Gaussian 09 GINC-KIMIK2075 CBGUSER 000223759 EM64L-G09RevD.01 3-Dec-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 299.1092999999998 0 1 AuxInfo=1/0/N:18,16,17,12,10,13,20,9,15,8,19,14,21,5,3,6,11,7,4,2,1/CRV:3.3,12.3/rA:49ClClCCCCCCCCCCCC3CCC3CCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s5;s6;s4;s6s8;s3;s1s4;s5;s10s11;s7;s7;s4;s12s14;s7;s14;s15;s2s19s20;s3;s5;s6;s8;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s15;s15;s16;s16;s16;s17;s18;s18;s18;s19;s19;s20;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-24642.inp" -scrdir="/scratch/" chk=000223759.chk nprocshared=4 mem=3GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000223759 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 35 35 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 1 1 1 34.9688527 34.9688527 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 1.0078250 1.0078250 1.0078250 3 3 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 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 (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 1 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 10 11 11 12 12 12 13 13 14 14 15 15 15 16 16 16 17 18 18 18 19 19 19 20 20 20 21 11 21 4 5 10 22 8 11 16 6 12 23 7 9 24 14 15 18 9 25 26 27 28 13 29 30 13 31 17 32 33 34 35 17 19 20 36 37 38 39 40 41 42 43 44 21 45 46 21 47 48 49 1.7955 1.8171 1.5646 1.5332 1.5391 1.1213 1.5371 1.5539 1.5328 1.5545 1.5403 1.1162 1.5677 1.5454 1.1189 1.5272 1.5545 1.5401 1.5379 1.1055 1.1065 1.11 1.1071 1.549 1.1002 1.1029 1.5418 1.1106 1.4953 1.1089 1.1111 1.1048 1.1023 1.3396 1.5086 1.532 1.1078 1.1069 1.0959 1.0967 1.0964 1.0902 1.0962 1.0962 1.0953 1.525 1.1096 1.1131 1.5239 1.1092 1.1076 1.1136 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 4 4 4 5 5 10 3 3 3 8 8 11 3 3 3 6 6 12 5 5 5 7 7 9 6 6 6 14 14 15 4 4 4 9 9 25 6 6 6 8 8 27 3 3 3 13 13 29 1 1 1 4 4 13 5 5 5 17 17 32 10 10 10 11 11 34 7 7 17 7 7 7 20 20 36 4 4 4 38 38 39 12 12 14 7 7 7 42 42 43 14 14 14 21 21 45 15 15 15 21 21 47 2 2 2 19 19 20 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 5 10 22 10 22 22 8 11 16 11 16 16 6 12 23 12 23 23 7 9 24 9 24 24 14 15 18 15 18 18 9 25 26 25 26 26 8 27 28 27 28 28 13 29 30 29 30 30 4 13 31 13 31 31 17 32 33 32 33 33 11 34 35 34 35 35 17 19 19 20 36 37 36 37 37 38 39 40 39 40 40 14 41 41 42 43 44 43 44 44 21 45 46 45 46 46 21 47 48 47 48 48 19 20 49 20 49 49 111.0184 103.8681 107.9944 119.141 107.2089 107.1298 107.1799 99.6684 113.6189 115.185 110.629 110.1958 108.5098 110.7191 109.8812 109.7116 109.1738 108.8262 110.2022 112.8616 107.082 111.6084 107.2909 107.4976 109.9544 107.6179 111.3595 110.0667 107.4692 110.3859 110.0031 110.6568 110.3722 110.1297 109.88 105.7211 114.3975 109.5837 109.1706 108.8993 108.7672 105.6562 104.459 111.9097 111.347 111.7265 110.9614 106.5416 112.02 110.5977 105.4038 105.5969 111.7458 111.6002 112.7093 109.3974 110.3815 109.8954 108.6838 105.5226 106.4253 110.545 111.515 111.831 110.7706 105.8429 123.3857 116.5579 119.9589 113.5395 109.2219 109.445 109.302 109.1257 105.926 111.878 111.3624 111.5722 107.0593 107.3241 107.3859 124.3563 114.2219 121.4199 111.0936 111.6433 111.489 107.5246 107.4163 107.4573 111.1221 111.5342 108.7191 109.8958 110.498 104.8935 109.3724 110.395 110.3794 110.5758 110.5997 105.4723 107.7773 107.9361 105.6451 112.0587 111.3664 111.7087 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 5 5 5 10 10 10 22 22 22 4 4 4 10 10 10 22 22 22 4 4 4 5 5 5 22 22 22 3 3 3 11 11 11 16 16 16 3 3 3 8 8 8 16 16 16 3 3 3 8 8 8 11 11 11 3 3 3 12 12 12 23 23 23 3 3 3 6 6 6 23 23 23 5 5 5 9 9 9 24 24 24 5 5 5 7 7 7 24 24 24 6 6 15 15 18 18 6 6 6 14 14 14 18 18 18 6 6 6 14 14 14 15 15 15 4 4 4 25 25 25 26 26 26 3 3 3 29 29 29 30 30 30 1 1 1 4 4 4 31 31 31 5 5 32 32 33 33 7 7 19 19 7 7 7 17 17 17 7 7 7 36 36 36 37 37 37 14 14 14 45 45 45 46 46 46 15 15 15 47 47 47 48 48 48 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 10 10 10 10 10 10 10 10 10 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 16 16 16 16 16 16 16 16 16 6 6 6 6 6 6 6 6 6 12 12 12 12 12 12 12 12 12 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 9 9 9 9 9 9 9 9 9 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 17 17 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 8 11 16 8 11 16 8 11 16 6 12 23 6 12 23 6 12 23 13 29 30 13 29 30 13 29 30 9 25 26 9 25 26 9 25 26 1 13 31 1 13 31 1 13 31 38 39 40 38 39 40 38 39 40 7 9 24 7 9 24 7 9 24 17 32 33 17 32 33 17 32 33 14 15 18 14 15 18 14 15 18 8 27 28 8 27 28 8 27 28 17 19 17 19 17 19 20 36 37 20 36 37 20 36 37 42 43 44 42 43 44 42 43 44 6 27 28 6 27 28 6 27 28 11 34 35 11 34 35 11 34 35 10 34 35 10 34 35 10 34 35 14 41 14 41 14 41 12 41 12 41 21 45 46 21 45 46 21 47 48 21 47 48 21 47 48 2 20 49 2 20 49 2 20 49 2 19 49 2 19 49 2 19 49 -66.0344 173.667 56.4914 164.7534 44.4548 -72.7208 51.2268 -69.0717 173.7527 60.7785 -178.7631 -58.5206 -178.6771 -58.2188 62.0238 -56.9615 63.4969 -176.2606 -34.1495 -155.1973 85.6807 -158.2483 80.7039 -38.4181 79.9965 -41.0513 -160.1733 59.3951 -62.5189 -179.1915 169.2501 47.3361 -69.3365 -64.9712 173.1148 56.4422 -158.5802 -38.1232 83.3991 87.1384 -152.4046 -30.8823 -38.8631 81.5938 -156.8839 68.6551 -171.5753 -51.5977 -170.7422 -50.9726 69.005 -42.2095 77.5601 -162.4624 -176.2811 -50.7602 67.3339 62.6374 -171.8416 -53.7476 -56.539 68.982 -172.924 -164.0542 73.367 -42.3223 -44.3143 -166.8931 77.4177 75.0755 -47.5032 -163.1925 -48.339 -168.2259 70.6676 -174.5683 65.5448 -55.5618 67.9154 -51.9715 -173.0781 48.2349 -74.3716 170.3552 172.9926 50.3862 -64.887 -69.6157 167.7779 52.5047 18.6076 -164.992 136.9953 -46.6043 -102.7566 73.6438 169.4341 47.1764 -68.3715 49.6186 -72.6391 171.813 -68.8513 168.891 53.3431 -64.8152 55.2035 175.4072 55.6646 175.6833 -64.113 175.7102 -64.2711 55.9326 -52.6401 70.3372 -174.9803 69.5866 -167.4361 -52.7536 -174.3472 -51.3699 63.3126 9.8981 131.5333 -111.0071 131.0675 -107.2973 10.1623 -110.1909 11.4443 128.9039 139.5824 18.7696 -99.036 18.1993 -102.6136 139.5809 -103.4172 135.77 17.9644 14.5459 -165.9525 136.845 -43.6534 -108.1421 71.3596 -1.3888 179.1438 -177.6722 2.8603 49.7185 172.7183 -72.1023 -133.7505 -10.7507 104.4287 -56.2855 65.5973 -178.188 65.9277 -172.1894 -55.9747 -178.6568 -56.774 59.4408 -173.3974 -54.7861 71.1644 62.6655 -178.7232 -52.7727 -52.6189 65.9924 -168.0571 176.8415 58.3242 -67.4394 55.0676 -63.4498 170.7866 -61.3885 -179.9058 54.3306 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 294 294 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 49 49 49 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= 18145 NPrTT= 88094 LenC2= 16042 LenP2D= 50597. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 282 RedAO= T EigKep= 7.15D-04 NBF= 282 NBsUse= 282 1.00D-06 EigRej= -1.00D+00 NBFU= 282 Using GEDIIS/GDIIS optimizer. local minimum Step number 8 out of a maximum of 294 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00112 0.00239 0.00291 0.00420 0.00477 0.00563 0.00619 0.00712 0.00826 0.00987 0.01286 0.01432 0.01657 0.01721 0.02264 0.02384 0.02578 0.02749 0.03145 0.03437 0.03693 0.03799 0.03896 0.03963 0.04120 0.04378 0.04410 0.04558 0.04618 0.04650 0.04757 0.04805 0.04823 0.04983 0.05023 0.05105 0.05157 0.05344 0.05359 0.05404 0.05447 0.05515 0.05572 0.05604 0.05627 0.05631 0.05841 0.06082 0.06151 0.06677 0.06935 0.06987 0.07067 0.07607 0.07811 0.07936 0.07997 0.08270 0.08382 0.08537 0.08730 0.08795 0.09106 0.09508 0.10035 0.10129 0.10282 0.10725 0.11348 0.11957 0.12784 0.13704 0.14147 0.14483 0.15077 0.15484 0.15924 0.15952 0.15993 0.16001 0.16024 0.16139 0.16162 0.17246 0.17758 0.18275 0.18825 0.19716 0.20334 0.21200 0.22163 0.22754 0.25330 0.26028 0.26430 0.26609 0.26948 0.27132 0.27312 0.27838 0.28233 0.28333 0.28445 0.28519 0.28921 0.29023 0.29266 0.29425 0.29816 0.30134 0.31388 0.31480 0.31801 0.31932 0.32112 0.32255 0.32378 0.32484 0.32566 0.32651 0.32699 0.32742 0.32830 0.32854 0.32900 0.32961 0.33020 0.33094 0.33200 0.33228 0.33410 0.33448 0.33849 0.34085 0.34115 0.34163 0.34282 0.34498 0.34769 0.35254 0.54531 RFO step: Lambda=-2.71138414D-07. 1 2 3 0.00133405 0.00000142 0.00000000 0.00000210 0.00000168 0.00000168 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 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 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 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 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 3.59970 3.62244 2.95817 2.91268 2.93790 2.10904 2.91821 2.92574 2.92932 2.95427 2.92269 2.09660 2.98199 2.94480 2.10735 2.91559 2.96421 2.95054 2.93309 2.09893 2.09257 2.08882 2.09143 2.96855 2.08608 2.08984 2.93515 2.08521 2.85843 2.09509 2.10414 2.08452 2.08506 2.57127 2.89151 2.92923 2.09732 2.09010 2.08604 2.08617 2.08337 2.07956 2.08788 2.08866 2.08538 2.90124 2.08634 2.09430 2.88999 2.08984 2.08814 2.08443 1.98424 1.82317 1.84639 2.08245 1.84728 1.86490 1.88101 1.70300 1.97410 2.01855 1.94132 1.93432 1.91478 1.93114 1.90732 1.91595 1.90870 1.88560 1.95486 1.97070 1.84083 1.96848 1.85115 1.86646 1.92157 1.89204 1.94732 1.88697 1.90022 1.91479 1.93102 1.90391 1.93313 1.91348 1.91473 1.86637 1.99146 1.91661 1.90896 1.89450 1.89496 1.85209 1.81666 1.95656 1.93407 1.95375 1.93388 1.87023 1.99856 1.94766 1.78519 1.84989 1.92925 1.95628 1.96842 1.92021 1.91005 1.91185 1.90789 1.84105 1.82480 1.94592 1.96645 1.92065 1.93643 1.87045 2.14830 2.03971 2.09510 1.99538 1.89262 1.91300 1.89808 1.89516 1.86525 1.95684 1.91512 1.95017 1.87379 1.87894 1.88596 2.17601 2.03552 2.07163 1.93598 1.94651 1.94860 1.88925 1.86985 1.87022 1.93176 1.92361 1.93272 1.92620 1.88214 1.86597 1.90839 1.93336 1.92098 1.90615 1.92515 1.86959 1.90091 1.90732 1.80122 1.95253 1.94723 1.94783 -1.07412 3.11320 1.07929 2.91038 0.81451 -1.21940 0.94543 -1.15044 3.09884 0.98204 3.09856 -1.11048 -3.13706 -1.02054 1.05360 -1.03698 1.07953 -3.12951 -0.56396 -2.67893 1.51564 -2.80432 1.36390 -0.72472 1.38772 -0.72725 -2.81587 1.00854 -1.09776 3.13573 2.89193 0.78562 -1.26407 -1.16471 3.01217 0.96248 -2.92474 -0.76992 1.35365 1.37012 -2.75824 -0.63467 -0.85991 1.29491 -2.86470 1.03440 3.11490 -1.07680 -3.12901 -1.04851 1.04297 -0.85755 1.22295 -2.96875 -3.08620 -0.84116 1.19106 1.07135 -2.96679 -0.93457 -0.99452 1.25052 -3.00044 -2.87520 1.26776 -0.74741 -0.75937 -2.89960 1.36841 1.32073 -0.81949 -2.83467 -0.79127 -2.85216 1.32064 -3.03748 1.18481 -0.92557 1.20833 -0.85256 -2.96294 0.84961 -1.28164 2.97572 3.08758 0.95633 -1.06950 -1.16734 2.98459 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-0.00001 0.00003 0.00014 -0.00018 0.00024 -0.00018 0.00005 -0.00002 0.00008 -0.00012 0.00021 -0.00030 0.00019 -0.00008 0.00009 0.00000 -0.00016 -0.00024 0.00007 0.00023 -0.00015 0.00026 -0.00016 0.00016 -0.00007 -0.00009 -0.00020 0.00013 0.00048 0.00015 -0.00043 -0.00013 0.00007 -0.00020 -0.00003 0.00001 -0.00005 0.00021 0.00010 0.00022 -0.00011 -0.00017 -0.00013 0.00008 0.00001 0.00015 -0.00030 0.00012 -0.00005 0.00006 0.00011 0.00023 0.00049 -0.00033 -0.00029 -0.00020 0.00012 0.00025 -0.00031 -0.00005 -0.00017 0.00016 -0.00012 0.00025 0.00012 -0.00009 -0.00035 0.00017 -0.00007 -0.00004 0.00010 0.00020 -0.00010 -0.00014 0.00003 -0.00005 0.00006 0.00005 0.00010 -0.00014 -0.00004 0.00004 -0.00001 -0.00006 0.00034 -0.00028 0.00017 -0.00001 -0.00025 0.00027 -0.00001 -0.00016 -0.00011 0.00003 0.00001 -0.00009 -0.00014 0.00031 0.00002 0.00006 0.00003 -0.00010 -0.00009 0.00009 -0.00002 0.00018 0.00026 -0.00010 -0.00002 -0.00025 0.00002 0.00038 0.00047 0.00030 0.00067 0.00075 0.00030 0.00067 0.00075 -0.00039 -0.00063 -0.00044 -0.00069 -0.00092 -0.00074 -0.00079 -0.00103 -0.00084 -0.00036 -0.00059 -0.00055 -0.00025 -0.00048 -0.00044 -0.00017 -0.00040 -0.00037 -0.00006 0.00002 -0.00009 -0.00030 -0.00023 -0.00034 -0.00051 -0.00043 -0.00055 -0.00085 -0.00073 -0.00133 -0.00076 -0.00064 -0.00125 -0.00070 -0.00058 -0.00118 -0.00370 -0.00365 -0.00369 -0.00330 -0.00325 -0.00329 -0.00362 -0.00357 -0.00361 0.00041 0.00073 0.00065 0.00050 0.00082 0.00075 0.00031 0.00063 0.00056 0.00006 -0.00014 -0.00030 0.00002 -0.00019 -0.00035 0.00011 -0.00010 -0.00026 -0.00107 -0.00121 -0.00143 -0.00144 -0.00158 -0.00180 -0.00138 -0.00152 -0.00174 -0.00074 -0.00077 -0.00092 -0.00058 -0.00060 -0.00076 -0.00063 -0.00065 -0.00081 0.00112 0.00008 0.00125 0.00021 0.00094 -0.00010 -0.00063 -0.00073 -0.00067 -0.00055 -0.00065 -0.00059 -0.00005 -0.00015 -0.00008 -0.00192 -0.00146 -0.00185 -0.00215 -0.00169 -0.00208 -0.00230 -0.00184 -0.00223 0.00046 0.00070 0.00063 0.00026 0.00050 0.00043 0.00049 0.00072 0.00065 -0.00014 -0.00019 0.00029 0.00011 0.00006 0.00055 0.00023 0.00018 0.00067 0.00053 0.00035 0.00040 0.00047 0.00030 0.00035 0.00115 0.00097 0.00103 0.00010 0.00017 0.00046 0.00053 0.00054 0.00061 -0.00069 -0.00076 0.00038 0.00031 0.00031 0.00015 0.00055 -0.00070 -0.00086 -0.00045 0.00046 0.00038 0.00054 0.00049 0.00041 0.00058 0.00054 0.00046 0.00063 -0.00061 -0.00047 -0.00089 -0.00051 -0.00037 -0.00080 -0.00075 -0.00061 -0.00103 0.00010 0.00008 0.00038 0.00009 0.00006 0.00036 0.00009 0.00006 0.00036 3.59872 3.62173 2.95779 2.91272 2.93792 2.10917 2.91812 2.92593 2.92929 2.95425 2.92262 2.09664 2.98203 2.94473 2.10744 2.91556 2.96420 2.95047 2.93317 2.09892 2.09249 2.08881 2.09135 2.96845 2.08593 2.08991 2.93537 2.08530 2.85848 2.09499 2.10419 2.08447 2.08509 2.57131 2.89145 2.92909 2.09735 2.09009 2.08606 2.08619 2.08334 2.07953 2.08781 2.08863 2.08546 2.90129 2.08634 2.09431 2.89016 2.08982 2.08813 2.08446 1.98438 1.82299 1.84663 2.08227 1.84732 1.86488 1.88110 1.70288 1.97432 2.01825 1.94151 1.93424 1.91487 1.93114 1.90716 1.91571 1.90877 1.88584 1.95471 1.97096 1.84067 1.96864 1.85109 1.86637 1.92137 1.89217 1.94779 1.88712 1.89979 1.91466 1.93109 1.90370 1.93311 1.91349 1.91468 1.86658 1.99156 1.91684 1.90885 1.89434 1.89483 1.85217 1.81667 1.95671 1.93377 1.95387 1.93384 1.87029 1.99867 1.94789 1.78568 1.84957 1.92896 1.95608 1.96854 1.92046 1.90974 1.91181 1.90772 1.84121 1.82467 1.94617 1.96657 1.92057 1.93608 1.87062 2.14824 2.03967 2.09520 1.99558 1.89252 1.91286 1.89811 1.89511 1.86530 1.95689 1.91522 1.95003 1.87375 1.87898 1.88594 2.17596 2.03586 2.07134 1.93614 1.94650 1.94835 1.88952 1.86984 1.87006 1.93165 1.92364 1.93274 1.92611 1.88200 1.86627 1.90841 1.93342 1.92101 1.90604 1.92506 1.86968 1.90089 1.90750 1.80147 1.95243 1.94722 1.94758 -1.07410 3.11358 1.07975 2.91068 0.81518 -1.21865 0.94573 -1.14977 3.09959 0.98165 3.09793 -1.11093 -3.13775 -1.02147 1.05286 -1.03778 1.07850 -3.13035 -0.56431 -2.67951 1.51509 -2.80457 1.36342 -0.72517 1.38754 -0.72766 -2.81624 1.00848 -1.09775 3.13563 2.89162 0.78540 -1.26441 -1.16522 3.01174 0.96193 -2.92559 -0.77065 1.35232 1.36936 -2.75888 -0.63592 -0.86060 1.29434 -2.86588 1.03070 3.11125 -1.08049 -3.13231 -1.05176 1.03969 -0.86117 1.21938 -2.97236 -3.08580 -0.84043 1.19171 1.07185 -2.96597 -0.93383 -0.99421 1.25116 -2.99988 -2.87514 1.26762 -0.74772 -0.75935 -2.89978 1.36807 1.32084 -0.81959 -2.83492 -0.79234 -2.85337 1.31921 -3.03892 1.18323 -0.92737 1.20695 -0.85408 -2.96468 0.84887 -1.28241 2.97480 3.08700 0.95572 -1.07026 -1.16797 2.98394 0.95796 0.24681 -2.90790 2.31095 -0.84376 -1.89327 1.23521 2.96584 0.84502 -1.18523 0.88314 -1.23768 3.01526 -1.18638 2.97599 0.94574 -0.87891 1.22886 -2.96297 1.24517 -2.93025 -0.83889 -2.97635 -0.86858 1.22278 -0.93917 1.20441 -3.07280 1.16122 -2.97838 -0.97241 -3.07711 -0.93353 1.07244 0.07508 2.14970 -2.02901 2.19218 -2.01639 0.08808 -2.00427 0.07034 2.17481 2.63354 0.54166 -1.52536 0.44700 -1.64488 2.57128 -1.65847 2.53284 0.46582 0.22974 -2.90360 2.37500 -0.75833 -1.89882 1.25103 0.03740 -3.11260 -3.09068 0.04251 0.90313 3.03868 -1.18301 -2.25116 -0.11561 1.94588 -0.99305 1.10844 -3.11027 1.12469 -3.05701 -0.99253 -3.13483 -1.03335 1.03113 -3.07262 -0.96222 1.23336 1.07645 -3.09633 -0.90075 -0.95621 1.15419 -2.93342 3.11722 1.01065 -1.18473 0.99908 -1.10749 2.98032 -1.05120 3.12542 0.93004 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000097 0.000016 0.008564 0.001334 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -7.172867e-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 R52 1 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 10 11 11 12 12 12 13 13 14 14 15 15 15 16 16 16 17 18 18 18 19 19 19 20 20 20 21 11 21 4 5 10 22 8 11 16 6 12 23 7 9 24 14 15 18 9 25 26 27 28 13 29 30 13 31 17 32 33 34 35 17 19 20 36 37 38 39 40 41 42 43 44 21 45 46 21 47 48 49 1.9049 1.9169 1.5654 1.5413 1.5547 1.1161 1.5442 1.5482 1.5501 1.5633 1.5466 1.1095 1.578 1.5583 1.1152 1.5429 1.5686 1.5614 1.5521 1.1107 1.1073 1.1054 1.1067 1.5709 1.1039 1.1059 1.5532 1.1034 1.5126 1.1087 1.1135 1.1031 1.1034 1.3607 1.5301 1.5501 1.1099 1.106 1.1039 1.104 1.1025 1.1005 1.1049 1.1053 1.1035 1.5353 1.104 1.1083 1.5293 1.1059 1.105 1.103 -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 = -0.0001|-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 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 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 4 4 4 5 5 10 3 3 3 8 8 11 3 3 3 6 6 12 5 5 5 7 7 9 6 6 6 14 14 15 4 4 4 9 9 25 6 6 6 8 8 27 3 3 3 13 13 29 1 1 1 4 4 13 5 5 5 17 17 32 10 10 10 11 11 34 7 7 17 7 7 7 20 20 36 4 4 4 38 38 39 12 12 14 7 7 7 42 42 43 14 14 14 21 21 45 15 15 15 21 21 47 2 2 2 19 19 20 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 5 10 22 10 22 22 8 11 16 11 16 16 6 12 23 12 23 23 7 9 24 9 24 24 14 15 18 15 18 18 9 25 26 25 26 26 8 27 28 27 28 28 13 29 30 29 30 30 4 13 31 13 31 31 17 32 33 32 33 33 11 34 35 34 35 35 17 19 19 20 36 37 36 37 37 38 39 40 39 40 40 14 41 41 42 43 44 43 44 44 21 45 46 45 46 46 21 47 48 47 48 48 19 20 49 20 49 49 113.6883 104.46 105.7903 119.3157 105.8411 106.8508 107.7741 97.5746 113.1077 115.6545 111.2294 110.8286 109.7087 110.646 109.2812 109.7758 109.3605 108.0372 112.0051 112.9127 105.472 112.7855 106.0632 106.9402 110.0978 108.406 111.573 108.1154 108.8745 109.7096 110.6393 109.0859 110.7605 109.6345 109.7062 106.9353 114.1021 109.8138 109.3753 108.5471 108.5731 106.117 104.0869 112.1023 110.8143 111.9416 110.8033 107.1564 114.509 111.5929 102.2839 105.9911 110.5378 112.0865 112.7821 110.02 109.4376 109.5411 109.3143 105.4842 104.5531 111.4932 112.6695 110.0453 110.9492 107.1689 123.0888 116.867 120.0406 114.3267 108.439 109.6071 108.7522 108.5848 106.8707 112.1184 109.7283 111.7365 107.3604 107.6553 108.0574 124.6763 116.6267 118.6954 110.9233 111.527 111.6467 108.246 107.1346 107.1559 110.6816 110.2147 110.7368 110.3629 107.8387 106.912 109.3429 110.7735 110.0641 109.2142 110.3028 107.1194 108.9143 109.2812 103.2023 111.8717 111.5683 111.6024 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 5 5 5 10 10 10 22 22 22 4 4 4 10 10 10 22 22 22 4 4 4 5 5 5 22 22 22 3 3 3 11 11 11 16 16 16 3 3 3 8 8 8 16 16 16 3 3 3 8 8 8 11 11 11 3 3 3 12 12 12 23 23 23 3 3 3 6 6 6 23 23 23 5 5 5 9 9 9 24 24 24 5 5 5 7 7 7 24 24 24 6 6 15 15 18 18 6 6 6 14 14 14 18 18 18 6 6 6 14 14 14 15 15 15 4 4 4 25 25 25 26 26 26 3 3 3 29 29 29 30 30 30 1 1 1 4 4 4 31 31 31 5 5 32 32 33 33 7 7 19 19 7 7 7 17 17 17 7 7 7 36 36 36 37 37 37 14 14 14 45 45 45 46 46 46 15 15 15 47 47 47 48 48 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 10 10 10 10 10 10 10 10 10 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 16 16 16 16 16 16 16 16 16 6 6 6 6 6 6 6 6 6 12 12 12 12 12 12 12 12 12 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 9 9 9 9 9 9 9 9 9 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 17 17 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 8 11 16 8 11 16 8 11 16 6 12 23 6 12 23 6 12 23 13 29 30 13 29 30 13 29 30 9 25 26 9 25 26 9 25 26 1 13 31 1 13 31 1 13 31 38 39 40 38 39 40 38 39 40 7 9 24 7 9 24 7 9 24 17 32 33 17 32 33 17 32 33 14 15 18 14 15 18 14 15 18 8 27 28 8 27 28 8 27 28 17 19 17 19 17 19 20 36 37 20 36 37 20 36 37 42 43 44 42 43 44 42 43 44 6 27 28 6 27 28 6 27 28 11 34 35 11 34 35 11 34 35 10 34 35 10 34 35 10 34 35 14 41 14 41 14 41 12 41 12 41 21 45 46 21 45 46 21 47 48 21 47 48 21 47 48 2 20 49 2 20 49 2 20 49 2 19 49 2 19 49 2 19 -61.5427 178.3729 61.8386 166.7523 46.6679 -69.8665 54.169 -65.9154 177.5502 56.267 177.5345 -63.6259 -179.7403 -58.4727 60.3668 -59.4148 61.8528 -179.3077 -32.3123 -153.4911 86.8399 -160.6757 78.1455 -41.5234 79.5102 -41.6686 -161.3375 57.785 -62.8973 179.6639 165.6952 45.013 -72.4259 -66.7331 172.5846 55.1458 -167.5755 -44.1133 77.5585 78.5022 -158.0356 -36.3638 -49.2691 74.1932 -164.1351 59.2668 178.4708 -61.696 -179.2793 -60.0753 59.7579 -49.1342 70.0698 -170.097 -176.8265 -48.1949 68.2427 61.3838 -169.9846 -53.547 -56.982 71.6496 -171.9128 -164.7367 72.6375 -42.8236 -43.5088 -166.1346 78.4043 75.6725 -46.9533 -162.4144 -45.3364 -163.4166 75.6673 -174.035 67.8848 -53.0313 69.2322 -48.848 -169.764 48.6792 -73.4328 170.4961 176.9054 54.7935 -61.2777 -66.8835 171.0046 54.9334 14.0769 -166.615 132.3361 -48.3558 -108.5301 70.778 169.966 48.4578 -67.8707 50.6318 -70.8764 172.795 -67.9718 170.5199 54.1914 -50.2482 70.4922 -169.66 71.4659 -167.7938 -47.946 -170.4007 -49.6604 70.1874 -53.837 68.9677 -176.0947 66.5183 -170.6771 -55.7395 -176.3333 -53.5286 61.409 4.3101 123.1796 -116.2707 125.5961 -115.5344 5.0153 -114.8497 4.0198 124.5695 150.8607 31.0149 -87.4196 25.5839 -94.2619 147.3036 -95.0891 145.0651 26.6307 13.1577 -166.3733 136.0512 -43.4799 -108.8249 71.644 2.1824 -178.2955 -177.1046 2.4175 51.7275 174.0952 -67.8134 -128.9421 -6.5744 111.517 -56.9238 63.4872 -178.2367 64.4119 -175.177 -56.9009 -179.6438 -59.2328 59.0434 -176.0136 -55.1046 70.7173 61.7053 -177.3856 -51.5638 -54.7441 66.1649 -168.0132 178.5978 57.9018 -67.9014 57.2381 -63.4578 170.739 -60.2341 179.07 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 299.1092999999998 AuxInfo=1/0/N:18,16,17,12,10,13,20,9,15,8,19,14,21,5,3,6,11,7,4,2,1/CRV:3.3,12.3/rA:49ClClCCCCCCCCCCCC3CCC3CCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s5;s6;s4;s6s8;s3;s1s4;s5;s10s11;s7;s7;s4;s12s14;s7;s14;s15;s2s19s20;s3;s5;s6;s8;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s15;s15;s16;s16;s16;s17;s18;s18;s18;s19;s19;s20;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 11.751054 0.000000 4.016031 8.320537 0.000000 2.780335 9.019003 1.564597 0.000000 5.254002 6.900377 1.533170 2.553295 0.000000 5.733832 6.080325 2.506058 2.983435 1.554500 0.000000 7.111092 4.642454 3.900914 4.391175 2.560720 1.567696 0.000000 3.574223 8.470122 2.496247 1.537075 3.015725 2.591674 3.967942 0.000000 4.939113 7.016033 2.915541 2.518937 2.582870 1.545366 2.574912 1.537921 0.000000 3.956554 9.458736 1.539077 2.443578 2.649056 3.955883 5.202237 3.784620 4.386540 0.000000 1.795465 10.441582 2.383085 1.553871 3.794102 4.375146 5.858700 2.609571 3.934579 2.475317 0.000000 6.499454 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2.812870 2.646990 4.392939 2.997821 3.506875 4.115235 4.038514 4.310319 2.465090 3.091064 0.000000 3.940854 8.675796 2.754192 2.187116 3.446332 2.928429 4.380099 1.105461 2.181151 4.023151 2.788373 4.606863 3.990408 5.412138 4.707122 3.487246 5.485752 5.112361 6.765604 6.238268 6.899761 2.414911 4.119931 2.796910 0.000000 3.335792 9.160213 3.477975 2.184257 4.017607 3.534585 4.744136 1.106470 2.178711 4.601049 2.949279 5.468160 4.369364 6.022150 5.120328 2.748041 6.275040 4.954547 7.313778 6.587650 7.489004 3.667328 4.248434 3.895959 1.763282 0.000000 5.038292 7.093684 3.442214 2.835545 2.948813 2.184066 2.738246 2.168673 1.109991 4.752271 4.322716 4.357518 5.245003 4.139123 3.340002 2.740555 4.701422 2.555189 5.264194 4.632226 5.547681 3.954854 2.834744 3.081146 3.081671 2.447639 0.000000 5.670687 6.800609 3.876903 3.472355 3.523211 2.176571 2.847024 2.164815 1.107099 5.385963 4.747800 4.688897 5.819483 4.262829 2.709026 4.042059 4.924519 3.414347 5.305574 4.162083 5.172233 3.884465 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0.51663 0.25878 0.51680 0.25520 0.51140 0.24709 0.50777 0.25352 0.51118 0.26526 0.51205 0.25703 0.50986 0.20866 -0.8655 0.9717 -0.9690 1.6225 -181.2428 -139.5658 -139.3861 -8.0282 1.4805 0.0299 -27.8446 13.8325 14.0121 -8.0282 1.4805 0.0299 -81.1172 38.2303 -25.9729 5.9846 49.5115 -22.6260 -6.7150 10.3647 -7.2084 0.8437 -12550.4584 -1522.3337 -606.8786 -269.8993 86.5226 -70.7751 8.9085 52.7275 17.9729 -2039.1198 -1832.8824 -360.9644 4.8068 8.5323 -35.5678 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 299.1092999999998 AuxInfo=1/0/N:18,16,17,12,10,13,20,9,15,8,19,14,21,5,3,6,11,7,4,2,1/CRV:3.3,12.3/rA:49ClClCCCCCCCCCCCC3CCC3CCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s5;s6;s4;s6s8;s3;s1s4;s5;s10s11;s7;s7;s4;s12s14;s7;s14;s15;s2s19s20;s3;s5;s6;s8;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s15;s15;s16;s16;s16;s17;s18;s18;s18;s19;s19;s20;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 12.109212 0.000000 4.140181 8.507997 0.000000 2.910751 9.254440 1.565397 0.000000 5.458646 7.078218 1.541324 2.600936 0.000000 5.873035 6.252902 2.538681 3.025564 1.563331 0.000000 7.327860 4.806691 3.954447 4.475758 2.604373 1.578000 0.000000 3.608625 8.670686 2.512180 1.544250 3.038291 2.610147 4.012334 0.000000 5.045971 7.230275 2.936695 2.546273 2.601789 1.558320 2.612112 1.552122 0.000000 4.143730 9.647384 1.554672 2.466348 2.671927 4.000142 5.269304 3.823507 4.422331 0.000000 1.904881 10.606482 2.342315 1.548235 3.792658 4.376054 5.899131 2.617624 3.951298 2.471107 0.000000 6.674236 6.658663 2.539440 3.958463 1.546619 2.544046 3.064324 4.420863 3.942947 3.160806 4.865585 0.000000 2.866828 10.952663 2.464453 2.476786 3.903515 4.953237 6.380248 3.875140 4.933896 1.570888 1.553216 4.633075 0.000000 8.240077 4.217941 4.390938 5.330401 2.916327 2.558069 1.542864 5.163191 3.956953 5.439874 6.619840 2.545848 6.787455 0.000000 8.125668 4.226549 5.078828 5.431472 3.939754 2.552188 1.568591 4.562393 3.135999 6.520256 6.792678 4.327448 7.493727 2.519106 0.000000 3.190000 9.575302 2.599621 1.550128 3.150611 3.694311 4.817250 2.553664 3.094526 3.063523 2.550815 4.579829 3.088247 5.714235 5.933268 0.000000 7.971000 5.229031 3.881531 5.127987 2.547908 2.866288 2.554214 5.288769 4.402364 4.645780 6.216214 1.512618 6.110225 1.360659 3.674683 5.615851 0.000000 7.530791 5.194859 4.593651 4.816464 3.265427 2.596106 1.561360 4.480036 3.042481 5.761092 6.346909 3.976379 6.810450 2.525244 2.559352 4.650874 3.513026 0.000000 9.728964 2.817723 5.920466 6.820486 4.434278 3.962862 2.618296 6.551374 5.220749 6.930001 8.140488 3.939135 8.306519 1.530123 2.964966 7.113450 2.505434 3.197280 0.000000 9.634998 2.819471 6.462031 6.902800 5.174046 3.964961 2.620392 6.090899 4.620906 7.822925 8.293269 5.292966 8.907816 2.955839 1.550084 7.277255 4.257262 3.173541 2.538739 0.000000 10.251280 1.916914 6.648377 7.401658 5.269405 4.383276 3.029690 6.822057 5.435529 7.847801 8.721125 4.939090 9.104651 2.521436 2.512358 7.838569 3.627532 3.778422 1.535268 1.529319 0.000000 4.408954 8.525327 1.116057 2.155660 2.135507 2.709759 4.192228 2.635295 3.177921 2.160678 2.541965 2.738549 2.824863 4.570946 5.064568 3.519022 4.029927 5.133697 6.074162 6.481002 6.626971 0.000000 5.616247 7.228769 2.176225 2.872660 1.109475 2.196573 2.815966 3.485620 2.941173 2.941660 4.156777 2.164622 4.156107 3.149013 4.313869 2.830664 2.908551 2.914232 4.543440 5.409783 5.545164 3.064721 0.000000 6.136977 6.270759 2.787788 3.443187 2.148892 1.115162 2.169677 2.879977 2.164401 4.245117 4.538438 2.664295 5.144647 2.826163 2.633930 4.450458 2.985385 3.517655 4.157404 4.056034 4.354735 2.490831 3.073285 0.000000 3.880487 8.803124 2.754598 2.177170 3.426182 2.914486 4.374532 1.110706 2.191189 4.052801 2.760975 4.558858 4.039441 5.403594 4.710872 3.506031 5.446764 5.148605 6.782101 6.259577 6.920153 2.401405 4.136361 2.741661 0.000000 3.353536 9.379034 3.494512 2.196173 4.050758 3.554311 4.797046 1.107340 2.189609 4.642372 2.990648 5.489434 4.412514 6.078323 5.202459 2.773129 6.313345 5.040176 7.398963 6.691797 7.587598 3.668113 4.331944 3.877106 1.782248 0.000000 5.199000 7.374897 3.427652 2.844729 2.959893 2.194972 2.815340 2.173093 1.105355 4.746591 4.340402 4.385209 5.249053 4.211552 3.497084 2.793807 4.758667 2.628965 5.374502 4.808155 5.702909 3.949959 2.874796 3.083680 3.088787 2.464027 0.000000 5.717444 7.000405 3.910105 3.494503 3.542743 2.190331 2.860276 2.174450 1.106738 5.433304 4.760839 4.712090 5.875178 4.299677 2.784446 4.096031 4.953163 3.382410 5.369876 4.245019 5.268241 3.935102 3.952082 2.452068 2.479498 2.515955 1.768015 0.000000 4.996129 9.712544 2.219707 3.419412 3.116321 4.466558 5.656809 4.620773 5.142723 1.103904 3.276421 3.067796 2.232092 5.563184 6.872452 4.153426 4.561593 6.328641 7.000170 8.105319 7.942211 2.411477 3.546986 4.509780 4.651237 5.521480 5.586720 6.088667 0.000000 4.603115 9.671936 2.204967 2.943163 2.845516 4.310837 5.367567 4.366322 4.758879 1.105894 3.190018 3.319783 2.219163 5.468318 6.766264 2.977577 4.684527 5.596855 6.890985 7.967727 7.960520 3.075690 2.694960 4.778118 4.812512 5.113971 4.848108 5.838356 1.778154 0.000000 2.395948 10.669442 2.715068 2.193930 4.160025 4.530948 6.106573 2.733002 4.141181 3.035818 1.103448 5.086818 2.217870 6.812588 6.810074 3.497117 6.407214 6.775841 8.319072 8.337381 8.757079 2.429606 4.756783 4.427263 2.419722 3.141680 4.758173 4.771238 3.571945 3.959393 0.000000 6.857486 7.356721 2.892713 4.341062 2.189801 3.500353 3.973083 5.108966 4.775431 2.951969 5.085456 1.108672 4.518820 3.330156 5.338949 4.760189 2.153838 4.620653 4.579721 6.216173 5.761713 3.276372 2.418539 3.732807 5.325831 6.139611 5.077579 5.647652 2.713276 2.855281 5.437016 0.000000 6.682241 7.054931 2.648757 4.144562 2.185862 2.937539 3.676106 4.528847 4.276565 3.229938 4.794543 1.113463 4.572023 3.188147 4.668202 5.074687 2.154517 4.828274 4.513525 5.694672 5.298757 2.393664 3.072132 2.626214 4.396913 5.634281 4.936801 4.937837 2.879638 3.698276 4.788244 1.768640 0.000000 2.827381 11.609013 3.249608 3.012897 4.536307 5.647349 6.990614 4.489746 5.518464 2.225815 2.191757 5.332526 1.103082 7.425378 8.186642 3.086335 6.774446 7.203620 8.920160 9.570890 9.801847 3.819374 4.537020 5.995048 4.839624 4.860129 5.635143 6.504907 2.950974 2.368930 3.059616 5.080576 5.430499 0.000000 3.324207 11.604785 3.210585 3.390441 4.676292 5.702145 7.161123 4.628178 5.761417 2.240792 2.203490 5.175626 1.103364 7.466704 8.204258 4.168665 6.681873 7.735688 8.979114 9.623807 9.743646 3.244758 5.066454 5.713839 4.561854 5.168091 6.197941 6.629313 2.410290 3.001103 2.409473 5.028456 4.903249 1.775599 0.000000 8.097559 4.550414 5.003857 5.470892 4.043915 2.665639 2.189414 4.548888 3.355526 6.456241 6.674929 4.263534 7.389383 2.829163 1.109854 6.241149 3.719825 3.507988 3.372895 2.177303 2.775129 4.747625 4.670613 2.266417 4.431943 5.268446 4.010331 2.933474 6.687690 6.864758 6.521546 5.347759 4.333576 8.196575 7.975546 0.000000 7.836069 4.990890 5.310177 5.339839 4.350419 2.845326 2.201852 4.260034 2.832737 6.813661 6.715488 5.046758 7.604088 3.481552 1.106033 5.763143 4.601957 2.745315 3.970035 2.172300 3.465641 5.334439 4.651897 3.041117 4.481008 4.687950 3.085387 2.195547 7.302806 7.073724 6.740177 6.047282 5.393730 8.247028 8.360268 1.779769 0.000000 3.326302 10.177263 2.875925 2.215861 3.528605 4.427660 5.505645 3.526620 4.088303 2.749163 2.744988 4.749143 2.724920 6.185035 6.761573 1.103886 5.891748 5.301751 7.585964 8.051628 8.468762 3.878757 3.079652 5.164349 4.363716 3.798729 3.795265 5.133667 3.829533 2.384603 3.817131 4.671447 5.267665 2.409722 3.813834 7.063596 6.700057 0.000000 2.825335 10.278964 3.547003 2.185617 4.155659 4.448595 5.540485 2.796350 3.504697 4.006575 2.875034 5.630613 3.680722 6.595937 6.492281 1.103953 6.617665 5.262614 7.950945 7.846735 8.565409 4.328867 3.857701 5.175172 3.769287 2.559583 3.095503 4.334565 5.102358 3.971234 3.771751 5.858346 6.082162 3.539355 4.695297 6.825410 6.145748 1.778909 0.000000 4.261105 8.739505 2.888373 2.210010 2.856250 3.262530 4.091961 2.823856 2.766339 3.565060 3.515266 4.301762 3.974190 5.024451 5.273213 1.102473 5.094464 3.682107 6.326970 6.503808 7.084804 3.863452 2.270797 4.210692 3.863180 3.116706 2.177278 3.771547 4.582946 3.307946 4.366658 4.533764 4.986793 4.012917 5.060337 5.744168 5.119480 1.781073 1.785686 0.000000 8.890994 5.213422 4.760619 6.106744 3.537259 3.957224 3.543661 6.347397 5.499934 5.304946 7.093592 2.234065 6.824811 2.121390 4.513829 6.583419 1.100453 4.414115 2.679668 4.830308 3.879503 4.854350 3.833921 3.971426 6.450995 7.388344 5.849202 6.024040 5.034748 5.292710 7.263178 2.493234 2.656533 7.477031 7.304984 4.499473 5.517395 6.753517 7.616585 6.077585 0.000000 7.081292 6.015800 4.179449 4.421637 2.902060 2.777338 2.211485 4.434697 3.230025 5.133320 5.919445 3.691477 6.207509 2.875017 3.525022 4.018919 3.491540 1.104856 3.734972 4.214364 4.616173 4.917377 2.214937 3.827060 5.221754 5.011637 2.672119 3.868827 5.754737 4.800316 6.496843 4.111144 4.672385 6.481397 7.179605 4.352758 3.727843 4.505249 4.715912 2.996650 4.371190 0.000000 7.329584 5.748765 4.947169 4.826211 3.843885 2.948016 2.219445 4.259479 2.812029 6.199206 6.370338 4.811668 7.043968 3.493421 2.738948 4.573941 4.504284 1.105270 4.114993 3.436180 4.400620 5.475490 3.516313 3.861676 5.001994 4.595496 2.182591 2.953308 6.887927 6.085147 6.793800 5.498999 5.581708 7.396271 8.004185 3.728414 2.461955 5.367219 4.967264 3.615475 5.455903 1.790815 0.000000 8.616098 4.495956 5.581366 5.898479 4.163897 3.558456 2.219644 5.575083 4.111260 6.673585 7.421039 4.597837 7.807872 2.695575 2.905714 5.673702 3.814051 1.103537 2.808155 2.943521 3.407088 6.104160 3.766180 4.365115 6.208818 6.119838 3.692756 4.330700 7.166550 6.433335 7.851648 5.169099 5.481801 8.178094 8.723919 3.929331 3.210794 6.252706 6.281783 4.662320 4.518637 1.776775 1.777351 0.000000 10.360234 3.006014 6.383070 7.456993 4.940371 4.712596 3.551134 7.322313 6.094534 7.228786 8.680684 4.112073 8.685300 2.174315 3.952469 7.798695 2.599743 4.183288 1.104045 3.495191 2.180727 6.487556 5.084954 4.792468 7.486276 8.237903 6.305549 6.307742 7.142083 7.174291 8.837501 4.594066 4.595310 9.314242 9.277925 4.172029 5.003244 8.164329 8.707691 7.064261 2.298226 4.560844 5.160039 3.785559 0.000000 10.034305 2.902338 6.378734 7.151474 4.843781 4.426586 2.958786 6.924612 5.521158 7.342819 8.551631 4.531064 8.710631 2.184117 3.408337 7.210820 3.183774 2.959340 1.108255 2.809379 2.151215 6.695454 4.702429 4.848182 7.308610 7.686025 5.452161 5.703439 7.516831 7.156705 8.847778 5.042550 5.277466 9.213037 9.471767 4.080829 4.238292 7.656526 8.003107 6.310581 3.374252 3.444983 3.858860 2.238450 1.777363 0.000000 9.885637 2.949800 6.852419 7.179478 5.504251 4.380245 2.914252 6.422825 4.884206 8.170812 8.650032 5.747564 9.254452 3.345762 2.200398 7.322547 4.704280 2.880933 2.804991 1.105894 2.162177 7.033771 5.521923 4.717158 6.760891 6.930199 4.818612 4.570110 8.545401 8.184165 8.815869 6.574638 6.316098 9.813380 10.056781 3.102447 2.515027 8.079201 7.839714 6.438540 5.281864 3.926734 3.041725 2.370067 3.815330 2.621858 0.000000 10.228661 2.994439 7.243695 7.603776 6.061248 4.734146 3.566272 6.629182 5.220220 8.663644 8.944866 6.200538 9.668698 3.965558 2.190667 8.066229 5.207101 4.154589 3.497170 1.104996 2.175443 7.150735 6.381748 4.665468 6.687965 7.149893 5.481853 4.637169 8.935927 8.890977 8.890253 7.174007 6.477616 10.376037 10.343856 2.493205 2.502593 8.906046 8.558013 7.344001 5.742402 5.228285 4.229715 3.952068 4.334273 3.806016 1.778609 0.000000 10.352575 2.420135 6.696859 7.546853 5.442330 4.558406 3.479735 6.936541 5.682435 7.891190 8.748016 4.954456 9.126415 2.878850 2.838862 8.183221 3.717153 4.544067 2.195172 2.190341 1.103030 6.496976 5.912531 4.256090 6.859406 7.758404 6.140465 5.467842 7.870887 8.132842 8.655668 5.829484 5.081893 9.915951 9.658319 2.649441 3.831416 8.814945 8.934379 7.543817 3.872908 5.343178 5.154372 4.352502 2.491745 3.079280 3.089242 2.496277 0.000000 0.7826247 0.1083193 0.1006700 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= 259 259 259 259 259 MxSgAt= 49 MxSgA2= 49. 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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= 18145 NPrTT= 88094 LenC2= 15942 LenP2D= 50174. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 282 RedAO= T EigKep= 7.58D-04 NBF= 282 NBsUse= 282 1.00D-06 EigRej= -1.00D+00 NBFU= 282 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= 257 258 258 258 258 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 0 1 -1659.27284834768 -1659.38179543285 -0.108947085170 -1659.71446168515 -0.332666252301 -1659.71483125937 -0.000369574221 -1659.72984958878 -0.015018329409 -1659.73099798623 -0.001148397448 -1659.73105915248 -0.000061166247 -1659.73106322924 -0.000004076764 -1659.73124820138 -0.000184972138 -1659.73125580071 -0.000007599335 -1659.73125567265 0.000000128065 -1659.73125587328 -0.000000200629 -1659.73125587833 -0.000000005051 -1659.73125587944 -0.000000001112 -1659.73125587949 -0.000000000053 -1659.73125587952 -0.000000000021 -1659.73125588 16 1.653865383590e+03 -8.076888266770e+03 2.676075917984e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 260604 IEndB= 260604 NGot= 402653184 MDV= 402489027 LenX= 402489027 LenY= 402409062 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. -3.40525597e-01 3.82306453e-01 -3.81252718e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 17 17 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 1 1 1 -0.032557838 -0.024340893 0.010422884 0.035234142 0.001160334 0.005352263 -0.001914695 -0.003598766 0.004796511 -0.000346630 0.001338730 -0.015058747 -0.000955952 0.003204667 -0.005800808 0.002045561 0.001673196 0.003509979 -0.004980944 -0.000522300 -0.007831941 -0.004434195 -0.005548455 0.000392866 0.002474265 -0.007592955 0.000650825 0.003629737 0.006900377 0.000058641 0.020485429 0.010679199 -0.012101839 -0.008054705 0.001658117 0.002661605 -0.007182551 0.011323659 0.000481271 0.009663895 -0.006737214 -0.001191630 -0.001896997 -0.005676707 -0.001264525 0.003714276 0.002808811 0.006181995 -0.010885334 0.013980380 -0.003583818 0.000356257 -0.002775732 0.005192347 0.002132746 0.008364827 0.006280829 -0.000158605 -0.008114090 -0.001917730 -0.013128825 -0.001151324 -0.005477360 -0.000516764 -0.002608044 0.004207972 -0.000051468 0.002572221 -0.006361393 -0.000071973 0.000902715 0.003383146 -0.000089199 0.003179377 -0.002715052 0.000105838 -0.001590445 0.001052241 -0.002540704 0.000485969 -0.003983612 -0.000587605 -0.000158658 -0.000006329 0.000728048 0.002718529 -0.001076259 0.000805944 -0.000821670 0.002418518 0.002929729 0.000929756 0.004353865 0.000025832 0.000686883 -0.000485849 -0.002188401 -0.000297975 -0.001222322 -0.000033843 -0.003071171 -0.000573518 -0.000828503 -0.000066079 -0.001843590 -0.000126915 0.001699645 -0.000956279 0.000632797 0.000360986 0.000700905 -0.002916864 0.003685332 0.002771656 -0.002096531 -0.003749019 -0.000702148 0.002803368 -0.000678162 0.002279004 0.008006085 0.003321229 0.000039237 -0.001682377 0.003690614 0.003249633 0.000557858 -0.005028757 0.001385618 0.004571529 -0.000195375 0.002635557 -0.002798970 -0.001977251 -0.001187811 0.003412201 -0.004382151 -0.003461631 0.001002390 0.003795721 -0.000987970 -0.000206162 0.001802116 -0.000741326 -0.002084379 -0.002240194 0.006074118 0.035234142 0.006436029 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -1659.74778649561 -1659.74778040707 0.000006088536 -1659.74795107230 -0.000170665227 -1659.74795614617 -0.000005073871 -1659.74795580012 0.000000346049 -1659.74795672436 -0.000000924236 -1659.74795677607 -0.000000051713 -1659.74795677696 -0.000000000889 -1659.74795677708 -0.000000000126 -1659.74795677706 0.000000000029 -1659.74795678 10 1.653035225097e+03 -8.009523695080e+03 2.642798768650e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 260604 IEndB= 260604 NGot= 402653184 MDV= 402489027 LenX= 402489027 LenY= 402409062 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. (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 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 -100.675369 -100.672458 -9.959019 -9.955488 -9.923452 -9.918186 -9.909404 -9.906537 -9.906166 -9.905949 -9.905389 -9.905188 -9.904729 -9.903555 -9.901300 -9.900743 -9.899823 -9.895558 -9.894588 -9.889324 -9.883619 -9.154218 -9.151295 -6.979380 -6.976438 -6.966686 -6.966446 -6.963735 -6.963650 -0.804423 -0.791040 -0.764124 -0.738536 -0.721391 -0.713341 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0.290296 0.292405 0.299420 0.300765 0.308300 0.315071 0.321548 0.330279 0.337485 0.345103 0.346817 0.354542 0.362284 0.365259 0.374334 0.376762 0.381571 0.393785 0.400170 0.408772 0.412394 0.417736 0.423510 0.434120 0.435584 0.440948 0.443593 0.450525 0.451811 0.463316 0.479651 0.489632 0.499267 0.505541 0.511108 0.514372 0.529003 0.530693 0.542630 0.553586 0.564849 0.567044 0.577184 0.581816 0.588497 0.608750 0.611721 0.618257 0.635339 0.652485 0.672338 0.680813 0.708799 0.717286 0.728775 0.739348 0.751911 0.757575 0.767109 0.781640 0.825629 0.834600 0.855678 0.873441 0.889540 0.894460 0.905564 0.922600 0.943482 0.948955 0.954931 0.964305 0.980748 0.991083 0.997784 1.003043 1.014370 1.023362 1.038626 1.039829 1.067186 1.075784 1.081931 1.090901 1.096448 1.107198 1.118799 1.129188 1.135259 1.138674 1.157310 1.164253 1.172379 1.178033 1.187382 1.212446 1.227810 1.234682 1.257167 1.278354 1.291634 1.311034 1.326376 1.337056 1.361575 1.397628 1.429869 1.442230 1.465018 1.491411 1.521444 1.620397 1.643986 5.921123 5.925529 5.931833 5.940817 5.949293 5.952816 8.739630 8.780556 22.399168 22.496172 22.533697 22.587843 22.597075 22.602411 22.617881 22.627931 22.640752 22.651812 22.665774 22.680939 22.695728 22.701379 22.708541 22.730904 22.748891 22.772300 22.791982 217.623017 217.671325 137.017021 137.017053 15.959304 15.958179 15.958543 15.958157 15.955025 15.956530 15.955689 15.958005 15.956813 15.956827 15.957527 15.956740 15.956376 15.957409 15.954937 15.956995 15.956704 15.955702 15.955785 21.398247 21.398194 20.480266 20.480281 20.496807 20.497088 20.496833 20.496973 1.373066 1.490595 1.818669 2.273136 1.403970 2.000950 1.569481 1.801210 1.596830 1.544413 1.372297 1.644647 1.540288 1.461825 1.337982 1.475418 1.380301 1.366103 1.334945 1.134939 1.207045 1.029570 1.023852 1.110222 1.082197 1.167305 1.139392 1.119455 1.077565 1.055816 1.298014 1.221797 1.075245 1.149440 1.281486 1.260021 1.158336 1.121517 1.173804 1.313828 1.444747 1.368121 1.292700 1.459368 1.379839 1.298733 1.295848 1.379000 1.367444 1.302395 1.316892 1.210224 1.711554 1.603618 2.287673 2.286222 2.275364 2.037859 1.253033 1.910766 2.468231 1.977344 1.108375 1.121778 1.127363 1.165484 1.148300 1.075980 1.130301 1.145159 1.069859 1.182910 1.112414 1.071859 1.098455 1.245126 1.134358 1.408208 1.204192 1.128584 1.295813 1.152477 1.230380 1.363612 1.205509 1.451334 1.169768 1.390915 1.304946 1.285589 1.234343 1.273536 1.274285 1.348654 1.167204 1.390895 1.316639 1.394139 1.314863 1.324570 1.300770 1.473211 1.603486 1.450829 1.364420 1.514759 1.424622 1.550276 1.524834 1.460167 1.619808 1.557139 1.407536 1.671728 1.525791 1.719101 1.497661 1.426460 1.656311 1.634904 1.738458 1.516725 1.920782 2.100058 1.799242 2.019233 2.026328 2.071453 2.195515 2.435660 2.134324 1.925253 2.531313 2.187235 2.297526 1.897212 1.948324 2.295995 2.368477 1.929953 2.284939 2.525784 1.902558 1.992390 2.295081 2.224096 1.928917 2.322470 2.112782 2.095791 2.049611 1.915431 2.353092 2.177676 2.179219 2.001369 2.198924 2.254169 2.411918 2.111023 2.439159 2.166015 2.129282 2.315153 2.469172 2.854009 2.794494 2.533660 2.757277 2.714894 2.644431 2.334184 2.387638 2.799597 2.945748 2.609058 2.719248 2.916054 2.825990 2.921247 3.030945 3.011785 2.911220 3.139435 3.081179 3.106381 3.025062 2.978239 2.977276 3.024549 2.892458 3.049505 3.086524 2.850875 2.854093 2.937559 2.834015 2.688403 2.833371 2.740149 2.829542 2.757279 2.760977 2.866494 2.756953 2.800862 2.838853 2.710504 2.671965 2.711305 2.966976 2.835639 2.821089 2.921831 2.924169 2.853208 2.950370 3.257294 2.908605 3.073043 2.960463 3.074708 3.318380 3.295309 16.526361 16.523325 16.521730 16.528474 16.573409 16.562715 34.794973 34.821625 57.416000 57.417209 57.410164 57.413075 57.408540 57.407842 57.405473 57.403662 57.401727 57.390437 57.383877 57.388371 57.393551 57.383601 57.386389 57.396505 57.397147 57.394247 57.403827 561.792078 561.848142 1.653035225097D+03 PT6466.100S Sun Dec 3 05:27:58 2017 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 Cl Cl 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 H H H -0.022789 -0.032280 -0.148927 0.523347 -0.147940 -0.128965 0.271771 -0.549889 -0.530298 -0.556395 -0.638771 -0.514117 -0.386136 0.505229 -0.518908 -0.835730 -0.498400 -0.831425 -0.598565 -0.399959 -0.439263 0.213782 0.248793 0.219081 0.205667 0.222512 0.216389 0.220430 0.214028 0.236601 0.300086 0.218779 0.218804 0.243920 0.222163 0.215818 0.223709 0.241373 0.242881 0.229880 0.223679 0.231261 0.224590 0.227999 0.241510 0.238717 0.223560 0.230920 0.281479 0.00000 -9.91819 -9.90940 -9.90654 -9.90617 -9.90595 -9.90539 -9.90519 -9.90473 -9.90356 -9.90130 -9.90074 -9.89982 -9.89556 -9.89459 -9.88932 -9.88362 -9.15422 -9.15130 -6.97938 -6.97644 -6.96669 -6.96645 -6.96374 -6.96365 -0.80442 -0.79104 -0.76412 -0.73854 -0.72139 -0.71334 -0.69566 -0.67890 -0.65885 -0.64715 -0.61924 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6PY 6PZ 22 H 1S 2S 23 H 1S 2S 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 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 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 1 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|3 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 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 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|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 0.74382 1.22404 0.97421 1.01133 1.08156 0.92174 1.79080 1.79542 1.80139 0.22881 0.22845 0.22791 0.76503 0.82358 0.90049 0.75848 0.85189 0.95492 0.74382 1.22404 0.97410 1.01180 1.07937 0.92907 1.78370 1.80237 1.80151 0.22945 0.22788 0.22801 0.67382 0.91248 0.90103 0.60880 0.98906 0.96439 1.17434 0.81392 0.71673 0.62403 0.87073 0.84713 0.89339 0.04942 0.03855 0.10037 1.17437 0.81388 0.72208 0.49485 0.84132 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0.14832 1.17441 0.81399 0.74324 0.60075 0.89557 0.92742 0.76955 0.14906 0.13214 0.26937 1.17424 0.81420 0.72054 0.74361 0.92511 0.91544 0.86716 0.26320 0.23909 0.16328 1.17425 0.81411 0.72123 0.68197 0.86694 0.91325 0.90235 0.10219 0.20143 0.20970 1.17428 0.81418 0.72210 0.63458 0.86788 0.86605 0.93333 0.08971 0.08246 0.20288 1.17458 0.81394 0.73101 0.73643 0.67065 0.91168 0.93075 0.07963 0.08177 0.25335 0.51558 0.28034 0.51795 0.23224 0.51453 0.29146 0.51371 0.29174 0.51324 0.26204 0.51802 0.25234 0.51691 0.26778 0.51668 0.26992 0.51551 0.24789 0.51477 0.20203 0.51319 0.26386 0.51005 0.27573 0.51147 0.24154 0.51463 0.26543 0.51353 0.27595 0.51559 0.26280 0.51314 0.25615 0.50834 0.25033 0.51465 0.26107 0.51582 0.27061 0.51214 0.26115 0.51247 0.26260 0.51373 0.25994 0.51304 0.24657 0.50960 0.25568 0.51220 0.26187 0.51243 0.25794 0.51372 0.21276 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 Cl Cl 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 H H H -0.083869 -0.084715 -0.128606 0.487304 -0.187615 -0.088432 0.268716 -0.520017 -0.541961 -0.540960 -0.551481 -0.495616 -0.394342 0.472405 -0.516536 -0.807861 -0.475488 -0.825867 -0.587417 -0.387447 -0.383796 0.204081 0.249811 0.194007 0.194554 0.224714 0.229641 0.215305 0.213403 0.236598 0.283201 0.222959 0.214214 0.246984 0.219936 0.210515 0.221604 0.230715 0.241326 0.224282 0.213567 0.226712 0.224933 0.226337 0.240395 0.234726 0.225926 0.229632 0.273523 0.00000 -3.41090529e-01 4.64881434e-01 -2.40582668e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.8670 1.1816 -0.6115 1.5880 -188.5882 -139.3201 -139.5955 -10.0809 0.0546 -0.7237 -32.7536 16.5145 16.2391 -10.0809 0.0546 -0.7237 -88.2949 39.3155 -9.0683 7.3480 56.1307 -0.2875 -6.2916 10.9875 -2.0925 3.6943 -13441.3852 -1545.8996 -614.6678 -364.9346 9.3536 -111.0371 -2.0110 10.9017 8.8945 -2128.9727 -1925.2067 -369.8993 -13.4374 -8.5382 -53.2707 0 -1659.7479568 6.858E-9 3.97E-5 -24.3514978,12.2781227,12.0733751,-7.4949292,0.0405963,-0.5380426 C01 [X(C19H28Cl2)] -0.3410905 0.4648814 -0.2405827 @ 0.000079016 0.000054715 -0.000025959 -0.000057325 0.000006459 -0.000006436 -0.000029489 -0.000103849 0.000035727 0.000087019 0.000074841 0.000002233 0.000034210 0.000035933 -0.000045371 0.000004004 0.000001548 0.000022175 -0.000081838 -0.000026138 -0.000023246 -0.000069804 -0.000045659 -0.000015086 0.000080060 -0.000000647 -0.000020684 -0.000007247 0.000045421 -0.000091132 -0.000103364 -0.000162086 -0.000000926 -0.000015372 -0.000017510 0.000038058 -0.000010708 0.000128844 0.000084414 0.000069776 -0.000031899 -0.000022518 0.000042034 0.000000046 0.000028818 -0.000021957 0.000005529 0.000040590 -0.000092986 0.000063342 -0.000026155 -0.000048094 0.000024428 0.000039152 0.000002567 0.000071152 0.000089126 -0.000036433 -0.000070949 -0.000006032 0.000097272 0.000022807 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-0.000009016 0.000011169 -0.000005276 -0.000012729 -0.000014172 -0.000002896 299.1092999999998 AuxInfo=1/0/N:18,16,17,12,10,13,20,9,15,8,19,14,21,5,3,6,11,7,4,2,1/CRV:3.3,12.3/rA:49ClClCCCCCCCCCCCC3CCC3CCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s5;s6;s4;s6s8;s3;s1s4;s5;s10s11;s7;s7;s4;s12s14;s7;s14;s15;s2s19s20;s3;s5;s6;s8;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s15;s15;s16;s16;s16;s17;s18;s18;s18;s19;s19;s20;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2075 CBGUSER 000223759 EM64L-G09RevD.01 3-Dec-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 141 C1[X(C19H28Cl2)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 299.1092999999998 0 1 AuxInfo=1/0/N:18,16,17,12,10,13,20,9,15,8,19,14,21,5,3,6,11,7,4,2,1/CRV:3.3,12.3/rA:49ClClCCCCCCCCCCCC3CCC3CCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s5;s6;s4;s6s8;s3;s1s4;s5;s10s11;s7;s7;s4;s12s14;s7;s14;s15;s2s19s20;s3;s5;s6;s8;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s15;s15;s16;s16;s16;s17;s18;s18;s18;s19;s19;s20;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-25331.inp" -scrdir="/scratch/" chk=000223759-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 000223759 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 35 35 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 1 1 1 34.9688527 34.9688527 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 1.0078250 1.0078250 1.0078250 3 3 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 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 (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| 0.000290 0.000071 0.040056 0.010838 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -7.198470e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2053.9417006814 282 640 282 88 88 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 49 49 49 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 0 299.1092999999998 AuxInfo=1/0/N:18,16,17,12,10,13,20,9,15,8,19,14,21,5,3,6,11,7,4,2,1/CRV:3.3,12.3/rA:49ClClCCCCCCCCCCCC3CCC3CCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s5;s6;s4;s6s8;s3;s1s4;s5;s10s11;s7;s7;s4;s12s14;s7;s14;s15;s2s19s20;s3;s5;s6;s8;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s15;s15;s16;s16;s16;s17;s18;s18;s18;s19;s19;s20;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 12.109213 0.000000 4.140181 8.507998 0.000000 2.910751 9.254440 1.565397 0.000000 5.458646 7.078218 1.541324 2.600936 0.000000 5.873035 6.252902 2.538681 3.025565 1.563331 0.000000 7.327860 4.806692 3.954447 4.475758 2.604373 1.578000 0.000000 3.608624 8.670687 2.512180 1.544250 3.038292 2.610148 4.012335 0.000000 5.045970 7.230275 2.936695 2.546272 2.601789 1.558321 2.612112 1.552122 0.000000 4.143731 9.647384 1.554672 2.466348 2.671926 4.000142 5.269303 3.823507 4.422331 0.000000 1.904881 10.606482 2.342314 1.548235 3.792657 4.376054 5.899130 2.617624 3.951297 2.471107 0.000000 6.674236 6.658663 2.539441 3.958463 1.546619 2.544045 3.064323 4.420863 3.942947 3.160806 4.865585 0.000000 2.866829 10.952664 2.464453 2.476786 3.903515 4.953237 6.380248 3.875140 4.933896 1.570888 1.553217 4.633075 0.000000 8.240077 4.217942 4.390938 5.330401 2.916327 2.558068 1.542863 5.163191 3.956953 5.439874 6.619840 2.545848 6.787454 0.000000 8.125668 4.226549 5.078827 5.431471 3.939754 2.552188 1.568591 4.562393 3.135999 6.520255 6.792677 4.327447 7.493727 2.519106 0.000000 3.190000 9.575302 2.599620 1.550128 3.150610 3.694311 4.817249 2.553664 3.094525 3.063523 2.550816 4.579829 3.088247 5.714234 5.933267 0.000000 7.971001 5.229032 3.881531 5.127987 2.547909 2.866287 2.554214 5.288769 4.402364 4.645780 6.216213 1.512618 6.110225 1.360659 3.674683 5.615850 0.000000 7.530791 5.194859 4.593652 4.816464 3.265428 2.596106 1.561361 4.480036 3.042482 5.761092 6.346909 3.976379 6.810451 2.525244 2.559351 4.650874 3.513027 0.000000 9.728965 2.817722 5.920466 6.820487 4.434279 3.962862 2.618296 6.551374 5.220750 6.930001 8.140488 3.939135 8.306520 1.530124 2.964966 7.113450 2.505435 3.197281 0.000000 9.634998 2.819472 6.462031 6.902800 5.174046 3.964961 2.620393 6.090900 4.620906 7.822925 8.293269 5.292966 8.907816 2.955840 1.550085 7.277255 4.257263 3.173541 2.538739 0.000000 10.251280 1.916914 6.648378 7.401658 5.269406 4.383276 3.029690 6.822058 5.435530 7.847801 8.721125 4.939090 9.104651 2.521437 2.512358 7.838569 3.627533 3.778422 1.535268 1.529319 0.000000 4.408954 8.525327 1.116056 2.155660 2.135506 2.709759 4.192227 2.635295 3.177921 2.160678 2.541965 2.738549 2.824864 4.570945 5.064567 3.519022 4.029926 5.133696 6.074162 6.481002 6.626971 0.000000 5.616248 7.228768 2.176225 2.872660 1.109474 2.196572 2.815966 3.485620 2.941173 2.941659 4.156777 2.164622 4.156108 3.149012 4.313868 2.830664 2.908550 2.914233 4.543440 5.409783 5.545164 3.064720 0.000000 6.136977 6.270760 2.787788 3.443187 2.148893 1.115162 2.169676 2.879977 2.164401 4.245117 4.538437 2.664295 5.144647 2.826163 2.633930 4.450457 2.985385 3.517655 4.157404 4.056034 4.354735 2.490831 3.073285 0.000000 3.880487 8.803125 2.754597 2.177170 3.426182 2.914487 4.374532 1.110706 2.191189 4.052800 2.760974 4.558857 4.039441 5.403594 4.710872 3.506031 5.446764 5.148605 6.782101 6.259577 6.920154 2.401404 4.136361 2.741661 0.000000 3.353535 9.379035 3.494511 2.196173 4.050757 3.554312 4.797046 1.107340 2.189609 4.642372 2.990647 5.489433 4.412513 6.078323 5.202459 2.773129 6.313345 5.040176 7.398964 6.691798 7.587599 3.668112 4.331944 3.877105 1.782248 0.000000 5.199000 7.374897 3.427652 2.844729 2.959893 2.194972 2.815340 2.173093 1.105355 4.746591 4.340402 4.385209 5.249053 4.211552 3.497084 2.793807 4.758667 2.628965 5.374502 4.808155 5.702909 3.949958 2.874796 3.083680 3.088787 2.464027 0.000000 5.717443 7.000406 3.910105 3.494503 3.542744 2.190332 2.860276 2.174450 1.106738 5.433304 4.760838 4.712091 5.875178 4.299677 2.784446 4.096031 4.953164 3.382410 5.369876 4.245019 5.268242 3.935102 3.952082 2.452068 2.479499 2.515955 1.768014 0.000000 4.996130 9.712544 2.219708 3.419412 3.116321 4.466558 5.656808 4.620773 5.142723 1.103905 3.276421 3.067796 2.232092 5.563184 6.872452 4.153426 4.561593 6.328642 7.000171 8.105320 7.942211 2.411477 3.546987 4.509780 4.651237 5.521480 5.586721 6.088667 0.000000 4.603115 9.671937 2.204968 2.943163 2.845516 4.310837 5.367567 4.366323 4.758879 1.105894 3.190018 3.319783 2.219163 5.468318 6.766264 2.977578 4.684527 5.596856 6.890986 7.967728 7.960521 3.075690 2.694961 4.778119 4.812512 5.113971 4.848109 5.838357 1.778154 0.000000 2.395948 10.669443 2.715068 2.193929 4.160025 4.530948 6.106572 2.733002 4.141181 3.035819 1.103447 5.086818 2.217870 6.812588 6.810073 3.497117 6.407214 6.775842 8.319073 8.337381 8.757080 2.429607 4.756783 4.427263 2.419722 3.141679 4.758173 4.771238 3.571945 3.959393 0.000000 6.857487 7.356721 2.892714 4.341062 2.189801 3.500353 3.973083 5.108967 4.775431 2.951969 5.085456 1.108672 4.518820 3.330156 5.338948 4.760189 2.153838 4.620654 4.579721 6.216174 5.761714 3.276372 2.418539 3.732807 5.325831 6.139611 5.077580 5.647652 2.713276 2.855281 5.437016 0.000000 6.682241 7.054931 2.648757 4.144562 2.185862 2.937539 3.676105 4.528848 4.276565 3.229938 4.794543 1.113463 4.572023 3.188147 4.668201 5.074687 2.154516 4.828275 4.513526 5.694672 5.298757 2.393664 3.072132 2.626215 4.396913 5.634281 4.936801 4.937838 2.879639 3.698277 4.788245 1.768640 0.000000 2.827382 11.609013 3.249608 3.012896 4.536307 5.647348 6.990613 4.489746 5.518463 2.225815 2.191757 5.332525 1.103082 7.425377 8.186641 3.086334 6.774446 7.203620 8.920160 9.570890 9.801847 3.819373 4.537021 5.995048 4.839624 4.860128 5.635143 6.504907 2.950974 2.368930 3.059616 5.080576 5.430499 0.000000 3.324207 11.604785 3.210584 3.390441 4.676292 5.702145 7.161123 4.628178 5.761417 2.240792 2.203490 5.175626 1.103363 7.466704 8.204257 4.168665 6.681872 7.735688 8.979114 9.623807 9.743646 3.244758 5.066455 5.713839 4.561853 5.168090 6.197941 6.629313 2.410290 3.001103 2.409473 5.028456 4.903249 1.775599 0.000000 8.097559 4.550414 5.003857 5.470893 4.043916 2.665639 2.189414 4.548889 3.355526 6.456241 6.674929 4.263533 7.389383 2.829163 1.109854 6.241149 3.719825 3.507988 3.372895 2.177303 2.775129 4.747625 4.670613 2.266417 4.431944 5.268446 4.010331 2.933475 6.687690 6.864758 6.521547 5.347758 4.333576 8.196575 7.975546 0.000000 7.836069 4.990891 5.310177 5.339839 4.350419 2.845327 2.201852 4.260034 2.832737 6.813661 6.715488 5.046757 7.604088 3.481552 1.106033 5.763142 4.601957 2.745315 3.970036 2.172300 3.465641 5.334438 4.651897 3.041116 4.481008 4.687950 3.085387 2.195547 7.302806 7.073724 6.740176 6.047282 5.393729 8.247027 8.360268 1.779769 0.000000 3.326302 10.177263 2.875925 2.215861 3.528604 4.427660 5.505645 3.526620 4.088303 2.749163 2.744988 4.749143 2.724921 6.185034 6.761573 1.103886 5.891748 5.301752 7.585965 8.051628 8.468762 3.878756 3.079653 5.164349 4.363715 3.798728 3.795265 5.133667 3.829533 2.384603 3.817131 4.671448 5.267665 2.409722 3.813834 7.063596 6.700057 0.000000 2.825335 10.278965 3.547003 2.185617 4.155659 4.448595 5.540485 2.796350 3.504697 4.006575 2.875035 5.630613 3.680722 6.595937 6.492281 1.103954 6.617665 5.262614 7.950946 7.846736 8.565410 4.328868 3.857702 5.175172 3.769287 2.559582 3.095503 4.334565 5.102358 3.971235 3.771751 5.858347 6.082163 3.539354 4.695297 6.825411 6.145748 1.778909 0.000000 4.261105 8.739506 2.888373 2.210010 2.856250 3.262530 4.091962 2.823856 2.766338 3.565060 3.515266 4.301763 3.974190 5.024451 5.273213 1.102473 5.094465 3.682108 6.326971 6.503809 7.084805 3.863452 2.270798 4.210692 3.863180 3.116706 2.177278 3.771547 4.582946 3.307947 4.366658 4.533765 4.986794 4.012917 5.060337 5.744168 5.119480 1.781073 1.785686 0.000000 8.890994 5.213422 4.760620 6.106744 3.537259 3.957224 3.543660 6.347397 5.499935 5.304946 7.093591 2.234065 6.824811 2.121390 4.513829 6.583419 1.100453 4.414115 2.679668 4.830308 3.879503 4.854350 3.833921 3.971427 6.450994 7.388344 5.849202 6.024040 5.034748 5.292711 7.263178 2.493234 2.656532 7.477032 7.304984 4.499472 5.517395 6.753517 7.616585 6.077585 0.000000 7.081292 6.015801 4.179449 4.421637 2.902060 2.777338 2.211486 4.434697 3.230025 5.133320 5.919445 3.691477 6.207509 2.875017 3.525023 4.018918 3.491540 1.104857 3.734973 4.214365 4.616174 4.917376 2.214937 3.827061 5.221754 5.011637 2.672119 3.868827 5.754737 4.800316 6.496843 4.111144 4.672385 6.481396 7.179605 4.352758 3.727844 4.505248 4.715912 2.996650 4.371191 0.000000 7.329584 5.748765 4.947169 4.826211 3.843885 2.948016 2.219446 4.259479 2.812030 6.199206 6.370338 4.811668 7.043968 3.493421 2.738947 4.573942 4.504284 1.105270 4.114993 3.436180 4.400620 5.475489 3.516313 3.861675 5.001994 4.595497 2.182591 2.953307 6.887927 6.085148 6.793800 5.499000 5.581708 7.396271 8.004185 3.728413 2.461954 5.367220 4.967265 3.615475 5.455903 1.790815 0.000000 8.616098 4.495957 5.581365 5.898479 4.163897 3.558456 2.219644 5.575082 4.111260 6.673584 7.421039 4.597837 7.807872 2.695574 2.905714 5.673701 3.814051 1.103537 2.808155 2.943522 3.407088 6.104159 3.766180 4.365115 6.208818 6.119838 3.692756 4.330700 7.166550 6.433335 7.851647 5.169099 5.481801 8.178093 8.723918 3.929331 3.210794 6.252706 6.281783 4.662320 4.518636 1.776775 1.777351 0.000000 10.360234 3.006014 6.383070 7.456993 4.940371 4.712595 3.551134 7.322314 6.094534 7.228785 8.680683 4.112073 8.685300 2.174315 3.952469 7.798695 2.599743 4.183288 1.104045 3.495192 2.180727 6.487555 5.084954 4.792468 7.486275 8.237903 6.305549 6.307743 7.142083 7.174292 8.837501 4.594066 4.595309 9.314241 9.277925 4.172028 5.003244 8.164329 8.707691 7.064261 2.298225 4.560844 5.160039 3.785559 0.000000 10.034304 2.902338 6.378733 7.151474 4.843781 4.426585 2.958785 6.924611 5.521158 7.342818 8.551631 4.531064 8.710630 2.184117 3.408337 7.210820 3.183774 2.959340 1.108255 2.809379 2.151215 6.695453 4.702428 4.848182 7.308609 7.686025 5.452160 5.703439 7.516830 7.156705 8.847777 5.042550 5.277466 9.213036 9.471766 4.080828 4.238292 7.656525 8.003107 6.310581 3.374251 3.444983 3.858860 2.238450 1.777363 0.000000 9.885638 2.949800 6.852420 7.179479 5.504252 4.380245 2.914253 6.422825 4.884207 8.170813 8.650033 5.747564 9.254453 3.345763 2.200398 7.322547 4.704281 2.880934 2.804991 1.105894 2.162177 7.033771 5.521924 4.717158 6.760892 6.930200 4.818613 4.570111 8.545402 8.184166 8.815870 6.574638 6.316099 9.813380 10.056782 3.102447 2.515027 8.079202 7.839714 6.438541 5.281864 3.926735 3.041725 2.370069 3.815330 2.621859 0.000000 10.228661 2.994440 7.243695 7.603776 6.061249 4.734147 3.566272 6.629182 5.220220 8.663643 8.944865 6.200538 9.668698 3.965558 2.190668 8.066229 5.207101 4.154588 3.497170 1.104995 2.175443 7.150734 6.381747 4.665468 6.687966 7.149893 5.481854 4.637169 8.935928 8.890977 8.890253 7.174007 6.477616 10.376037 10.343856 2.493205 2.502593 8.906046 8.558014 7.344002 5.742402 5.228286 4.229715 3.952068 4.334272 3.806015 1.778608 0.000000 10.352575 2.420135 6.696859 7.546854 5.442331 4.558406 3.479735 6.936542 5.682435 7.891190 8.748016 4.954456 9.126416 2.878851 2.838862 8.183221 3.717154 4.544067 2.195172 2.190340 1.103030 6.496976 5.912531 4.256091 6.859406 7.758405 6.140465 5.467842 7.870887 8.132843 8.655668 5.829484 5.081894 9.915951 9.658319 2.649441 3.831416 8.814945 8.934380 7.543818 3.872908 5.343179 5.154372 4.352502 2.491745 3.079280 3.089242 2.496277 0.000000 C19H28Cl2 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 0 299.1092999999998 AuxInfo=1/0/N:18,16,17,12,10,13,20,9,15,8,19,14,21,5,3,6,11,7,4,2,1/CRV:3.3,12.3/rA:49ClClCCCCCCCCCCCC3CCC3CCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s5;s6;s4;s6s8;s3;s1s4;s5;s10s11;s7;s7;s4;s12s14;s7;s14;s15;s2s19s20;s3;s5;s6;s8;s8;s9;s9;s10;s10;s11;s12;s12;s13;s13;s15;s15;s16;s16;s16;s17;s18;s18;s18;s19;s19;s20;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7826246 0.1083193 0.1006700 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= 18145 NPrTT= 88094 LenC2= 15942 LenP2D= 50174. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 282 RedAO= T EigKep= 7.58D-04 NBF= 282 NBsUse= 282 1.00D-06 EigRej= -1.00D+00 NBFU= 282 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= 258 258 258 258 258 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 0 1 -1659.31496911754 -1659.41166405414 -0.096694936596 -1659.72971909364 -0.318055039498 -1659.73115086841 -0.001431774775 -1659.74645008271 -0.015299214298 -1659.74770951889 -0.001259436178 -1659.74779577886 -0.000086259970 -1659.74780441202 -0.000008633168 -1659.74795670836 -0.000152296338 -1659.74796267684 -0.000005968478 -1659.74796234708 0.000000329758 -1659.74796280792 -0.000000460838 -1659.74796281793 -0.000000010012 -1659.74796281892 -0.000000000990 -1659.74796281900 -0.000000000075 -1659.74796281899 0.000000000004 -1659.74796282 16 1.653035284997e+03 -8.009523690949e+03 2.642798742452e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 261076 IEndB= 261076 NGot= 402653184 MDV= 402488555 LenX= 402488555 LenY= 402408590 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= 49. Will process 50 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 402652408 using IRadAn= 2. Generate precomputed XC quadrature information. Solving linear equations simultaneously, MaxMat= 0. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 800000000 NMat= 150 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= 150 NMatS0= 150 NMatT0= 0 NMatD0= 150 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 150 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 147 vectors produced by pass 0 Test12= 1.71D-14 1.00D-09 XBig12= 2.69D+02 5.55D+00. AX will form 147 AO Fock derivatives at one time. 147 vectors produced by pass 1 Test12= 1.71D-14 1.00D-09 XBig12= 3.09D+01 1.38D+00. 147 vectors produced by pass 2 Test12= 1.71D-14 1.00D-09 XBig12= 1.19D-01 3.50D-02. 147 vectors produced by pass 3 Test12= 1.71D-14 1.00D-09 XBig12= 5.49D-05 4.35D-04. 67 vectors produced by pass 4 Test12= 1.71D-14 1.00D-09 XBig12= 4.03D-09 3.99D-06. 4 vectors produced by pass 5 Test12= 1.71D-14 1.00D-09 XBig12= 3.31D-13 4.38D-08. 2 vectors produced by pass 6 Test12= 1.71D-14 1.00D-09 XBig12= 1.04D-15 1.89D-09. InvSVY: IOpt=1 It= 1 EMax= 4.62D-14 Solved reduced A of dimension 661 with 150 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 213.68 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 285.428 -2.300 199.029 2.782 -3.018 156.590 400.198 -5.099 352.470 8.613 -13.285 293.609 (Enter /mnt/data/applications/G09/g09/l716.exe) PT9641.100S Sun Dec 3 06:08:21 2017 -100.67537 -100.67246 -9.95902 -9.95549 -9.92345 -9.91818 -9.90941 -9.90653 -9.90617 -9.90595 -9.90538 -9.90519 -9.90473 -9.90356 -9.90130 -9.90074 -9.89983 -9.89555 -9.89458 -9.88932 -9.88362 -9.15422 -9.15129 -6.97938 -6.97644 -6.96669 -6.96645 -6.96373 -6.96365 -0.80442 -0.79104 -0.76412 -0.73854 -0.72139 -0.71334 -0.69566 -0.67890 -0.65885 -0.64715 -0.61924 -0.61366 -0.61012 -0.57482 -0.55385 -0.54884 -0.51521 -0.51124 -0.50019 -0.48391 -0.45417 -0.44040 -0.43434 -0.42542 -0.42026 -0.40344 -0.40297 -0.39968 -0.39146 -0.38584 -0.37340 -0.37263 -0.36405 -0.35853 -0.35551 -0.34565 -0.34159 -0.33995 -0.33546 -0.32527 -0.32295 -0.32011 -0.31343 -0.30869 -0.30537 -0.30250 -0.29819 -0.29268 -0.28813 -0.28230 -0.27677 -0.27094 -0.25561 -0.24780 -0.24321 -0.24190 -0.24152 -0.23710 -0.21037 -0.03339 -0.01867 -0.00468 0.06253 0.06844 0.07502 0.08074 0.08288 0.08943 0.09205 0.09682 0.09924 0.10723 0.11219 0.11710 0.12173 0.12567 0.12701 0.13191 0.13299 0.13771 0.14028 0.14503 0.14782 0.15331 0.15597 0.16108 0.16663 0.16909 0.17456 0.17836 0.18061 0.18727 0.19296 0.19539 0.19881 0.20066 0.20492 0.21201 0.21956 0.22055 0.22162 0.23068 0.23401 0.24045 0.24539 0.24773 0.25154 0.25644 0.26279 0.27739 0.28325 0.29030 0.29240 0.29942 0.30077 0.30830 0.31507 0.32156 0.33028 0.33748 0.34511 0.34681 0.35454 0.36228 0.36526 0.37434 0.37677 0.38157 0.39379 0.40017 0.40878 0.41239 0.41774 0.42351 0.43412 0.43559 0.44095 0.44359 0.45052 0.45182 0.46332 0.47965 0.48963 0.49928 0.50554 0.51112 0.51437 0.52901 0.53070 0.54264 0.55359 0.56484 0.56705 0.57720 0.58182 0.58851 0.60875 0.61174 0.61826 0.63533 0.65249 0.67233 0.68081 0.70879 0.71728 0.72878 0.73935 0.75191 0.75757 0.76711 0.78165 0.82563 0.83460 0.85569 0.87344 0.88954 0.89446 0.90556 0.92260 0.94348 0.94895 0.95493 0.96430 0.98074 0.99107 0.99778 1.00304 1.01437 1.02336 1.03863 1.03983 1.06720 1.07578 1.08193 1.09090 1.09645 1.10720 1.11880 1.12919 1.13526 1.13868 1.15731 1.16425 1.17238 1.17804 1.18738 1.21244 1.22781 1.23468 1.25716 1.27835 1.29164 1.31103 1.32638 1.33706 1.36158 1.39763 1.42987 1.44223 1.46502 1.49141 1.52144 1.62040 1.64398 5.92112 5.92553 5.93183 5.94081 5.94929 5.95283 8.73963 8.78056 22.39917 22.49617 22.53370 22.58784 22.59708 22.60241 22.61788 22.62793 22.64075 22.65181 22.66577 22.68094 22.69573 22.70138 22.70854 22.73091 22.74889 22.77230 22.79198 217.62302 217.67133 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 Cl Cl 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 H H H -0.083826 -0.084726 -0.128460 0.487332 -0.187439 -0.088553 0.269096 -0.519886 -0.542010 -0.541031 -0.551636 -0.495603 -0.394305 0.472176 -0.516799 -0.807908 -0.475427 -0.825968 -0.587468 -0.387397 -0.383745 0.204085 0.249743 0.193977 0.194506 0.224697 0.229644 0.215322 0.213393 0.236601 0.283237 0.222953 0.214207 0.246984 0.219934 0.210570 0.221653 0.230709 0.241326 0.224265 0.213557 0.226719 0.224944 0.226343 0.240394 0.234750 0.225922 0.229636 0.273512 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 Cl Cl C C C C C C C C C C C C C C C C C C C -0.083826 -0.084726 0.075625 0.487332 0.062304 0.105424 0.269096 -0.100683 -0.097044 -0.091037 -0.268399 -0.058443 0.072613 0.472176 -0.084577 -0.111607 -0.261870 -0.147963 -0.112325 0.068161 -0.110233 0.00000 -3.28149305e-01 4.76373760e-01 -2.36259460e-01 2.85428457e+02 -2.29967959e+00 1.99028671e+02 2.78191446e+00 -3.01773879e+00 1.56589786e+02 -8.5992 -0.0007 -0.0004 0.0014 5.8386 13.2089 33.9243 53.8036 73.3647 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 33.4153 53.7857 73.3500 92.6330 102.0859 123.2987 158.4524 173.4408 183.8433 195.1731 218.8607 226.2697 231.0640 244.8794 262.1132 275.2416 291.3418 294.3457 309.7555 324.2947 348.1553 365.8327 391.6165 417.1605 431.3667 439.4729 451.7865 457.7020 501.5153 532.7138 558.5561 582.3229 591.0608 608.6747 672.5642 687.8668 700.2509 736.4234 774.6703 798.9868 816.5077 826.2298 836.4177 850.6139 864.7497 884.8211 908.8018 913.4298 937.4188 941.7344 956.2195 961.7129 986.7544 988.7393 1008.3271 1012.6096 1020.4174 1024.0688 1038.2532 1047.1850 1072.7340 1073.5002 1089.5103 1113.1144 1120.1461 1122.7725 1132.6590 1138.5171 1142.8082 1154.1014 1167.4541 1182.9303 1187.9515 1195.8769 1203.8271 1212.4419 1219.1626 1237.1351 1244.1526 1248.2460 1260.8350 1264.3234 1273.6200 1283.9438 1287.9005 1295.0233 1296.8226 1302.8746 1321.9978 1324.3283 1328.6700 1333.7518 1340.4054 1342.8641 1346.0280 1353.5272 1360.8811 1366.4778 1386.3931 1397.2685 1455.6135 1459.3390 1460.8233 1462.8110 1467.4092 1470.1994 1476.2619 1479.0340 1486.2042 1488.7346 1490.6862 1496.5047 1681.4503 2906.8791 2920.4930 2930.6767 2958.9207 2966.5021 2973.7291 2980.9987 2983.8971 2992.0252 2997.3036 2999.6034 3002.9958 3005.0349 3025.7566 3027.2833 3038.1528 3046.7049 3049.2304 3049.8303 3056.8326 3060.8682 3072.8118 3075.8126 3081.7205 3087.1234 3087.1839 3091.7260 3099.9697 7.1046 3.4745 5.9366 6.3146 3.4217 1.7678 5.7467 1.6820 3.5566 1.5756 1.9517 2.4447 2.9065 2.3667 2.9682 2.2169 2.5627 3.1484 2.4430 3.9487 2.5138 3.1473 2.9469 3.1654 3.5646 2.5272 2.6267 3.6384 2.5635 2.8908 3.3525 3.3719 2.5992 3.8750 2.9830 3.6687 3.2694 2.4381 3.1995 1.8515 1.8601 1.7542 1.7318 1.9308 2.2834 1.6475 1.7527 1.9634 1.8715 2.4275 1.7916 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