.70460 1.71668 1.77441 1.96317 22.27813 22.32590 22.37862 22.42835 22.44125 22.48510 22.52395 22.55182 22.55969 22.57730 22.59226 22.61894 22.63193 22.64303 22.64967 22.67336 22.67467 22.68649 22.75694 31.41094 31.50424 41.48302 41.49228 41.51891 41.55508 41.57356 52.99490 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 F O O O O O N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.207927 -0.208107 -0.290454 -0.173883 -0.243432 -0.170519 -0.124402 -0.404393 -0.370396 -0.361221 -0.396665 -0.389191 -0.510331 -0.512011 -0.517593 -0.509374 0.211341 0.257090 0.277564 0.212868 -0.510950 0.506111 -0.345607 -0.427469 -0.370734 -0.383126 0.309039 0.204525 0.197221 0.204699 0.218629 0.207156 0.205582 0.218280 0.217901 0.234723 0.232497 0.255813 0.247022 0.272448 0.288761 0.285745 0.273344 0.364505 0.277817 0.222376 0.256043 0.244310 0.264987 0.259386 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 F O O O O O N N C C C C C C C C C C C C C C C C C C C -0.207927 -0.208107 -0.290454 -0.173883 -0.243432 -0.170519 -0.124402 -0.039888 0.031350 0.062107 0.016073 0.046990 -0.043112 -0.009176 0.043617 0.049715 0.211341 0.257090 0.277564 0.212868 -0.010757 0.506111 -0.089564 -0.183159 -0.105747 -0.123740 0.309039 0.00000 2.91392590e-01 4.88010470e-01 1.12629709e+00 2.78823184e+02 -6.72859733e+00 2.26575079e+02 -1.81998346e+00 -2.63831071e+01 1.76007296e+02 -8.9667 -8.3722 -0.0006 0.0002 0.0004 6.0060 15.9031 23.3156 30.0562 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 15.4366 23.2261 30.0393 34.3933 46.5406 50.0609 57.3151 58.8801 66.7247 73.1944 84.3925 104.2506 123.3864 128.8468 131.9373 140.4061 150.6341 191.9290 201.4441 221.8077 244.4430 258.2556 295.0650 311.8219 318.2831 334.1032 351.9105 365.6867 384.7168 411.4263 413.3764 454.2907 483.5185 513.3614 523.8501 533.9792 545.6768 547.8446 552.8690 571.9166 599.3505 600.5028 615.6202 629.9419 638.1288 704.8330 708.0160 717.0912 737.2194 739.2432 742.8345 790.2308 816.7112 819.7400 826.0562 835.7142 851.7695 859.9352 872.8063 902.3811 942.8444 968.3195 972.7255 992.7025 1002.5429 1004.0749 1007.6973 1010.3283 1019.5009 1030.9860 1038.0603 1051.9671 1064.7951 1092.0496 1096.5165 1108.4615 1122.9174 1152.6857 1153.1894 1155.0872 1168.9118 1185.6440 1193.2269 1210.7643 1214.8883 1220.8385 1229.0872 1237.3256 1241.4117 1255.8706 1268.8085 1285.6538 1293.3718 1296.1389 1299.1903 1301.0953 1317.8946 1327.0915 1330.0960 1340.6452 1360.4769 1368.6296 1387.7670 1409.2197 1435.3755 1440.8526 1444.7536 1450.4902 1465.4420 1466.7860 1474.8045 1478.0178 1484.0267 1496.0086 1499.5140 1591.6851 1601.1254 1610.9574 1647.6376 1702.3187 1730.4788 2962.5480 2965.9227 2968.3194 2976.5482 2986.5776 2997.9695 3004.3099 3008.8535 3014.4288 3019.0163 3027.0034 3035.2705 3041.4543 3059.2351 3062.6811 3083.1145 3083.6322 3099.5354 3130.6085 3147.6329 3170.2772 3173.5727 3492.1589 5.8151 6.0071 11.1865 5.0144 6.9166 4.7489 6.1947 7.8719 5.8508 6.0485 4.3196 2.0929 3.4873 4.3920 4.8625 2.1326 4.2411 2.8435 2.9767 3.3802 5.7044 2.7508 7.2699 7.3138 3.4960 4.1004 3.2599 5.6683 4.7851 4.0015 3.0082 4.3939 4.1186 3.4813 4.9824 3.5975 4.1725 3.3696 3.6865 3.5949 3.0228 3.7482 4.7797 6.1513 6.0145 3.1336 1.2276 1.9742 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