Gaussian 09 GINC-G2NODEN15 G2RSANTIAGO prusses ES64L-G09RevD.01 17-Jun-2023 Gaussian 09 24-Apr-2013 ES64L-G09RevD.01 66 66 (5D, 7F) 6-311G(d) UPBE1PBE 6-311G(d) FOpt #p opt upbe1pbe/6-311G(d) nosymm gfinput IOP(6/7=3) gfoldprint pop=no scf=tight 792.0653999999994 0 3 AuxInfo=1/0/N:51,52,53,54,35,36,37,38,39,40,41,42,2,3,10,11,17,18,1,12,4,5,8,9,6,7,27,28,29,30,31,32,33,34,21,22,23,24,25,26,59,60,61,62,63,64,65,66,19,20/E:(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)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.2,18.2,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.3,39.3,40.3,49.1,50.1/rA:66C3C3C3C3C3C3C3C3C3C3C3C3HHHHC2C2N1N1C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHC3C3C3C3HHHHClClClClClClClCl/rB:s1;s1;s2;s3s4;s4;s5;s6;s7s8;s8;s9;s10s11;s2;s3;s10;s11;s6;s7;s17;s18;s1;s12;s21;s21;s22;s22;s23;s23;s24;s24;s25;s25;s26;s26;s27;s28;s29;s30;s31;s32;s33;s34;s35;s36;s37;s38;s39;s40;s41;s42;s35s36;s37s38;s39s40;s41s42;s51;s52;s53;s54;s27;s28;s29;s30;s31;s32;s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /aplic/Gaussian/g09d01_prebuilt/g09/l1.exe "/scratch/g2rsantiago/Gau-4354.inp" -scrdir="/scratch/g2rsantiago/" chk=/home/g2rsantiago/PENTALENE/molecule_calcs/01_C/PROTECTED_COUPLERS/pentalen int=/scratch/g2rsantiago/c01_T_go.int scr=/scratch/g2rsantiago/c01_T_go.scr rwf=/scratch/g2rsantiago/c01_T_go.rwf d2e=/scratch/g2rsantiago/c01_T_go.d2e nproc=12 chk=./trip_go.chk #p opt upbe1pbe/6-311G(d) nosymm gfinput IOP(6/7=3) gfoldprint pop=no 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=4,6=6,7=1,11=2,16=1,24=11,25=1,30=1,71=1,74=-13,116=2/1,2,3 4//1 5/5=2,32=2,38=5/2 6/7=3,8=2,9=2,10=2,22=-1,28=1,31=1/1 7/30=1/1,2,3,16 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=4,6=6,7=1,11=2,16=1,25=1,30=1,71=1,74=-13,116=2/1,2,3 4/5=5,16=3,69=1/1 5/5=2,32=2,38=5/2 7/30=1/1,2,3,16 1/14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,8=2,9=2,10=2,19=2,22=-1,28=1,31=1/1 99/9=1/99 prusses 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 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 12 12 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 12 12 12 12 1 1 1 1 35 35 35 35 35 35 35 35 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 12.0000000 12.0000000 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 34.9688527 34.9688527 34.9688527 34.9688527 34.9688527 34.9688527 34.9688527 34.9688527 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 0 0 0 1 1 1 1 3 3 3 3 3 3 3 3 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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 /aplic/Gaussian/g09d01_prebuilt/g09/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 1 1 1 2 2 3 3 4 4 5 6 6 7 7 8 8 9 10 10 11 11 12 17 18 21 21 22 22 23 23 24 24 25 25 26 26 27 27 28 28 29 29 30 30 31 31 32 32 33 33 34 34 35 35 36 36 37 37 38 38 39 39 40 40 41 41 42 42 51 52 53 54 2 3 21 4 13 5 14 5 6 7 8 17 9 18 9 10 11 12 15 12 16 22 19 20 23 24 25 26 27 28 29 30 31 32 33 34 35 59 36 60 37 61 38 62 39 63 40 64 41 65 42 66 43 51 44 51 45 52 46 52 47 53 48 53 49 54 50 54 55 56 57 58 1.45 1.45 1.45 1.45 1.2 1.45 1.2 1.45 1.45 1.45 1.45 1.45 1.45 1.45 1.45 1.45 1.45 1.45 1.2 1.45 1.2 1.45 1.4 1.4 1.45 1.45 1.45 1.45 1.45 1.45 1.45 1.45 1.45 1.45 1.45 1.45 1.45 1.75 1.45 1.75 1.45 1.75 1.45 1.75 1.45 1.75 1.45 1.75 1.45 1.75 1.45 1.75 1.2 1.45 1.2 1.45 1.2 1.45 1.2 1.45 1.2 1.45 1.2 1.45 1.2 1.45 1.2 1.45 1.2 1.2 1.2 1.2 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A109 A110 A111 A112 A113 A114 2 2 3 1 1 4 1 1 5 2 2 5 3 3 4 4 4 8 5 5 9 6 6 9 7 7 8 8 8 12 9 9 12 10 10 11 1 1 23 12 12 25 21 21 27 21 21 29 22 22 31 22 22 33 23 23 35 23 23 36 24 24 37 24 24 38 25 25 39 25 25 40 26 26 41 26 26 42 27 27 43 28 28 44 29 29 45 30 30 46 31 31 47 32 32 48 33 33 49 34 34 50 35 35 36 37 37 38 39 39 40 41 41 42 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 35 35 35 36 36 36 37 37 37 38 38 38 39 39 39 40 40 40 41 41 41 42 42 42 51 51 51 52 52 52 53 53 53 54 54 54 3 21 21 4 13 13 5 14 14 5 6 6 4 7 7 8 17 17 9 18 18 9 10 10 8 11 11 12 15 15 12 16 16 11 22 22 23 24 24 25 26 26 27 28 28 29 30 30 31 32 32 33 34 34 35 59 59 36 60 60 37 61 61 38 62 62 39 63 63 40 64 64 41 65 65 42 66 66 43 51 51 44 51 51 45 52 52 46 52 52 47 53 53 48 53 53 49 54 54 50 54 54 36 55 55 38 56 56 40 57 57 42 58 58 108.0 126.0 126.0 108.0 126.0 126.0 108.0 126.0 126.0 108.0 132.0 120.0 108.0 132.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 132.0 108.0 120.0 132.0 108.0 108.0 126.0 126.0 108.0 126.0 126.0 108.0 126.0 126.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 120.0 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A115 A116 A117 A118 6 7 6 7 17 18 17 18 19 20 19 20 13 14 13 14 -1 -1 -2 -2 180.0 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 180.0 180.0 180.0 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 3 3 21 21 2 2 21 21 2 2 3 3 1 1 13 13 1 1 14 14 2 2 6 6 2 2 5 5 3 3 4 4 4 4 17 17 5 5 18 18 6 6 10 10 6 6 9 9 7 7 8 8 8 8 15 15 9 9 16 16 10 10 11 11 1 1 24 24 1 1 23 23 12 12 26 26 12 12 25 25 21 21 28 28 21 21 27 27 21 21 30 30 21 21 29 29 22 22 32 32 22 22 31 31 22 22 34 34 22 22 33 33 23 23 59 59 23 23 60 60 24 24 61 61 24 24 62 62 25 25 63 63 25 25 64 64 26 26 65 65 26 26 66 66 27 27 43 43 28 28 44 44 29 29 45 45 30 30 46 46 31 31 47 47 32 32 48 48 33 33 49 49 34 34 50 50 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 26 26 26 26 26 26 26 26 27 27 27 27 28 28 28 28 29 29 29 29 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 34 34 34 34 35 35 35 35 36 36 36 36 37 37 37 37 38 38 38 38 39 39 39 39 40 40 40 40 41 41 41 41 42 42 42 42 2 2 2 2 3 3 3 3 21 21 21 21 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 29 29 29 29 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 34 34 34 34 35 35 35 35 36 36 36 36 37 37 37 37 38 38 38 38 39 39 39 39 40 40 40 40 41 41 41 41 42 42 42 42 51 51 51 51 51 51 51 51 52 52 52 52 52 52 52 52 53 53 53 53 53 53 53 53 54 54 54 54 54 54 54 54 4 13 4 13 5 14 5 14 23 24 23 24 5 6 5 6 4 7 4 7 3 7 3 7 8 17 8 17 9 18 9 18 9 10 9 10 8 11 8 11 7 11 7 11 12 15 12 15 12 16 12 16 11 22 11 22 10 22 10 22 25 26 25 26 27 28 27 28 29 30 29 30 31 32 31 32 33 34 33 34 35 59 35 59 36 60 36 60 37 61 37 61 38 62 38 62 39 63 39 63 40 64 40 64 41 65 41 65 42 66 42 66 43 51 43 51 44 51 44 51 45 52 45 52 46 52 46 52 47 53 47 53 48 53 48 53 49 54 49 54 50 54 50 54 36 55 36 55 35 55 35 55 38 56 38 56 37 56 37 56 40 57 40 57 39 57 39 57 42 58 42 58 41 58 41 58 0.0 180.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 180.0 180.0 0.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 180.0 0.0 180.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 180.0 180.0 0.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 180.0 0.0 180.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 180.0 180.0 0.0 55.0 -125.0 -125.0 55.0 55.0 -125.0 -125.0 55.0 -55.0 125.0 125.0 -55.0 -55.0 125.0 125.0 -55.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 -180.0 180.0 0.0 0.0 -180.0 180.0 0.0 0.0 -180.0 180.0 0.0 0.0 -180.0 -180.0 0.0 0.0 180.0 180.0 0.0 0.0 180.0 -180.0 0.0 0.0 180.0 180.0 0.0 0.0 180.0 0.0 -180.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 -180.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 -180.0 180.0 0.0 0.0 180.0 180.0 0.0 0.0 -180.0 180.0 0.0 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 376 396 0.10000e-02 0.10000e-05 F 66 1.00e+00 60 T IExCor= 1009 DFT=T Ex+Corr=PBE1PBE ExCW=0 ScaHFX= 0.250000 ScaDFX= 0.750000 0.750000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 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. PrsmSu: requested number of processors reduced to: 5 ShMem 1 Linda. NBasis= 1012 RedAO= T EigKep= 5.90D-05 NBF= 1012 NBsUse= 1012 1.00D-06 EigRej= -1.00D+00 NBFU= 1012 Berny optimization. local minimum Step number 12 out of a maximum of 376 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.01317 0.01413 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01427 0.01428 0.01428 0.01428 0.01428 0.01428 0.01428 0.01428 0.01428 0.01428 0.01428 0.01428 0.01428 0.01428 0.01430 0.01431 0.01431 0.01431 0.01433 0.01433 0.01433 0.01435 0.01435 0.01435 0.01436 0.01456 0.01616 0.01692 0.01692 0.01692 0.01771 0.03054 0.07669 0.09186 0.14374 0.15929 0.15981 0.15983 0.15983 0.15999 0.15999 0.15999 0.15999 0.15999 0.15999 0.15999 0.16000 0.16000 0.16000 0.16001 0.21348 0.22082 0.22082 0.22082 0.23074 0.23430 0.23451 0.23474 0.23474 0.23474 0.23488 0.24099 0.24153 0.24317 0.24664 0.24665 0.24665 0.24665 0.24665 0.24665 0.24665 0.24665 0.24665 0.24665 0.24665 0.24665 0.24665 0.24666 0.24744 0.24900 0.24900 0.24900 0.24932 0.24969 0.24969 0.24969 0.24978 0.24978 0.24978 0.24996 0.24997 0.24998 0.24999 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25000 0.25109 0.29669 0.30071 0.30485 0.30487 0.30487 0.30487 0.30487 0.30487 0.30487 0.32990 0.34549 0.34729 0.34785 0.34958 0.35569 0.35569 0.35569 0.35711 0.35711 0.35711 0.35881 0.36182 0.36350 0.36986 0.37086 0.37340 0.38043 0.38242 0.38244 0.38245 0.38245 0.38245 0.38245 0.38245 0.38245 0.38245 0.38245 0.38245 0.38245 0.38245 0.38245 0.38245 0.38245 0.38245 0.38245 0.38245 0.38245 0.38245 0.38245 0.38245 0.38247 0.38261 0.38274 0.38686 0.42416 0.45621 0.48605 0.91871 -2.97812699e-07 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 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 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 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 2.73038 2.73038 2.60596 2.60432 2.04319 2.60432 2.04319 2.80227 2.66296 2.66296 2.66296 2.67910 2.66296 2.67910 2.80227 2.60432 2.60432 2.73038 2.04320 2.73038 2.04320 2.60596 2.18526 2.18526 2.79971 2.79971 2.79971 2.79971 2.66508 2.65652 2.66508 2.65652 2.66508 2.65652 2.66508 2.65652 2.62123 3.27849 2.62052 3.27608 2.62123 3.27849 2.62052 3.27608 2.62123 3.27849 2.62052 3.27608 2.62123 3.27849 2.62052 3.27608 2.04709 2.61813 2.04712 2.61642 2.04709 2.61813 2.04712 2.61642 2.04709 2.61813 2.04712 2.61642 2.04709 2.61813 2.04712 2.61642 2.04987 2.04987 2.04987 2.04987 1.87883 2.20218 2.20218 1.88876 2.19126 2.20254 1.88876 2.19126 2.20254 1.88413 2.29094 2.10810 1.88413 2.29094 2.10810 2.06695 2.10810 2.10808 2.06695 2.10810 2.10808 2.10810 2.29094 1.88413 2.10810 2.29094 1.88413 1.88876 2.20253 2.19126 1.88876 2.20253 2.19126 1.87883 2.20218 2.20218 2.09708 2.09708 2.08902 2.09708 2.09708 2.08902 2.13332 2.12949 2.02037 2.13332 2.12949 2.02037 2.13332 2.12949 2.02037 2.13332 2.12949 2.02037 2.13232 2.11891 2.03091 2.14059 2.10328 2.03853 2.13232 2.11891 2.03091 2.14059 2.10328 2.03853 2.13232 2.11891 2.03091 2.14059 2.10328 2.03853 2.13232 2.11891 2.03091 2.14059 2.10328 2.03853 2.07956 2.09202 2.11155 2.08174 2.08649 2.11488 2.07956 2.09202 2.11155 2.08174 2.08649 2.11488 2.07956 2.09202 2.11155 2.08174 2.08649 2.11488 2.07956 2.09202 2.11155 2.08174 2.08649 2.11488 2.09458 2.09365 2.09496 2.09458 2.09365 2.09496 2.09458 2.09365 2.09496 2.09458 2.09365 2.09496 3.14157 3.14157 3.14107 3.14107 -0.00580 -3.11109 3.13580 0.03050 -0.00580 -3.11109 3.13580 0.03050 0.21230 -2.92930 -2.92930 0.21230 0.01435 -3.13214 3.11935 -0.02714 0.01435 -3.13214 3.11935 -0.02714 -0.01821 3.12768 3.12768 -0.00963 -3.12676 0.00372 0.00940 3.13988 -3.12676 0.00372 0.00940 3.13988 -0.00940 3.12676 -3.13988 -0.00372 -0.00940 3.12676 -3.13988 -0.00372 0.00963 -3.12768 -3.12768 0.01821 3.13214 0.02714 -0.01435 -3.11935 3.13214 0.02714 -0.01436 -3.11935 0.00580 -3.13580 3.11109 -0.03050 0.00580 -3.13580 3.11109 -0.03050 -0.21229 2.92930 2.92930 -0.21229 0.98731 -2.15824 -2.15428 0.98335 0.98731 -2.15824 -2.15428 0.98335 -0.98731 2.15824 2.15429 -0.98335 -0.98731 2.15824 2.15428 -0.98335 -3.14054 0.05217 0.00478 -3.08569 3.14009 0.04248 -0.00522 -3.10283 -3.14054 0.05217 0.00478 -3.08569 3.14009 0.04248 -0.00522 -3.10283 3.14054 -0.05217 -0.00478 3.08570 -3.14009 -0.04248 0.00522 3.10283 3.14054 -0.05217 -0.00478 3.08570 -3.14009 -0.04248 0.00522 3.10283 -3.13171 -0.00174 -0.03881 3.09116 -3.12704 0.00258 -0.02789 3.10173 -3.13171 -0.00174 -0.03881 3.09116 -3.12704 0.00258 -0.02789 3.10173 3.13171 0.00174 0.03881 -3.09116 3.12704 -0.00258 0.02789 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0.00011 0.00011 0.00011 0.00011 -0.00004 0.00002 0.00002 0.00002 0.00001 -0.00001 0.00002 0.00001 -0.00001 0.00001 0.00002 -0.00003 0.00001 0.00002 -0.00003 0.00005 -0.00003 -0.00002 0.00005 -0.00003 -0.00002 -0.00003 0.00002 0.00001 -0.00003 0.00002 0.00001 0.00002 -0.00001 0.00001 0.00002 -0.00001 0.00001 -0.00004 0.00002 0.00002 0.00009 0.00009 -0.00017 0.00009 0.00009 -0.00017 0.00005 -0.00004 -0.00001 0.00005 -0.00004 -0.00001 0.00005 -0.00004 -0.00001 0.00005 -0.00004 -0.00001 0.00006 -0.00008 0.00004 0.00000 0.00006 -0.00006 0.00006 -0.00008 0.00004 0.00000 0.00006 -0.00006 0.00006 -0.00008 0.00004 0.00000 0.00006 -0.00006 0.00006 -0.00008 0.00004 0.00000 0.00006 -0.00006 -0.00001 -0.00001 0.00001 -0.00002 0.00003 -0.00002 -0.00001 -0.00001 0.00001 -0.00002 0.00003 -0.00002 -0.00001 -0.00001 0.00001 -0.00002 0.00003 -0.00002 -0.00001 -0.00001 0.00001 -0.00002 0.00003 -0.00002 -0.00007 0.00002 0.00005 -0.00007 0.00002 0.00005 -0.00007 0.00002 0.00005 -0.00007 0.00002 0.00005 0.00009 0.00009 -0.00012 -0.00012 0.00026 -0.00027 0.00026 -0.00027 0.00026 -0.00027 0.00026 -0.00027 0.00002 0.00002 0.00002 0.00002 -0.00064 -0.00015 -0.00011 0.00038 -0.00064 -0.00015 -0.00011 0.00038 0.00081 0.00038 0.00038 -0.00005 -0.00050 -0.00003 0.00005 0.00051 -0.00050 -0.00003 0.00005 0.00051 -0.00005 0.00050 -0.00051 0.00003 -0.00005 0.00050 -0.00051 0.00003 0.00005 -0.00038 -0.00038 -0.00081 0.00015 -0.00038 0.00064 0.00011 0.00015 -0.00038 0.00064 0.00011 -0.00026 -0.00026 0.00027 0.00027 -0.00026 -0.00026 0.00027 0.00027 -0.00003 -0.00003 -0.00003 -0.00003 0.00019 0.00007 0.00019 0.00007 0.00019 0.00007 0.00020 0.00007 -0.00021 -0.00008 -0.00021 -0.00008 -0.00021 -0.00008 -0.00021 -0.00008 -0.00015 -0.00035 -0.00003 -0.00023 0.00005 0.00012 -0.00006 0.00000 -0.00015 -0.00035 -0.00003 -0.00023 0.00005 0.00012 -0.00006 0.00000 0.00015 0.00034 0.00003 0.00022 -0.00005 -0.00012 0.00007 0.00000 0.00015 0.00034 0.00003 0.00022 -0.00005 -0.00012 0.00007 0.00000 0.00006 0.00003 0.00024 0.00022 0.00025 0.00016 0.00018 0.00010 0.00006 0.00003 0.00024 0.00022 0.00025 0.00016 0.00018 0.00010 -0.00006 -0.00003 -0.00023 -0.00021 -0.00025 -0.00017 -0.00018 -0.00010 -0.00006 -0.00003 -0.00024 -0.00021 -0.00025 -0.00017 -0.00018 -0.00010 0.00007 -0.00010 0.00004 -0.00012 -0.00016 0.00000 -0.00025 -0.00008 0.00007 -0.00010 0.00004 -0.00012 -0.00016 0.00000 -0.00025 -0.00008 -0.00007 0.00010 -0.00004 0.00012 0.00016 0.00000 0.00025 0.00008 -0.00007 0.00010 -0.00004 0.00012 0.00016 0.00000 0.00025 0.00008 0.00007 0.00007 -0.00005 0.00004 0.00010 0.00004 0.00010 0.00002 0.00007 0.00007 0.00007 -0.00003 0.00007 -0.00003 0.00002 0.00004 0.00004 0.00007 0.00010 0.00007 0.00010 -0.00005 -0.00029 -0.00029 0.00009 0.00009 0.00009 0.00009 0.00002 -0.00008 0.00002 -0.00008 0.00002 -0.00008 0.00002 -0.00008 0.00005 0.00009 0.00005 0.00000 0.00005 0.00009 0.00005 0.00000 0.00005 0.00009 0.00005 0.00000 0.00005 0.00009 0.00005 0.00000 0.00012 0.00006 0.00012 0.00010 0.00012 0.00006 0.00012 0.00010 0.00012 0.00006 0.00012 0.00010 0.00012 0.00006 0.00012 0.00010 0.00010 0.00010 0.00010 0.00010 -0.00005 0.00002 0.00002 0.00003 0.00005 -0.00007 0.00003 0.00005 -0.00007 0.00000 0.00002 -0.00002 0.00000 0.00002 -0.00002 0.00004 -0.00002 -0.00001 0.00004 -0.00002 -0.00001 -0.00002 0.00002 0.00000 -0.00002 0.00002 0.00000 0.00003 -0.00007 0.00005 0.00003 -0.00007 0.00005 -0.00005 0.00002 0.00002 0.00008 0.00008 -0.00017 0.00008 0.00008 -0.00017 0.00006 -0.00010 0.00004 0.00006 -0.00010 0.00004 0.00006 -0.00010 0.00004 0.00006 -0.00010 0.00004 0.00000 0.00004 -0.00003 -0.00002 0.00000 0.00002 0.00000 0.00004 -0.00003 -0.00002 0.00000 0.00002 0.00000 0.00004 -0.00003 -0.00002 0.00000 0.00002 0.00000 0.00004 -0.00003 -0.00002 0.00000 0.00002 -0.00003 0.00000 0.00002 -0.00004 0.00003 0.00000 -0.00003 0.00000 0.00002 -0.00004 0.00003 0.00000 -0.00003 0.00000 0.00002 -0.00004 0.00003 0.00000 -0.00003 0.00000 0.00002 -0.00004 0.00003 0.00000 -0.00006 0.00002 0.00004 -0.00006 0.00002 0.00004 -0.00006 0.00002 0.00004 -0.00006 0.00002 0.00004 0.00010 0.00010 -0.00024 -0.00024 0.00029 -0.00002 0.00029 -0.00002 0.00029 -0.00002 0.00029 -0.00002 0.00019 0.00019 0.00019 0.00019 -0.00072 -0.00010 -0.00041 0.00021 -0.00072 -0.00010 -0.00041 0.00021 0.00092 0.00037 0.00037 -0.00017 -0.00052 0.00000 0.00016 0.00068 -0.00052 0.00000 0.00016 0.00068 -0.00016 0.00052 -0.00068 0.00000 -0.00016 0.00052 -0.00068 0.00000 0.00017 -0.00037 -0.00037 -0.00092 0.00010 -0.00021 0.00072 0.00041 0.00010 -0.00021 0.00072 0.00041 -0.00029 -0.00029 0.00002 0.00002 -0.00029 -0.00029 0.00002 0.00002 -0.00020 -0.00020 -0.00020 -0.00020 0.00013 0.00004 0.00013 0.00004 0.00013 0.00004 0.00013 0.00004 -0.00014 -0.00006 -0.00015 -0.00006 -0.00014 -0.00006 -0.00014 -0.00005 0.00000 -0.00021 0.00008 -0.00013 -0.00003 -0.00005 -0.00011 -0.00013 0.00000 -0.00021 0.00008 -0.00013 -0.00003 -0.00005 -0.00011 -0.00012 0.00001 0.00020 -0.00008 0.00012 0.00003 0.00004 0.00012 0.00013 0.00001 0.00020 -0.00008 0.00012 0.00003 0.00004 0.00012 0.00013 0.00003 -0.00006 0.00023 0.00014 0.00028 0.00014 0.00029 0.00015 0.00003 -0.00006 0.00023 0.00014 0.00028 0.00014 0.00029 0.00015 -0.00003 0.00006 -0.00022 -0.00013 -0.00028 -0.00014 -0.00029 -0.00015 -0.00003 0.00006 -0.00022 -0.00013 -0.00028 -0.00014 -0.00029 -0.00015 0.00008 -0.00011 -0.00001 -0.00020 -0.00012 0.00007 -0.00026 -0.00007 0.00008 -0.00011 -0.00001 -0.00020 -0.00012 0.00007 -0.00026 -0.00007 -0.00008 0.00011 0.00002 0.00020 0.00012 -0.00007 0.00026 0.00007 -0.00008 0.00011 0.00002 0.00020 0.00012 -0.00007 0.00026 0.00007 2.73044 2.73044 2.60591 2.60436 2.04330 2.60436 2.04330 2.80229 2.66303 2.66303 2.66303 2.67907 2.66303 2.67907 2.80229 2.60436 2.60436 2.73044 2.04330 2.73044 2.04330 2.60591 2.18496 2.18496 2.79980 2.79980 2.79980 2.79980 2.66510 2.65643 2.66510 2.65643 2.66510 2.65643 2.66510 2.65643 2.62128 3.27858 2.62056 3.27608 2.62128 3.27858 2.62056 3.27608 2.62128 3.27858 2.62056 3.27608 2.62128 3.27858 2.62056 3.27608 2.04721 2.61819 2.04724 2.61652 2.04721 2.61819 2.04724 2.61652 2.04721 2.61819 2.04724 2.61652 2.04721 2.61819 2.04724 2.61652 2.04997 2.04997 2.04997 2.04997 1.87878 2.20220 2.20220 1.88878 2.19131 2.20247 1.88878 2.19131 2.20247 1.88414 2.29096 2.10808 1.88414 2.29096 2.10808 2.06699 2.10807 2.10807 2.06699 2.10807 2.10807 2.10808 2.29096 1.88414 2.10808 2.29096 1.88414 1.88878 2.20247 2.19131 1.88878 2.20247 2.19131 1.87878 2.20220 2.20220 2.09717 2.09717 2.08885 2.09717 2.09717 2.08885 2.13338 2.12939 2.02041 2.13338 2.12939 2.02041 2.13339 2.12938 2.02041 2.13339 2.12938 2.02041 2.13232 2.11894 2.03088 2.14057 2.10328 2.03856 2.13232 2.11894 2.03088 2.14057 2.10328 2.03856 2.13232 2.11894 2.03088 2.14057 2.10328 2.03856 2.13232 2.11894 2.03088 2.14057 2.10328 2.03856 2.07953 2.09202 2.11157 2.08171 2.08653 2.11489 2.07953 2.09202 2.11157 2.08171 2.08653 2.11489 2.07953 2.09202 2.11157 2.08171 2.08653 2.11489 2.07953 2.09202 2.11157 2.08171 2.08653 2.11489 2.09452 2.09367 2.09500 2.09452 2.09367 2.09500 2.09452 2.09367 2.09500 2.09452 2.09367 2.09500 3.14167 3.14167 3.14084 3.14084 -0.00551 -3.11111 3.13609 0.03048 -0.00551 -3.11111 3.13609 0.03048 0.21248 -2.92911 -2.92911 0.21249 0.01363 -3.13225 3.11895 -0.02693 0.01363 -3.13225 3.11895 -0.02693 -0.01729 3.12805 3.12805 -0.00979 -3.12728 0.00372 0.00957 3.14057 -3.12728 0.00372 0.00957 3.14057 -0.00957 3.12728 -3.14057 -0.00372 -0.00957 3.12728 -3.14057 -0.00372 0.00979 -3.12805 -3.12805 0.01729 3.13225 0.02693 -0.01363 -3.11895 3.13225 0.02693 -0.01363 -3.11895 0.00551 -3.13609 3.11111 -0.03048 0.00551 -3.13609 3.11111 -0.03048 -0.21249 2.92910 2.92910 -0.21249 0.98744 -2.15820 -2.15415 0.98339 0.98744 -2.15820 -2.15415 0.98340 -0.98745 2.15819 2.15414 -0.98341 -0.98745 2.15819 2.15414 -0.98340 -3.14054 0.05196 0.00486 -3.08583 3.14006 0.04243 -0.00533 -3.10296 -3.14054 0.05196 0.00486 -3.08583 3.14006 0.04243 -0.00533 -3.10296 3.14054 -0.05197 -0.00486 3.08582 -3.14006 -0.04243 0.00534 3.10296 3.14054 -0.05197 -0.00486 3.08582 -3.14006 -0.04243 0.00534 3.10296 -3.13168 -0.00180 -0.03858 3.09130 -3.12676 0.00272 -0.02760 3.10188 -3.13168 -0.00180 -0.03858 3.09130 -3.12676 0.00272 -0.02760 3.10188 3.13168 0.00180 0.03859 -3.09129 3.12676 -0.00272 0.02760 -3.10188 3.13168 0.00180 0.03859 -3.09129 3.12676 -0.00272 0.02760 -3.10188 -0.00111 3.14065 3.12855 -0.01287 0.00068 -3.14109 3.12992 -0.01184 -0.00111 3.14065 3.12855 -0.01287 0.00068 -3.14109 3.12992 -0.01184 0.00111 -3.14065 -3.12855 0.01287 -0.00068 3.14109 -3.12992 0.01185 0.00111 -3.14065 -3.12855 0.01287 -0.00068 3.14109 -3.12992 0.01185 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000237 0.000023 0.001598 0.000371 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.219037e-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 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 1 1 1 2 2 3 3 4 4 5 6 6 7 7 8 8 9 10 10 11 11 12 17 18 21 21 22 22 23 23 24 24 25 25 26 26 27 27 28 28 29 29 30 30 31 31 32 32 33 33 34 34 35 35 36 36 37 37 38 38 39 39 40 40 41 41 42 42 51 52 53 54 2 3 21 4 13 5 14 5 6 7 8 17 9 18 9 10 11 12 15 12 16 22 19 20 23 24 25 26 27 28 29 30 31 32 33 34 35 59 36 60 37 61 38 62 39 63 40 64 41 65 42 66 43 51 44 51 45 52 46 52 47 53 48 53 49 54 50 54 55 56 57 58 1.4449 1.4449 1.379 1.3781 1.0812 1.3781 1.0812 1.4829 1.4092 1.4092 1.4092 1.4177 1.4092 1.4177 1.4829 1.3781 1.3781 1.4449 1.0812 1.4449 1.0812 1.379 1.1564 1.1564 1.4815 1.4815 1.4815 1.4815 1.4103 1.4058 1.4103 1.4058 1.4103 1.4058 1.4103 1.4058 1.3871 1.7349 1.3867 1.7336 1.3871 1.7349 1.3867 1.7336 1.3871 1.7349 1.3867 1.7336 1.3871 1.7349 1.3867 1.7336 1.0833 1.3855 1.0833 1.3846 1.0833 1.3855 1.0833 1.3846 1.0833 1.3855 1.0833 1.3846 1.0833 1.3855 1.0833 1.3846 1.0847 1.0847 1.0847 1.0847 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0002|-DE/DX = -0.0002|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A109 A110 A111 A112 A113 A114 2 2 3 1 1 4 1 1 5 2 2 5 3 3 4 4 4 8 5 5 9 6 6 9 7 7 8 8 8 12 9 9 12 10 10 11 1 1 23 12 12 25 21 21 27 21 21 29 22 22 31 22 22 33 23 23 35 23 23 36 24 24 37 24 24 38 25 25 39 25 25 40 26 26 41 26 26 42 27 27 43 28 28 44 29 29 45 30 30 46 31 31 47 32 32 48 33 33 49 34 34 50 35 35 36 37 37 38 39 39 40 41 41 42 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 35 35 35 36 36 36 37 37 37 38 38 38 39 39 39 40 40 40 41 41 41 42 42 42 51 51 51 52 52 52 53 53 53 54 54 54 3 21 21 4 13 13 5 14 14 5 6 6 4 7 7 8 17 17 9 18 18 9 10 10 8 11 11 12 15 15 12 16 16 11 22 22 23 24 24 25 26 26 27 28 28 29 30 30 31 32 32 33 34 34 35 59 59 36 60 60 37 61 61 38 62 62 39 63 63 40 64 64 41 65 65 42 66 66 43 51 51 44 51 51 45 52 52 46 52 52 47 53 53 48 53 53 49 54 54 50 54 54 36 55 55 38 56 56 40 57 57 42 58 58 107.6488 126.1756 126.1756 108.2178 125.5501 126.196 108.2178 125.5501 126.196 107.9529 131.2615 120.7851 107.9529 131.2615 120.7851 118.4275 120.7852 120.7842 118.4275 120.7852 120.7842 120.7851 131.2614 107.9529 120.7851 131.2614 107.9529 108.2178 126.1959 125.5501 108.2178 126.1959 125.5501 107.6488 126.1756 126.1756 120.154 120.154 119.6921 120.154 120.154 119.6921 122.2303 122.0107 115.7586 122.2303 122.0107 115.7586 122.2303 122.0107 115.7586 122.2303 122.0107 115.7586 122.1728 121.4044 116.3625 122.6466 120.5091 116.7993 122.1728 121.4044 116.3625 122.6466 120.509 116.7993 122.1728 121.4044 116.3625 122.6466 120.5091 116.7993 122.1728 121.4044 116.3625 122.6466 120.5091 116.7993 119.1498 119.8637 120.9831 119.2752 119.5473 121.1738 119.1498 119.8637 120.9831 119.2752 119.5473 121.1738 119.1498 119.8637 120.9831 119.2752 119.5473 121.1738 119.1498 119.8637 120.9831 119.2752 119.5473 121.1738 120.0104 119.9573 120.0323 120.0104 119.9573 120.0323 120.0104 119.9573 120.0323 120.0104 119.9573 120.0323 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 = -0.0001|-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 A115 A116 A117 6 7 6 17 18 17 19 20 19 13 14 13 -1 -1 -2 179.9988 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 179.9988 179.9701 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 3 3 21 21 2 2 21 21 2 2 3 3 1 1 13 13 1 1 14 14 2 2 6 6 2 2 5 5 3 3 4 4 4 4 17 17 5 5 18 18 6 6 10 10 6 6 9 9 7 7 8 8 8 8 15 15 9 9 16 16 10 10 11 11 1 1 24 24 1 1 23 23 12 12 26 26 12 12 25 25 21 21 28 28 21 21 27 27 21 21 30 30 21 21 29 29 22 22 32 32 22 22 31 31 22 22 34 34 22 22 33 33 23 23 59 59 23 23 60 60 24 24 61 61 24 24 62 62 25 25 63 63 25 25 64 64 26 26 65 65 26 26 66 66 27 27 43 43 28 28 44 44 29 29 45 45 30 30 46 46 31 31 47 47 32 32 48 48 33 33 49 49 34 34 50 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 26 26 26 26 26 26 26 26 27 27 27 27 28 28 28 28 29 29 29 29 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 34 34 34 34 35 35 35 35 36 36 36 36 37 37 37 37 38 38 38 38 39 39 39 39 40 40 40 40 41 41 41 41 42 42 42 2 2 2 2 3 3 3 3 21 21 21 21 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 29 29 29 29 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 34 34 34 34 35 35 35 35 36 36 36 36 37 37 37 37 38 38 38 38 39 39 39 39 40 40 40 40 41 41 41 41 42 42 42 42 51 51 51 51 51 51 51 51 52 52 52 52 52 52 52 52 53 53 53 53 53 53 53 53 54 54 54 54 54 54 54 4 13 4 13 5 14 5 14 23 24 23 24 5 6 5 6 4 7 4 7 3 7 3 7 8 17 8 17 9 18 9 18 9 10 9 10 8 11 8 11 7 11 7 11 12 15 12 15 12 16 12 16 11 22 11 22 10 22 10 22 25 26 25 26 27 28 27 28 29 30 29 30 31 32 31 32 33 34 33 34 35 59 35 59 36 60 36 60 37 61 37 61 38 62 38 62 39 63 39 63 40 64 40 64 41 65 41 65 42 66 42 66 43 51 43 51 44 51 44 51 45 52 45 52 46 52 46 52 47 53 47 53 48 53 48 53 49 54 49 54 50 54 50 54 36 55 36 55 35 55 35 55 38 56 38 56 37 56 37 56 40 57 40 57 39 57 39 57 42 58 42 58 41 58 41 -0.3321 -178.2525 179.6679 1.7475 -0.3321 -178.2525 179.6679 1.7475 12.1636 -167.8364 -167.8364 12.1636 0.8225 -179.4585 178.7258 -1.5552 0.8225 -179.4585 178.7258 -1.5552 -1.0433 179.2026 179.2026 -0.5515 -179.15 0.2132 0.5388 179.902 -179.15 0.2132 0.5388 179.902 -0.5388 179.15 -179.902 -0.2132 -0.5388 179.15 -179.902 -0.2132 0.5515 -179.2026 -179.2026 1.0433 179.4585 1.5552 -0.8225 -178.7258 179.4585 1.5552 -0.8225 -178.7258 0.3321 -179.6679 178.2525 -1.7475 0.3321 -179.6679 178.2525 -1.7475 -12.1635 167.8365 167.8365 -12.1635 56.5687 -123.6581 -123.4313 56.3419 56.5687 -123.6581 -123.4313 56.3419 -56.5686 123.6582 123.4315 -56.3418 -56.5686 123.6582 123.4314 -56.3418 -179.9396 2.9892 0.274 -176.7972 179.9139 2.4337 -0.2991 -177.7793 -179.9395 2.9892 0.274 -176.7972 179.9139 2.4337 -0.2991 -177.7793 179.9395 -2.9892 -0.274 176.7973 -179.9139 -2.4336 0.2991 177.7793 179.9395 -2.9892 -0.274 176.7973 -179.9139 -2.4336 0.2991 177.7793 -179.434 -0.0997 -2.2238 177.1105 -179.166 0.1481 -1.5981 177.716 -179.434 -0.0997 -2.2238 177.1105 -179.166 0.1481 -1.5981 177.716 179.434 0.0998 2.2237 -177.1106 179.166 -0.1481 1.598 -177.716 179.434 0.0998 2.2237 -177.1105 179.166 -0.1481 1.598 -177.716 -0.0684 179.9523 179.2534 -0.7259 0.0454 -179.9753 179.3461 -0.6746 -0.0684 179.9523 179.2534 -0.7259 0.0454 -179.9753 179.3461 -0.6746 0.0684 -179.9523 -179.2534 0.7259 -0.0454 179.9753 -179.3461 0.6746 0.0684 -179.9523 -179.2534 0.7259 -0.0454 179.9753 -179.3461 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 792.0653999999994 AuxInfo=1/0/N:51,52,53,54,35,36,37,38,39,40,41,42,2,3,10,11,17,18,1,12,4,5,8,9,6,7,27,28,29,30,31,32,33,34,21,22,23,24,25,26,59,60,61,62,63,64,65,66,19,20/E:(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)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.2,18.2,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.3,39.3,40.3,49.1,50.1/rA:66C3C3C3C3C3C3C3C3C3C3C3C3HHHHC2C2N1N1C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHC3C3C3C3HHHHClClClClClClClCl/rB:s1;s1;s2;s3s4;s4;s5;s6;s7s8;s8;s9;s10s11;s2;s3;s10;s11;s6;s7;s17;s18;s1;s12;s21;s21;s22;s22;s23;s23;s24;s24;s25;s25;s26;s26;s27;s28;s29;s30;s31;s32;s33;s34;s35;s36;s37;s38;s39;s40;s41;s42;s35s36;s37s38;s39s40;s41s42;s51;s52;s53;s54;s27;s28;s29;s30;s31;s32;s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.0942748 0.0205020 0.0187314 0.0000 0.0000 0.0000 0.0000 -246.4365 -323.6862 -347.8075 0.0000 0.0000 -4.7157 59.5403 -17.7095 -41.8308 0.0000 0.0000 -4.7157 -3650.0129 0.0000 0.0000 -1598.0571 0.0000 0.0000 -1717.1456 0.0000 0.0000 -23.2818 -89289.4873 -9905.8912 -4164.3643 0.0000 0.0000 0.0000 427.3091 0.0000 622.4946 -15997.2235 -18982.3309 -2319.2898 296.7402 0.0000 0.0000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 792.0653999999994 AuxInfo=1/0/N:51,52,53,54,35,36,37,38,39,40,41,42,2,3,10,11,17,18,1,12,4,5,8,9,6,7,27,28,29,30,31,32,33,34,21,22,23,24,25,26,59,60,61,62,63,64,65,66,19,20/E:(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)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.2,18.2,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.3,39.3,40.3,49.1,50.1/rA:66C3C3C3C3C3C3C3C3C3C3C3C3HHHHC2C2N1N1C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHC3C3C3C3HHHHClClClClClClClCl/rB:s1;s1;s2;s3s4;s4;s5;s6;s7s8;s8;s9;s10s11;s2;s3;s10;s11;s6;s7;s17;s18;s1;s12;s21;s21;s22;s22;s23;s23;s24;s24;s25;s25;s26;s26;s27;s28;s29;s30;s31;s32;s33;s34;s35;s36;s37;s38;s39;s40;s41;s42;s35s36;s37s38;s39s40;s41s42;s51;s52;s53;s54;s27;s28;s29;s30;s31;s32;s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.0938198 0.0213680 0.0196935 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= 944 944 952 952 952 MxSgAt= 66 MxSgA2= 66. 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. PrsmSu: requested number of processors reduced to: 5 ShMem 1 Linda. NBasis= 1012 RedAO= T EigKep= 3.90D-05 NBF= 1012 NBsUse= 1012 1.00D-06 EigRej= -1.00D+00 NBFU= 1012 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= 955 955 963 963 963 MxSgAt= 66 MxSgA2= 66. 1 2.3583 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 C C C C C C C C C C C C H H H H C C N N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H C C C C H H H H Cl Cl Cl Cl Cl Cl Cl Cl 13 13 13 13 13 13 13 13 13 13 13 13 1 1 1 1 13 13 14 14 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 1 1 1 1 1 1 1 1 13 13 13 13 1 1 1 1 35 35 35 35 35 35 35 35 -0.04511 0.03582 0.03582 -0.03164 -0.03164 0.03799 0.03799 -0.03164 -0.03164 0.03582 0.03582 -0.04511 -0.00588 -0.00588 -0.00588 -0.00588 -0.06001 -0.06001 0.01491 0.01491 0.03501 0.03501 -0.02018 -0.02018 -0.02018 -0.02018 0.01965 0.02041 0.01965 0.02041 0.01965 0.02041 0.01965 0.02041 -0.00361 -0.00363 -0.00361 -0.00363 -0.00361 -0.00363 -0.00361 -0.00363 0.00073 0.00076 0.00073 0.00076 0.00073 0.00076 0.00073 0.00076 0.00518 0.00518 0.00518 0.00518 -0.00089 -0.00089 -0.00089 -0.00089 0.00893 0.00024 0.00893 0.00024 0.00893 0.00024 0.00893 0.00024 -25.35401 20.13373 20.13373 -17.78439 -17.78439 21.35619 21.35619 -17.78439 -17.78439 20.13373 20.13373 -25.35401 -13.13961 -13.13961 -13.13961 -13.13961 -33.73073 -33.73073 2.40887 2.40886 19.68148 19.68148 -11.34368 -11.34368 -11.34368 -11.34368 11.04481 11.47327 11.04481 11.47327 11.04481 11.47327 11.04481 11.47327 -2.02706 -2.03808 -2.02706 -2.03808 -2.02706 -2.03808 -2.02706 -2.03808 1.64063 1.69951 1.64063 1.69951 1.64063 1.69951 1.64063 1.69951 2.91249 2.91249 2.91249 2.91249 -1.99533 -1.99533 -1.99533 -1.99533 1.95812 0.05162 1.95812 0.05162 1.95812 0.05162 1.95812 0.05162 -9.04694 7.18422 7.18422 -6.34591 -6.34591 7.62042 7.62042 -6.34591 -6.34591 7.18422 7.18422 -9.04694 -4.68854 -4.68854 -4.68854 -4.68854 -12.03596 -12.03596 0.85954 0.85954 7.02284 7.02284 -4.04771 -4.04771 -4.04771 -4.04771 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-0.3399 0.8094 -0.5245 0.8501 0.0467 0.704 0.4022 0.5854 -0.0303 -0.0254 0.0557 -4.063 -3.409 7.472 -1.45 -1.216 2.666 -1.355 -1.137 2.492 54 C 13 -0.4312 -0.2815 0.8572 0.7159 0.4715 0.515 -0.5492 0.8357 -0.0018 -0.0034 -8.0E-4 0.0043 -1.815 -0.453 2.268 -0.648 -0.161 0.809 -0.606 -0.151 0.756 55 H 1 0.4312 -0.2815 0.8572 0.7159 -0.4715 -0.515 0.5492 0.8357 -0.0018 -0.0034 -8.0E-4 0.0043 -1.815 -0.453 2.268 -0.648 -0.161 0.809 -0.606 -0.151 0.756 56 H 1 0.4312 -0.2815 0.8572 0.7159 -0.4715 -0.515 0.5492 0.8357 -0.0018 -0.0034 -8.0E-4 0.0043 -1.815 -0.453 2.268 -0.648 -0.161 0.809 -0.606 -0.151 0.756 57 H 1 -0.4312 -0.2815 0.8572 0.7159 0.4715 0.515 -0.5492 0.8357 -0.0018 -0.0034 -8.0E-4 0.0043 -1.815 -0.453 2.268 -0.648 -0.161 0.809 -0.606 -0.151 0.756 58 H 1 -0.6107 0.2164 0.7617 0.1557 0.976 -0.1524 0.7764 -0.0256 0.6297 -0.0419 -0.0282 0.0701 -2.192 -1.477 3.669 -0.782 -0.527 1.309 -0.731 -0.493 1.224 59 Cl 35 0.0722 0.7169 -0.6934 0.8484 -0.4097 -0.3352 0.5243 0.5641 0.6379 -0.0267 -0.0036 0.0303 -1.397 -0.191 1.588 -0.498 -0.068 0.566 -0.466 -0.064 0.53 60 Cl 35 0.6107 0.2164 0.7617 -0.1557 0.976 -0.1524 0.7764 0.0256 -0.6297 -0.0419 -0.0282 0.0701 -2.192 -1.477 3.669 -0.782 -0.527 1.309 -0.731 -0.493 1.224 61 Cl 35 -0.0722 0.7169 -0.6934 0.8484 0.4097 0.3352 -0.5243 0.5641 0.6379 -0.0267 -0.0036 0.0303 -1.397 -0.191 1.588 -0.498 -0.068 0.566 -0.466 -0.064 0.53 62 Cl 35 0.6107 0.2164 0.7617 -0.1557 0.976 -0.1524 0.7764 0.0256 -0.6297 -0.0419 -0.0282 0.0701 -2.192 -1.477 3.669 -0.782 -0.527 1.309 -0.731 -0.493 1.224 63 Cl 35 -0.0722 0.7169 -0.6934 0.8484 0.4097 0.3352 -0.5243 0.5641 0.6379 -0.0267 -0.0036 0.0303 -1.397 -0.191 1.588 -0.498 -0.068 0.566 -0.466 -0.064 0.53 64 Cl 35 -0.6107 0.2164 0.7617 0.1557 0.976 -0.1524 0.7764 -0.0256 0.6297 -0.0419 -0.0282 0.0701 -2.192 -1.477 3.669 -0.782 -0.527 1.309 -0.731 -0.493 1.224 65 Cl 35 1.54836243e-07 9.32424804e-09 5.73123771e-10 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 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 6 6 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 6 6 6 6 1 1 1 1 17 17 17 17 17 17 17 17 -0.026685175 0.000000000 0.000000000 0.028131491 0.036911961 0.007988894 0.028131491 -0.036911961 -0.007988895 -0.024529657 0.038242650 0.000841756 -0.024529658 -0.038242650 -0.000841755 0.000000025 0.019156782 -0.000296802 0.000000026 -0.019156782 0.000296802 0.024529704 0.038242656 0.000841759 0.024529703 -0.038242656 -0.000841759 -0.028131530 0.036911950 0.007988894 -0.028131530 -0.036911950 -0.007988894 0.026685112 0.000000000 0.000000000 0.022434631 -0.059244733 0.004512346 0.022434631 0.059244733 -0.004512346 -0.022434635 -0.059244747 0.004512349 -0.022434634 0.059244746 -0.004512350 -0.000000007 0.223085500 -0.000093705 -0.000000007 -0.223085501 0.000093705 0.000000001 -0.260538430 -0.000033700 0.000000001 0.260538431 0.000033700 0.060928546 0.000000000 0.000000000 -0.060928572 0.000000001 0.000000000 -0.014231088 0.029083549 -0.000932105 -0.014231088 -0.029083549 0.000932105 0.014231086 0.029083539 -0.000932116 0.014231086 -0.029083539 0.000932116 -0.028190863 0.025299663 0.025324865 -0.004246314 0.035809415 -0.026874592 -0.028190862 -0.025299663 -0.025324865 -0.004246314 -0.035809415 0.026874592 0.028190856 0.025299678 0.025324839 0.004246327 0.035809428 -0.026874585 0.028190855 -0.025299679 -0.025324839 0.004246327 -0.035809429 0.026874584 0.002286169 0.007857505 -0.008180893 -0.007982867 0.003497593 0.007198069 0.002286169 -0.007857504 0.008180893 -0.007982867 -0.003497592 -0.007198069 -0.002286161 0.007857510 -0.008180886 0.007982877 0.003497609 0.007198068 -0.002286161 -0.007857509 0.008180886 0.007982877 -0.003497609 -0.007198068 -0.009938445 -0.041568028 0.041567796 0.041036588 -0.012215421 -0.041468383 -0.009938445 0.041568028 -0.041567796 0.041036588 0.012215421 0.041468383 0.009938446 -0.041568034 0.041567801 -0.041036588 -0.012215425 -0.041468381 0.009938446 0.041568034 -0.041567801 -0.041036588 0.012215425 0.041468381 -0.000786303 -0.000099535 0.000720292 -0.000786303 0.000099535 -0.000720292 0.000786298 -0.000099533 0.000720284 0.000786298 0.000099533 -0.000720285 0.029859670 -0.051629047 0.000032530 0.029859670 0.051629046 -0.000032530 -0.029859672 -0.051629052 0.000032532 -0.029859672 0.051629052 -0.000032532 -0.019808042 0.009593056 -0.002796951 -0.000453247 0.015908435 -0.007286922 -0.019808043 -0.009593056 0.002796950 -0.000453247 -0.015908435 0.007286923 0.019808051 0.009593053 -0.002796951 0.000453244 0.015908420 -0.007286919 0.019808051 -0.009593053 0.002796951 0.000453243 -0.015908420 0.007286919 0.260538431 0.041780961 (Enter /aplic/Gaussian/g09d01_prebuilt/g09/l716.exe) 2.2601 2.1980 2.1621 2.1614 2.1727 2.1744 2.1710 2.1699 2.1700 2.1698 open 1 1 1 -5322.15767110075 -5322.15778949075 -0.000118390006 -5322.15778973568 -0.000000244923 -5322.15779154392 -0.000001808246 -5322.15779282498 -0.000001281054 -5322.15779286214 -0.000000037156 -5322.15779287799 -0.000000015852 -5322.15779288008 -0.000000002094 -5322.15779288051 -0.000000000429 -5322.15779288071 -0.000000000196 -5322.15779288 10 2.1699 5.309125658994e+03 -2.822261601536e+04 9.762042415282e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 3421330 IEndB= 3421330 NGot= 33554432 MDV= 31278649 LenX= 31278649 LenY= 30149743 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. 2.1699 (Enter /aplic/Gaussian/g09d01_prebuilt/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V 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