Gaussian 16 GINC-GARGANTA LAMSABHI Optimization 14H2O CONF15 gas EM64L-G16RevC.01 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 42 42 70 70 476 (5D, 7F) 6-311+G(d,p) 120 120 C1[X(H28O14)] C1[X(H28O14)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq 223.99160000000003 0 1 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4042,-1.2697,-1.4601;1.4502,-1.6395,1.3904;2.3104,-1.4884,-1.7175;-2.1928,-2.238,-1.4679;-2.5762,-3.0208,-1.8668;.701,1.177,2.3559;.804,1.2486,3.3071;-2.1936,-2.3859,-.4781;1.6113,1.3513,1.9643;.5199,-1.3615,1.3078;.4878,-.4783,1.7279;3.2349,-1.2845,-1.4987;3.2967,-.3189,-1.6027;3.0863,1.35,1.3764;3.3522,.4164,1.4094;3.0811,1.5669,.4227;-3.501,.2695,-1.286;-3.0925,-.5775,-1.5366;-3.6809,.1743,-.3345;3.2954,-1.5044,1.1083;3.3344,-1.4901,.1103;3.9681,-2.1204,1.4029;-3.389,.0591,1.5249;-4.1127,.2206,2.1322;-2.7646,.8387,1.6092;-1.8397,2.2882,-1.2393;-2.4629,1.5118,-1.3384;-2.2536,3.0217,-1.6982;-1.7981,2.114,1.5566;-.8884,1.8824,1.8161;-1.7556,2.3486,.6122;-2.1017,-2.403,1.1366;-1.1712,-2.2162,1.3458;-2.588,-1.6054,1.4142;2.9601,1.5583,-1.3637;3.4584,2.1725,-1.9054;2.012,1.5789,-1.6992;.5711,1.3317,-2.2763;.4292,.3813,-2.0884;-.43,-1.7224,-1.6802;-.2119,1.7821,-1.9134;.413,-1.2331,-.4813; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6520701/Gau-267776.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6520701/" chk=/home/lamsabhi/diver/BF3-H2O/14H2O/gas/CONF15/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=41/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization 14H2O CONF15 gas 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 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 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 (Enter /usr/local/gaussian/gaussian16/g16/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 1 1 1 1 2 2 3 4 4 4 4 6 6 6 6 8 9 10 10 10 12 12 13 14 14 15 16 17 17 17 19 20 20 23 23 23 25 26 26 26 26 29 29 32 32 35 35 37 38 38 3 39 40 42 10 20 12 5 8 18 40 7 9 11 30 32 14 11 33 42 13 21 35 15 16 20 35 18 19 27 23 21 22 24 25 34 29 27 28 31 41 30 31 33 34 36 37 38 39 41 1.936 1.7667 0.9743 0.9795 0.9744 1.8715 0.9716 0.9586 1.0008 1.8899 1.8488 0.9594 1.0062 1.7832 1.8207 1.6174 1.5879 0.9786 1.8952 1.7969 0.9731 1.6251 1.9221 0.9713 0.9781 1.9451 1.7905 0.9731 0.9731 1.6199 1.8856 0.9988 0.9585 0.9585 1.0023 1.8505 1.601 1.0005 0.9591 1.8544 1.8331 0.974 0.974 0.9719 0.9745 0.9586 1.0059 1.5717 0.9792 0.9735 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 3 39 39 40 10 1 5 5 5 8 8 18 7 7 7 9 9 11 2 2 2 11 11 33 3 3 13 12 9 9 15 14 18 18 19 4 17 2 2 2 15 15 21 19 19 19 24 24 25 27 27 27 28 28 31 25 25 30 26 8 8 33 10 13 13 13 16 16 36 37 37 39 1 1 1 1 1 1 1 2 3 4 4 4 4 4 4 6 6 6 6 6 6 10 10 10 10 10 10 12 12 12 13 14 14 14 15 17 17 17 18 19 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 29 29 29 31 32 32 32 33 35 35 35 35 35 35 38 38 38 40 39 40 42 40 42 42 20 12 8 18 40 18 40 40 9 11 30 11 30 30 11 33 42 33 42 42 13 21 21 35 15 16 16 20 19 27 27 17 23 15 21 22 21 22 22 24 25 34 25 34 34 28 31 41 31 41 41 30 31 31 29 33 34 34 32 16 36 37 36 37 37 39 41 41 4 92.5421 139.5121 97.3657 111.4698 108.6833 104.5242 155.2221 152.0287 106.8923 120.795 124.1497 99.5161 98.9507 101.8094 106.0076 115.5537 111.0224 97.5793 127.3895 98.6765 104.6211 136.186 99.2975 111.6609 111.1539 89.9496 104.1616 104.7511 103.148 160.8532 104.0366 110.8435 104.3436 159.3819 104.1375 112.9615 103.0106 162.7893 160.3209 94.4003 100.9596 126.8178 98.0114 124.5064 106.7936 119.8422 97.5807 93.611 106.6168 121.0823 115.784 106.0989 98.7654 107.6045 118.1878 114.7353 109.6257 111.4512 104.4855 105.9555 163.3806 105.5024 104.3185 105.021 159.5071 96.7131 117.6786 98.2551 121.7088 113.3451 106.7586 102.4199 121.8503 105.1245 156.9252 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 4 6 6 14 12 23 17 6 23 35 1 26 1 4 6 6 14 12 23 17 6 23 35 1 26 1 8 9 11 16 21 25 27 30 34 37 39 41 42 8 9 11 16 21 25 27 30 34 37 39 41 42 32 14 10 35 20 29 26 29 32 38 38 38 10 32 14 10 35 20 29 26 29 32 38 38 38 10 1 1 13 4 4 1 1 1 6 2 6 2 4 1 1 13 4 4 1 1 1 6 2 6 2 4 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 174.0342 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 175.3656 170.6728 169.2314 175.3166 176.9662 181.3355 176.2989 176.9125 174.2047 169.9075 174.269 180.3851 173.5026 189.0253 176.5636 188.5038 187.5545 173.8138 187.5285 171.0123 194.3068 188.7686 173.0917 169.2983 172.6435 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 39 40 42 3 3 3 39 39 39 40 40 40 3 3 40 40 42 42 3 39 42 20 20 20 10 10 10 1 1 5 5 18 18 40 40 5 8 40 5 8 18 7 7 7 9 9 9 30 30 30 7 7 11 11 30 30 7 7 9 9 11 11 2 11 42 3 21 3 3 3 13 13 13 12 12 12 9 16 9 9 9 15 15 15 14 14 14 19 27 18 27 18 18 18 19 19 19 17 17 17 19 19 24 24 34 34 19 19 24 24 25 25 27 28 41 27 27 28 28 31 31 25 30 8 34 13 13 16 16 36 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 4 4 4 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 10 10 10 12 12 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 14 14 15 15 15 17 17 17 17 17 17 17 17 17 17 19 19 19 23 23 23 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 26 26 26 29 29 32 32 35 35 35 35 35 35 3 3 3 10 10 10 10 10 10 10 10 10 38 38 38 38 38 38 40 40 40 10 10 10 20 20 20 12 12 32 32 32 32 32 32 18 18 18 40 40 40 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 29 29 29 29 29 29 33 33 33 13 13 20 20 20 20 20 20 35 35 35 15 15 35 35 35 35 35 35 20 20 20 18 18 19 19 26 26 26 26 26 26 23 23 23 29 29 29 29 29 29 32 32 32 32 32 32 31 31 31 38 38 38 38 38 38 31 31 33 33 38 38 38 38 38 38 12 12 12 2 11 33 2 11 33 2 11 33 37 41 37 41 37 41 4 4 4 11 33 42 15 21 22 13 21 33 34 33 34 33 34 17 17 17 1 1 1 2 33 42 2 33 42 2 33 42 15 16 15 16 15 16 25 31 25 31 25 31 32 32 32 35 35 2 15 22 2 15 22 16 36 37 20 20 13 36 37 13 36 37 2 21 22 4 4 23 23 28 31 41 28 31 41 24 25 34 30 31 30 31 30 31 8 33 8 33 8 33 29 29 29 37 39 37 39 37 39 26 26 10 10 39 41 39 41 39 41 68.8954 -163.0604 -40.3164 -9.783 99.8555 -146.489 -104.6663 4.9722 118.6277 134.3201 -116.0415 -2.3859 -32.783 -158.2623 179.5576 54.0783 64.9731 -60.5063 151.135 -86.5823 30.6422 -60.8997 153.7241 53.9743 42.0486 -57.0005 -177.836 -56.4364 51.5643 126.9115 -124.0303 -106.1799 2.8783 -3.6052 105.453 129.2665 12.9777 -88.338 -157.4051 -39.8707 61.8951 -74.0518 82.5532 -177.3368 36.2189 -167.1761 -67.0661 165.511 -37.884 62.2261 87.6457 -162.1682 -29.7129 80.4732 -133.4628 -23.2767 -89.8582 158.6567 135.4778 23.9926 30.393 -81.0921 -146.2759 69.9918 -42.8349 58.8047 -50.3798 -10.1251 -105.1346 124.8985 97.3899 2.3804 -127.5865 50.3172 -178.4318 -64.5337 54.9874 -61.276 -101.9693 130.8055 -2.0538 5.4767 -121.7485 105.3922 -40.4324 61.3027 178.099 -21.594 89.4361 73.2228 -44.8827 133.5042 -105.0959 7.5542 -115.8812 5.5188 118.1688 159.8311 45.6927 -70.9283 -115.7079 -2.5855 121.182 -125.6957 -19.9795 93.1428 3.6322 111.2403 130.756 -121.636 -94.3724 13.2356 20.842 134.48 -91.4839 -139.2088 -27.1925 104.3759 -143.6078 -34.4282 77.5881 -20.0195 97.8016 48.2941 -61.5926 23.8137 139.3481 -74.4494 41.0851 144.1992 -100.2663 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 490 A 476 A 728 490 1295.4385394237 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 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. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 2.13D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Berny optimization. local minimum Step number 18 out of a maximum of 252 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00072 0.00220 0.00372 0.00528 0.00590 0.00627 0.00683 0.00688 0.00775 0.00841 0.00868 0.00980 0.01039 0.01132 0.01263 0.01311 0.01479 0.01706 0.01825 0.01866 0.02024 0.02141 0.02443 0.02554 0.02785 0.02887 0.02973 0.03292 0.03362 0.03516 0.03586 0.03611 0.03821 0.03982 0.03994 0.04154 0.04308 0.04403 0.04473 0.04604 0.04691 0.04779 0.04923 0.04964 0.04997 0.05030 0.05117 0.05163 0.05291 0.05394 0.05414 0.05573 0.05666 0.05771 0.05862 0.05906 0.05978 0.06098 0.06214 0.06329 0.06443 0.06573 0.06676 0.06804 0.06887 0.07015 0.07221 0.07289 0.07405 0.07655 0.07714 0.07790 0.08120 0.08299 0.08426 0.08508 0.08599 0.09086 0.09273 0.09336 0.09640 0.10168 0.10257 0.10753 0.11431 0.11763 0.12262 0.12584 0.13510 0.14273 0.15146 0.15461 0.36556 0.37611 0.38446 0.41068 0.41921 0.42519 0.43455 0.44310 0.45096 0.46635 0.47095 0.47389 0.47561 0.49233 0.49983 0.50503 0.50710 0.51338 0.51606 0.51845 0.52372 0.53606 0.55635 0.55698 0.55773 0.55797 0.55811 0.59202 -4.54053685e-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 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 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 3.55804 3.37522 1.84479 1.85489 1.84625 3.53559 1.84449 1.81724 1.88738 3.58916 3.50674 1.81848 1.89124 3.45509 3.45827 3.13888 3.09938 1.84945 3.55253 3.42315 1.84256 3.12724 3.62225 1.84100 1.84814 3.61404 3.45414 1.84196 1.84251 3.15715 3.57388 1.88873 1.81725 1.81737 1.88820 3.49822 3.11253 1.88387 1.81793 3.52336 3.52059 1.84402 1.84327 1.84248 1.84538 1.81724 1.88832 3.09450 1.85219 1.84117 1.57891 2.37399 1.73659 1.99286 1.90385 1.83621 2.74154 2.70519 1.87557 2.16668 2.20777 1.73284 1.69746 1.68149 1.85773 2.14035 1.96006 1.66874 2.19574 1.64094 1.83080 2.36657 1.75626 1.96622 1.97570 1.49943 1.82526 1.84268 1.87432 2.80781 1.85759 1.99509 1.83495 2.81556 1.82572 2.06820 1.85310 2.82091 2.80729 1.59837 1.78564 2.23005 1.67661 2.19632 1.87411 2.16503 1.68750 1.59013 1.86721 2.13971 1.96183 1.85959 1.71378 1.87161 2.13469 2.07488 1.76484 2.03501 1.89393 1.87121 2.83185 1.90997 1.86617 1.83453 2.79681 1.61072 2.11893 1.71217 2.16655 1.93063 1.86915 1.83840 2.25867 1.83622 2.76127 2.97826 3.03224 2.92044 2.94439 3.03325 3.04381 3.12254 3.13237 3.09015 2.96708 3.00976 2.96526 3.20714 2.98593 3.29573 3.11678 3.24022 3.33961 3.03123 3.30771 2.93818 3.39241 3.30510 3.00353 2.94355 3.02234 1.29424 -2.77672 -0.61588 -0.19274 1.73791 -2.56089 -1.80880 0.12186 2.10624 2.28118 -2.07135 -0.08696 -0.51322 -2.90029 -3.00494 0.89117 1.21993 -1.16714 2.60550 -1.60836 0.47849 -1.20827 2.50455 0.84577 0.81444 -0.87076 -3.03093 -1.13553 0.83929 2.17422 -2.17246 -1.82138 0.11513 -0.13711 1.79940 2.31177 0.24233 -1.47596 -2.65749 -0.59683 1.15272 -1.33630 1.44581 3.11837 0.60837 -2.89272 -1.22016 2.81041 -0.69068 0.98188 1.69421 -2.60558 -0.47544 1.50795 -2.12647 -0.14308 -1.61334 2.55410 2.30978 0.19403 0.58810 -1.52765 -2.44537 1.29809 -0.68217 1.01428 -0.93794 -0.19272 -1.79205 2.21371 1.71154 0.11221 -2.16521 0.84309 -3.11831 -1.09773 0.96097 -1.16184 -1.81067 2.20095 -0.09892 0.14124 -2.13032 1.85300 -0.68895 1.10100 3.13545 -0.42475 1.63427 1.46690 -0.73371 2.30403 -1.78505 0.00456 -1.97107 0.22304 2.01265 2.63751 0.61761 -1.34958 -2.01317 0.06969 2.04412 -2.15621 -0.41096 1.67190 -0.01454 1.95304 2.27854 -2.03707 -1.68867 0.27891 0.11165 2.12858 -1.79901 -2.48747 -0.42253 1.71270 -2.50554 -0.72662 1.33832 -0.22963 1.98221 0.87112 -1.12762 0.39245 2.53002 -1.21886 0.91871 2.56249 -1.58313 -0.00002 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00000 -0.00002 0.00000 -0.00004 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00002 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00002 0.00000 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00002 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00039 0.00096 0.00003 0.00006 0.00002 0.00035 0.00002 0.00002 0.00003 0.00083 0.00004 0.00002 -0.00003 0.00022 0.00066 -0.00011 0.00049 0.00003 0.00058 -0.00039 -0.00003 -0.00076 0.00068 -0.00001 -0.00004 0.00073 0.00094 -0.00005 0.00000 0.00022 0.00008 0.00020 0.00004 0.00003 0.00002 0.00081 0.00011 0.00003 0.00003 0.00039 0.00010 -0.00003 0.00000 -0.00001 -0.00005 0.00004 -0.00010 0.00091 -0.00007 0.00002 0.00014 -0.00020 0.00021 -0.00032 0.00047 -0.00007 0.00018 0.00025 0.00013 0.00007 -0.00071 0.00053 0.00018 0.00012 -0.00012 -0.00019 0.00075 -0.00009 -0.00023 -0.00035 0.00005 -0.00027 -0.00018 0.00057 -0.00021 -0.00032 0.00038 -0.00011 -0.00019 -0.00072 0.00007 -0.00078 0.00001 -0.00044 0.00031 -0.00023 -0.00028 -0.00040 0.00033 0.00009 -0.00009 -0.00009 0.00021 0.00012 -0.00019 -0.00060 0.00043 0.00002 0.00006 0.00006 0.00008 -0.00002 0.00022 0.00033 -0.00040 0.00061 -0.00069 -0.00048 0.00007 0.00010 0.00029 0.00016 -0.00045 -0.00001 -0.00013 0.00031 -0.00017 0.00009 -0.00012 0.00022 -0.00023 -0.00036 -0.00017 -0.00007 0.00006 -0.00056 0.00005 0.00049 0.00023 -0.00006 -0.00015 -0.00037 0.00045 -0.00008 0.00057 -0.00014 -0.00021 0.00031 -0.00021 -0.00016 -0.00022 0.00031 -0.00049 -0.00071 0.00029 -0.00010 -0.00046 0.00032 -0.00023 -0.00006 -0.00004 0.00017 -0.00034 -0.00034 0.00002 -0.00015 0.00035 -0.00019 -0.00035 0.00014 -0.00014 -0.00030 0.00019 -0.00071 -0.00017 -0.00036 0.00019 -0.00047 0.00007 0.00035 -0.00008 0.00027 0.00064 -0.00036 0.00037 0.00024 0.00001 0.00046 0.00014 0.00005 -0.00083 -0.00106 -0.00021 -0.00044 -0.00009 -0.00032 0.00077 0.00011 -0.00017 -0.00050 -0.00056 0.00003 -0.00034 -0.00005 -0.00020 -0.00057 -0.00028 -0.00043 -0.00083 -0.00055 -0.00070 -0.00027 -0.00055 -0.00003 -0.00031 0.00044 0.00016 0.00090 0.00093 0.00045 0.00047 0.00076 0.00078 -0.00049 -0.00140 -0.00110 -0.00098 -0.00094 0.00006 -0.00011 -0.00042 0.00042 0.00026 -0.00005 0.00093 0.00094 0.00065 0.00026 0.00113 -0.00009 -0.00001 0.00012 -0.00026 -0.00018 -0.00006 -0.00056 -0.00063 -0.00065 0.00097 0.00071 -0.00113 -0.00088 0.00072 0.00034 -0.00037 0.00069 0.00030 -0.00040 0.00082 0.00066 0.00055 -0.00046 -0.00063 0.00015 -0.00003 -0.00043 -0.00060 0.00013 0.00022 -0.00055 -0.00046 -0.00041 -0.00032 -0.00274 -0.00278 -0.00298 0.00071 -0.00025 0.00004 -0.00092 0.00081 -0.00015 0.00307 0.00259 0.00123 0.00168 0.00071 0.00027 0.00032 -0.00011 0.00042 -0.00001 -0.00033 -0.00033 0.00000 0.00001 -0.00001 -0.00014 0.00001 -0.00002 -0.00002 -0.00034 -0.00013 -0.00002 0.00001 -0.00025 -0.00034 -0.00019 -0.00022 -0.00002 -0.00025 -0.00027 0.00001 -0.00027 -0.00034 -0.00000 0.00000 -0.00004 -0.00014 0.00001 -0.00000 -0.00021 -0.00018 -0.00001 -0.00002 -0.00002 -0.00001 -0.00031 -0.00009 -0.00002 -0.00002 -0.00032 -0.00045 0.00001 0.00000 -0.00000 0.00002 -0.00002 0.00001 -0.00017 0.00001 0.00001 0.00009 -0.00000 -0.00003 -0.00017 0.00008 0.00006 0.00001 -0.00001 0.00007 0.00004 0.00005 -0.00008 -0.00010 -0.00004 0.00008 -0.00004 -0.00005 0.00008 -0.00006 -0.00003 -0.00001 -0.00001 0.00011 -0.00005 0.00024 -0.00018 -0.00007 0.00014 0.00017 0.00005 0.00001 0.00003 -0.00000 -0.00002 -0.00006 0.00019 0.00002 0.00007 0.00009 -0.00006 -0.00015 -0.00002 -0.00002 0.00008 0.00012 0.00001 -0.00014 -0.00000 0.00004 0.00002 0.00005 0.00013 -0.00003 0.00009 -0.00011 0.00002 -0.00007 -0.00000 -0.00001 0.00003 0.00009 0.00016 0.00016 -0.00004 -0.00002 -0.00014 0.00018 -0.00007 0.00007 -0.00007 -0.00000 0.00008 -0.00013 0.00003 -0.00006 -0.00006 0.00002 -0.00022 0.00010 0.00002 -0.00024 -0.00030 0.00006 0.00015 0.00002 -0.00006 0.00018 0.00017 0.00002 0.00016 0.00016 -0.00009 0.00012 0.00022 0.00001 0.00027 0.00014 -0.00012 -0.00013 -0.00021 0.00006 0.00010 -0.00006 0.00001 -0.00004 0.00006 -0.00002 -0.00010 0.00001 -0.00008 -0.00001 0.00010 0.00001 0.00019 0.00031 0.00023 0.00035 0.00017 0.00029 0.00002 -0.00007 -0.00002 -0.00018 -0.00002 0.00013 -0.00012 -0.00007 -0.00008 -0.00020 0.00002 0.00001 0.00009 0.00004 0.00013 -0.00001 0.00007 -0.00002 -0.00007 0.00005 0.00004 0.00008 -0.00002 0.00007 0.00009 -0.00009 0.00021 0.00023 0.00005 0.00015 0.00017 -0.00001 -0.00008 -0.00008 -0.00006 -0.00006 -0.00007 -0.00006 0.00000 -0.00004 0.00008 0.00004 -0.00004 -0.00008 -0.00007 0.00008 -0.00009 0.00018 -0.00002 -0.00002 0.00005 -0.00005 -0.00000 0.00007 -0.00003 -0.00013 -0.00005 -0.00003 0.00018 0.00014 0.00004 -0.00013 -0.00007 0.00010 -0.00008 -0.00001 -0.00008 -0.00024 -0.00006 -0.00002 0.00007 0.00014 -0.00006 0.00012 0.00005 -0.00006 0.00010 0.00004 -0.00007 0.00003 0.00009 0.00006 -0.00000 -0.00003 -0.00002 -0.00004 -0.00005 -0.00008 -0.00024 -0.00002 -0.00027 -0.00006 -0.00005 0.00016 -0.00024 -0.00015 -0.00031 -0.00026 -0.00007 -0.00047 -0.00028 -0.00028 -0.00009 0.00027 0.00028 0.00011 -0.00012 -0.00017 -0.00013 -0.00002 0.00002 0.00002 0.00006 -0.00072 0.00063 0.00003 0.00007 0.00001 0.00021 0.00003 -0.00000 0.00001 0.00049 -0.00009 0.00001 -0.00002 -0.00003 0.00031 -0.00030 0.00027 0.00001 0.00032 -0.00066 -0.00002 -0.00103 0.00034 -0.00002 -0.00004 0.00069 0.00080 -0.00005 0.00000 0.00001 -0.00010 0.00019 0.00001 0.00000 0.00001 0.00050 0.00002 0.00002 0.00000 0.00007 -0.00035 -0.00001 0.00000 -0.00001 -0.00003 0.00002 -0.00009 0.00074 -0.00006 0.00002 0.00022 -0.00020 0.00018 -0.00049 0.00055 -0.00000 0.00018 0.00025 0.00020 0.00010 -0.00066 0.00045 0.00008 0.00007 -0.00004 -0.00023 0.00071 -0.00000 -0.00029 -0.00037 0.00004 -0.00028 -0.00006 0.00052 0.00003 -0.00050 0.00031 0.00003 -0.00001 -0.00067 0.00008 -0.00075 0.00000 -0.00045 0.00025 -0.00003 -0.00027 -0.00033 0.00042 0.00003 -0.00024 -0.00011 0.00019 0.00020 -0.00007 -0.00059 0.00029 0.00001 0.00010 0.00008 0.00013 0.00011 0.00019 0.00042 -0.00051 0.00062 -0.00076 -0.00048 0.00006 0.00013 0.00038 0.00032 -0.00029 -0.00004 -0.00015 0.00017 0.00001 0.00002 -0.00005 0.00015 -0.00023 -0.00028 -0.00031 -0.00003 -0.00001 -0.00062 0.00007 0.00026 0.00033 -0.00003 -0.00038 -0.00067 0.00051 0.00007 0.00059 -0.00020 -0.00002 0.00047 -0.00018 0.00000 -0.00006 0.00022 -0.00037 -0.00049 0.00030 0.00017 -0.00032 0.00020 -0.00036 -0.00027 0.00002 0.00028 -0.00040 -0.00034 -0.00002 -0.00009 0.00033 -0.00028 -0.00035 0.00007 -0.00014 -0.00020 0.00021 -0.00053 0.00013 -0.00013 0.00053 -0.00030 0.00036 0.00036 -0.00015 0.00025 0.00047 -0.00037 0.00049 0.00012 -0.00006 0.00038 -0.00005 0.00008 -0.00082 -0.00097 -0.00017 -0.00031 -0.00010 -0.00025 0.00075 0.00004 -0.00012 -0.00046 -0.00047 0.00001 -0.00027 0.00003 -0.00029 -0.00036 -0.00005 -0.00038 -0.00069 -0.00038 -0.00070 -0.00035 -0.00063 -0.00009 -0.00037 0.00038 0.00010 0.00090 0.00089 0.00053 0.00051 0.00072 0.00071 -0.00057 -0.00132 -0.00120 -0.00079 -0.00096 0.00004 -0.00005 -0.00047 0.00042 0.00033 -0.00009 0.00080 0.00089 0.00062 0.00044 0.00127 -0.00005 -0.00014 0.00004 -0.00016 -0.00025 -0.00007 -0.00065 -0.00088 -0.00071 0.00095 0.00078 -0.00099 -0.00094 0.00084 0.00039 -0.00043 0.00079 0.00034 -0.00047 0.00085 0.00076 0.00060 -0.00046 -0.00066 0.00013 -0.00007 -0.00048 -0.00068 -0.00011 0.00020 -0.00082 -0.00052 -0.00046 -0.00016 -0.00298 -0.00294 -0.00329 0.00045 -0.00032 -0.00043 -0.00120 0.00053 -0.00024 0.00334 0.00287 0.00134 0.00156 0.00053 0.00014 0.00030 -0.00009 0.00045 0.00005 3.55732 3.37585 1.84481 1.85496 1.84626 3.53580 1.84452 1.81724 1.88739 3.58965 3.50665 1.81848 1.89122 3.45507 3.45858 3.13858 3.09964 1.84946 3.55285 3.42249 1.84254 3.12621 3.62260 1.84099 1.84810 3.61473 3.45494 1.84191 1.84252 3.15716 3.57378 1.88892 1.81726 1.81737 1.88821 3.49872 3.11255 1.88389 1.81793 3.52343 3.52024 1.84400 1.84327 1.84247 1.84534 1.81726 1.88823 3.09524 1.85213 1.84119 1.57913 2.37379 1.73678 1.99237 1.90440 1.83621 2.74173 2.70544 1.87577 2.16679 2.20711 1.73329 1.69754 1.68156 1.85769 2.14011 1.96077 1.66873 2.19545 1.64057 1.83085 2.36629 1.75619 1.96674 1.97573 1.49893 1.82557 1.84271 1.87431 2.80713 1.85767 1.99434 1.83495 2.81511 1.82597 2.06817 1.85283 2.82058 2.80771 1.59840 1.78540 2.22994 1.67679 2.19652 1.87404 2.16444 1.68779 1.59014 1.86731 2.13979 1.96196 1.85969 1.71397 1.87202 2.13418 2.07550 1.76408 2.03452 1.89399 1.87134 2.83223 1.91029 1.86587 1.83449 2.79666 1.61089 2.11894 1.71219 2.16650 1.93078 1.86892 1.83811 2.25836 1.83619 2.76126 2.97764 3.03231 2.92071 2.94472 3.03322 3.04343 3.12187 3.13288 3.09022 2.96767 3.00956 2.96524 3.20761 2.98574 3.29573 3.11672 3.24045 3.33923 3.03074 3.30802 2.93835 3.39209 3.30530 3.00317 2.94328 3.02236 1.29451 -2.77712 -0.61622 -0.19277 1.73783 -2.56056 -1.80908 0.12151 2.10631 2.28104 -2.07155 -0.08675 -0.51375 -2.90016 -3.00507 0.89171 1.21963 -1.16678 2.60587 -1.60851 0.47874 -1.20780 2.50418 0.84626 0.81457 -0.87082 -3.03055 -1.13558 0.83937 2.17340 -2.17343 -1.82154 0.11482 -0.13721 1.79915 2.31252 0.24236 -1.47608 -2.65795 -0.59730 1.15272 -1.33657 1.44584 3.11808 0.60800 -2.89277 -1.22054 2.80972 -0.69106 0.98118 1.69385 -2.60622 -0.47553 1.50758 -2.12609 -0.14298 -1.61244 2.55498 2.31031 0.19455 0.58882 -1.52694 -2.44593 1.29677 -0.68337 1.01349 -0.93890 -0.19269 -1.79211 2.21323 1.71196 0.11254 -2.16530 0.84390 -3.11742 -1.09711 0.96141 -1.16057 -1.81072 2.20081 -0.09887 0.14109 -2.13058 1.85293 -0.68960 1.10012 3.13475 -0.42379 1.63505 1.46591 -0.73465 2.30486 -1.78466 0.00414 -1.97028 0.22338 2.01218 2.63836 0.61837 -1.34898 -2.01363 0.06903 2.04425 -2.15627 -0.41144 1.67122 -0.01465 1.95324 2.27772 -2.03758 -1.68913 0.27876 0.10868 2.12564 -1.80231 -2.48702 -0.42286 1.71228 -2.50674 -0.72609 1.33808 -0.22629 1.98508 0.87246 -1.12607 0.39299 2.53016 -1.21856 0.91861 2.56294 -1.58308 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000035 0.000007 0.001634 0.000485 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.266375e-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 1 1 1 1 2 2 3 4 4 4 4 6 6 6 6 8 9 10 10 10 12 12 13 14 14 15 16 17 17 17 19 20 20 23 23 23 25 26 26 26 26 29 29 32 32 35 35 37 38 38 3 39 40 42 10 20 12 5 8 18 40 7 9 11 30 32 14 11 33 42 13 21 35 15 16 20 35 18 19 27 23 21 22 24 25 34 29 27 28 31 41 30 31 33 34 36 37 38 39 41 1.8828 1.7861 0.9762 0.9816 0.977 1.871 0.9761 0.9616 0.9988 1.8993 1.8557 0.9623 1.0008 1.8284 1.83 1.661 1.6401 0.9787 1.8799 1.8115 0.975 1.6549 1.9168 0.9742 0.978 1.9125 1.8279 0.9747 0.975 1.6707 1.8912 0.9995 0.9616 0.9617 0.9992 1.8512 1.6471 0.9969 0.962 1.8645 1.863 0.9758 0.9754 0.975 0.9765 0.9616 0.9993 1.6375 0.9801 0.9743 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 3 3 39 39 40 10 1 5 5 5 8 8 18 7 7 7 9 9 11 2 2 2 11 11 33 3 3 13 12 9 9 15 14 18 18 19 4 17 2 2 2 15 15 21 19 19 19 24 24 25 27 27 27 28 28 31 25 25 30 26 8 8 33 10 13 13 13 16 16 36 37 37 39 1 1 1 1 1 1 1 2 3 4 4 4 4 4 4 6 6 6 6 6 6 10 10 10 10 10 10 12 12 12 13 14 14 14 15 17 17 17 18 19 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 29 29 29 31 32 32 32 33 35 35 35 35 35 35 38 38 38 40 39 40 42 40 42 42 20 12 8 18 40 18 40 40 9 11 30 11 30 30 11 33 42 33 42 42 13 21 21 35 15 16 16 20 19 27 27 17 23 15 21 22 21 22 22 24 25 34 25 34 34 28 31 41 31 41 41 30 31 31 29 33 34 34 32 16 36 37 36 37 37 39 41 41 4 90.4649 136.0197 99.4996 114.1824 109.0827 105.2072 157.0789 154.9958 107.4623 124.1419 126.4961 99.2846 97.2571 96.342 106.4403 122.6328 112.3031 95.6116 125.8066 94.0189 104.8972 135.5943 100.6261 112.656 113.1992 85.911 104.5795 105.578 107.3908 160.8755 106.432 114.3103 105.1349 161.3196 104.6062 118.4991 106.1748 161.6262 160.8458 91.5799 102.3094 127.7724 96.0625 125.8398 107.3784 124.0468 96.6869 91.1077 106.9834 122.5965 112.4047 106.5465 98.1921 107.2351 122.3085 118.8818 101.1181 116.5973 108.5142 107.2126 162.2531 109.4333 106.9234 105.111 160.2455 92.2876 121.406 98.1 124.134 110.617 107.0945 105.3323 129.412 105.2077 158.2091 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 4 6 6 14 12 23 17 6 23 35 1 26 1 4 6 6 14 12 23 17 6 23 35 1 26 8 9 11 16 21 25 27 30 34 37 39 41 42 8 9 11 16 21 25 27 30 34 37 39 41 32 14 10 35 20 29 26 29 32 38 38 38 10 32 14 10 35 20 29 26 29 32 38 38 38 1 1 13 4 4 1 1 1 6 2 6 2 4 1 1 13 4 4 1 1 1 6 2 6 2 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 170.6418 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 173.7345 167.3291 168.7013 173.7926 174.3975 178.9082 179.4714 177.0527 170.001 172.4468 169.897 183.7554 171.0811 188.8315 178.5783 185.6511 191.3454 173.6765 189.518 168.3455 194.3708 189.3686 172.0896 168.6532 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 39 40 42 3 3 3 39 39 39 40 40 40 3 3 40 40 42 42 3 39 42 20 20 20 10 10 10 1 1 5 5 18 18 40 40 5 8 40 5 8 18 7 7 7 9 9 9 30 30 30 7 7 11 11 30 30 7 7 9 9 11 11 2 11 42 3 21 3 3 3 13 13 13 12 12 12 9 16 9 9 9 15 15 15 14 14 14 19 27 18 27 18 18 18 19 19 19 17 17 17 19 19 24 24 34 34 19 19 24 24 25 25 27 28 41 27 27 28 28 31 31 25 30 8 34 13 13 16 16 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 4 4 4 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 10 10 10 12 12 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 14 14 15 15 15 17 17 17 17 17 17 17 17 17 17 19 19 19 23 23 23 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 26 26 26 29 29 32 32 35 35 35 35 35 3 3 3 10 10 10 10 10 10 10 10 10 38 38 38 38 38 38 40 40 40 10 10 10 20 20 20 12 12 32 32 32 32 32 32 18 18 18 40 40 40 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 29 29 29 29 29 29 33 33 33 13 13 20 20 20 20 20 20 35 35 35 15 15 35 35 35 35 35 35 20 20 20 18 18 19 19 26 26 26 26 26 26 23 23 23 29 29 29 29 29 29 32 32 32 32 32 32 31 31 31 38 38 38 38 38 38 31 31 33 33 38 38 38 38 38 12 12 12 2 11 33 2 11 33 2 11 33 37 41 37 41 37 41 4 4 4 11 33 42 15 21 22 13 21 33 34 33 34 33 34 17 17 17 1 1 1 2 33 42 2 33 42 2 33 42 15 16 15 16 15 16 25 31 25 31 25 31 32 32 32 35 35 2 15 22 2 15 22 16 36 37 20 20 13 36 37 13 36 37 2 21 22 4 4 23 23 28 31 41 28 31 41 24 25 34 30 31 30 31 30 31 8 33 8 33 8 33 29 29 29 37 39 37 39 37 39 26 26 10 10 39 41 39 41 39 74.1543 -159.0944 -35.2874 -11.0433 99.5752 -146.7279 -103.6365 6.9819 120.6789 130.7021 -118.6795 -4.9826 -29.4054 -166.1746 -172.1704 51.0604 69.8967 -66.8725 149.2844 -92.1521 27.4156 -69.2287 143.5 48.4592 46.6642 -49.8909 -173.6597 -65.061 48.0879 124.5737 -124.4727 -104.3571 6.5965 -7.8557 103.0979 132.4547 13.8843 -84.5662 -152.2629 -34.1956 66.0458 -76.5641 82.8386 178.6692 34.8568 -165.7405 -69.9099 161.0244 -39.5729 56.2577 97.0709 -149.2889 -27.2407 86.3994 -121.8378 -8.1977 -92.4374 146.339 132.3409 11.1173 33.6957 -87.5278 -140.1092 74.375 -39.0856 58.1141 -53.7398 -11.0423 -102.6771 126.8362 98.0641 6.4293 -124.0575 48.3056 -178.6658 -62.8951 55.0594 -66.5684 -103.7437 126.1051 -5.6674 8.0927 -122.0586 106.1689 -39.474 63.0825 179.6483 -24.3361 93.6366 84.047 -42.0382 132.011 -102.2758 0.2614 -112.934 12.7792 115.3164 151.1183 35.3865 -77.3253 -115.3463 3.9929 117.1194 -123.5415 -23.5463 95.7928 -0.8331 111.9009 130.5507 -116.7153 -96.7535 15.9806 6.3973 121.9584 -103.0758 -142.5216 -24.2093 98.1305 -143.5571 -41.6324 76.6799 -13.1567 113.5723 49.9114 -64.6081 22.486 144.9594 -69.8353 52.6382 146.8201 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 Grimme-D3(BJ) -0.0446988506 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4042,-1.2697,-1.4601;1.4502,-1.6395,1.3904;2.3104,-1.4884,-1.7175;-2.1928,-2.238,-1.4679;-2.5762,-3.0208,-1.8668;.701,1.177,2.3559;.804,1.2486,3.3071;-2.1936,-2.3859,-.4781;1.6112,1.3513,1.9643;.5199,-1.3615,1.3078;.4878,-.4783,1.7279;3.2349,-1.2845,-1.4987;3.2967,-.3189,-1.6027;3.0863,1.35,1.3764;3.3522,.4164,1.4094;3.0811,1.5669,.4227;-3.501,.2695,-1.286;-3.0925,-.5775,-1.5366;-3.6809,.1743,-.3345;3.2954,-1.5044,1.1083;3.3343,-1.4901,.1103;3.9681,-2.1204,1.4029;-3.389,.0591,1.5248;-4.1127,.2206,2.1322;-2.7646,.8387,1.6092;-1.8397,2.2882,-1.2393;-2.4629,1.5118,-1.3384;-2.2536,3.0217,-1.6982;-1.7981,2.114,1.5566;-.8884,1.8824,1.8162;-1.7556,2.3486,.6122;-2.1017,-2.403,1.1366;-1.1712,-2.2162,1.3458;-2.588,-1.6054,1.4142;2.9601,1.5583,-1.3637;3.4584,2.1725,-1.9054;2.012,1.5789,-1.6992;.5711,1.3317,-2.2763;.4292,.3813,-2.0884;-.43,-1.7224,-1.6802;-.2119,1.7821,-1.9134;.413,-1.2331,-.4813; 0.000000 3.058773 0.000000 1.935973 3.228273 0.000000 2.771612 4.668952 4.571992 0.000000 3.480617 5.359979 5.123482 0.958623 0.000000 4.542726 3.070170 5.127150 5.887081 6.796561 0.000000 5.406309 3.525976 5.916727 6.628598 7.511584 0.959433 0.000000 2.993127 4.162426 4.756919 1.000779 1.574183 5.394855 6.043462 0.000000 4.478093 3.049592 4.702002 6.255721 7.164367 1.006153 1.570117 5.865929 0.000000 2.771861 0.974390 3.517757 3.978885 4.734724 2.752351 3.300141 3.406197 2.996922 0.000000 3.285790 1.545478 4.026540 4.527144 5.364185 1.783179 2.361398 3.961729 2.159945 0.978606 0.000000 2.831024 3.414369 0.971634 5.510869 6.076139 5.228546 5.951614 5.632372 4.645009 3.905574 4.313610 0.000000 3.048120 3.756562 1.534145 5.816823 6.470035 4.964495 5.725114 5.973341 4.284159 4.155542 4.359802 0.973084 0.000000 4.701316 3.407899 4.269754 6.988042 7.854103 2.584436 2.991131 6.728581 1.587927 3.734087 3.196609 3.902388 3.421184 0.000000 4.446084 2.800805 3.806697 6.787591 7.595667 2.916084 3.284417 6.493969 2.052562 3.345618 3.017734 3.370991 3.101007 0.971264 0.000000 4.330906 3.725153 3.809091 6.772367 7.635041 3.090998 3.688656 6.652681 2.140905 3.989805 3.551212 3.441749 2.775777 0.978102 1.539719 0.000000 4.201156 5.943183 6.086821 2.834100 3.466799 5.634188 6.370945 3.068025 6.153889 5.055305 5.055000 6.916095 6.830486 7.186737 7.365693 6.922911 0.000000 3.565316 5.507315 5.482158 1.889878 2.519057 5.711381 6.479086 2.280037 6.172635 4.664193 4.846085 6.366850 6.394751 7.097754 7.155435 6.822715 0.973131 0.000000 4.476598 5.709020 6.369749 3.052612 3.711760 5.238765 5.876226 2.964282 5.888709 4.764757 4.696494 7.163220 7.109068 7.078492 7.250138 6.945285 0.973067 1.535061 0.000000 3.874364 1.871491 2.992552 6.106915 6.754707 3.934149 4.315222 5.781233 3.424083 2.786267 3.052773 2.616940 2.958834 2.874578 1.945106 3.154201 7.420925 6.975593 7.319020 0.000000 3.331772 2.282750 2.095052 5.796469 6.417696 4.369323 4.911522 5.630914 3.805288 3.061299 3.426847 1.625133 2.075423 3.119401 2.307093 3.083348 7.194999 6.696946 7.223707 0.998844 0.000000 4.649913 2.563416 3.589413 6.797866 7.370838 4.738637 4.998747 6.447873 4.233475 3.531920 3.861922 3.107326 3.567815 3.580693 2.610445 3.917067 8.290267 7.802049 8.172550 0.958481 1.571493 0.000000 5.006350 5.130378 6.737293 3.957808 4.652946 4.320664 4.708795 3.379133 5.183173 4.164725 3.919099 7.404236 7.390723 6.604400 6.751646 6.734214 2.820939 3.140915 1.885609 6.877406 7.043028 7.674051 0.000000 5.960487 5.912338 7.680982 4.763556 5.372102 4.912860 5.158627 4.158122 5.836974 4.964265 4.670795 8.332797 8.315017 7.326165 7.502376 7.515651 3.472828 3.890681 2.504578 7.674860 7.903987 8.444559 0.958484 0.000000 4.889474 4.894245 6.499124 4.388805 5.197491 3.561243 3.973186 3.883363 4.420089 3.964851 3.510918 7.082438 6.956720 5.877867 6.134652 6.009172 3.041135 3.465364 2.249189 6.516483 6.698316 7.357140 1.002330 1.572522 0.000000 4.212149 5.758919 5.631626 4.545741 5.396505 4.540449 5.360976 4.748873 4.801059 5.037500 4.677030 6.211498 5.771641 5.655806 6.121701 5.243701 2.614864 3.141646 2.945776 6.801779 6.547362 7.755437 3.874251 4.561643 3.327270 0.000000 3.996430 5.717401 5.650639 3.761797 4.564770 4.875450 5.685291 4.000575 5.247107 4.914843 4.697722 6.348971 6.049321 6.179808 6.524214 5.817181 1.619857 2.191076 2.068940 6.945592 6.687158 7.878085 3.341575 4.053882 3.038489 1.000473 0.000000 5.053297 6.706931 6.416495 5.265080 6.053462 5.344900 6.127435 5.543789 5.580398 5.995059 5.612673 6.978950 6.478756 6.384533 6.918753 5.922223 3.049686 3.699138 3.464770 7.691060 7.406184 8.646717 4.522581 5.096461 3.995664 0.959057 1.566165 0.000000 5.039784 4.966623 6.370012 5.314419 6.220227 2.786111 3.253364 4.954282 3.517347 4.185025 3.460396 6.798180 6.469708 4.947125 5.424888 5.038986 3.792401 4.299611 3.298995 6.263980 6.436102 7.155564 2.598914 3.045242 1.601032 2.801617 3.030708 3.409493 0.000000 4.726533 4.248958 5.837949 5.428109 6.360407 1.820719 2.342828 5.018511 2.559719 3.572799 2.733917 6.165930 5.835175 4.034253 4.505252 4.218739 4.364730 4.706348 3.916778 5.429132 5.667035 6.306977 3.108424 3.641113 2.156966 3.225774 3.545062 3.938550 0.973982 0.000000 4.695847 5.175622 6.056641 5.055223 5.970765 3.232315 3.876072 4.878115 3.762752 4.407604 3.777358 6.523801 6.127570 5.002534 5.518916 4.903065 3.312506 3.868658 3.054653 6.372127 6.394925 7.304579 2.956812 3.520617 2.071728 1.854437 2.237262 2.457424 0.973983 1.555259 0.000000 3.782435 3.641880 5.333816 2.611342 3.102837 4.707199 5.146685 1.617444 5.344686 2.826098 3.280175 6.056015 6.402338 6.407630 6.145594 6.567383 3.869003 3.385271 3.361579 5.471429 5.606902 6.082169 2.805276 3.452278 3.342300 5.265071 4.645614 6.122565 4.546564 4.505359 4.792940 0.000000 3.354223 2.684408 4.694173 2.993541 3.597607 4.004825 4.444406 2.097861 4.566309 1.895152 2.432774 5.326607 5.679357 5.553778 5.234045 5.765853 4.305025 3.832104 3.851819 4.529109 4.727928 5.140426 3.182396 3.899840 3.455504 5.236355 4.771946 6.154061 4.380365 4.135142 4.660139 0.971894 0.000000 4.162590 4.038392 5.815129 2.977039 3.573296 4.409739 4.820206 2.084553 5.165108 3.119282 3.290782 6.518723 6.736916 6.397928 6.274837 6.571492 3.411700 3.165118 2.723864 5.892166 6.065266 6.576251 1.850509 2.484848 2.458184 4.770861 4.160436 5.586425 3.804977 3.900634 4.119484 0.974485 1.544384 0.000000 3.813106 4.482247 3.135261 6.401207 7.202290 4.368622 5.153766 6.549979 3.596956 4.649424 4.451716 2.859219 1.922096 2.750922 3.024512 1.790495 6.588900 6.420707 6.861370 3.950123 3.406706 4.711964 7.134604 8.002222 6.490673 4.856598 5.423263 5.425492 5.610494 5.002754 5.173655 6.896784 6.217384 6.964714 0.000000 4.623315 5.424548 3.841279 7.181890 7.961698 5.172325 5.921922 7.400074 4.365861 5.607894 5.389912 3.487983 2.514964 3.403688 3.752700 2.434948 7.241422 7.114204 7.578260 4.756946 4.182479 5.443631 7.944748 8.799587 7.270275 5.341015 5.984902 5.778427 6.294364 5.729580 5.792619 7.816852 7.159841 7.864496 0.958581 0.000000 3.279737 4.496515 3.081869 5.683526 6.499037 4.280660 5.160533 5.907433 3.692358 4.462553 4.277791 3.120034 2.293822 3.265852 3.579195 2.375981 5.681421 5.543638 6.020343 4.362998 3.800223 5.208986 6.471049 7.350911 5.857404 3.943349 4.489881 4.502946 5.040131 4.567456 4.486583 6.389017 5.814381 6.402529 1.005949 1.576990 0.000000 2.731534 4.800550 3.360145 4.586466 5.386850 4.636678 5.588937 4.969704 4.366409 4.483566 4.395050 3.813748 3.256868 4.435003 4.707095 3.693215 4.323364 4.196925 4.815642 5.188522 4.614551 6.082156 5.634803 6.527467 5.144683 2.793276 3.180784 3.342033 4.573453 4.379724 3.845967 5.721907 5.361262 5.676834 2.567413 3.029971 1.571729 0.000000 1.766654 4.150635 2.678144 3.757727 4.544896 4.523191 5.477649 4.138781 4.331622 3.818386 3.912309 3.315784 2.991468 4.472564 4.558490 3.839754 4.012843 3.691325 4.473498 4.689320 4.095901 5.565161 5.266681 6.202257 4.907345 3.083048 3.194483 3.784325 4.609667 4.385778 3.992121 4.955651 4.593691 5.031740 2.883795 3.523904 2.022641 0.979160 0.000000 0.974295 3.601431 2.750697 1.848835 2.515348 5.096620 5.934878 2.235061 5.186200 3.156051 3.742304 3.695449 3.982994 5.580931 5.331502 5.250619 3.681537 2.901725 3.997049 4.658485 4.174955 5.385796 4.711807 5.645446 4.777988 4.273905 3.835266 5.082467 5.202464 5.042691 4.856437 3.345458 3.154333 3.774307 4.728242 5.508219 4.106372 3.268809 2.308745 0.000000 3.146142 5.038296 4.134814 4.503733 5.353528 4.407592 5.345159 4.833143 4.306549 4.560074 4.342526 4.632061 4.101349 4.678468 5.060528 4.043174 3.674233 3.742624 4.136697 5.677382 5.232448 6.610519 4.988409 5.832786 4.451441 1.833119 2.338937 2.398199 3.829763 3.791762 3.013768 5.512609 5.246802 5.309771 3.227073 3.690975 2.243396 0.973484 1.550431 3.518971 0.000000 0.979514 2.178096 2.278962 2.961979 3.748487 3.733796 4.545763 2.850180 3.754458 1.796919 2.335757 3.000130 3.226279 4.155710 3.864499 3.971840 4.269037 3.719100 4.331549 3.302794 2.991712 4.120186 4.488814 5.424517 4.331239 4.248366 4.066895 5.166631 4.499409 4.083882 4.327463 3.210946 2.610465 3.568953 3.880503 4.785410 3.456462 3.134514 2.277977 1.545113 3.395958 0.000000 H28O14 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 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4108,1.5058,1.2083;1.4029,1.4085,-1.6835;2.3171,1.7907,1.3889;-2.2016,2.4259,1.1043;-2.5914,3.259,1.3743;.6851,-1.5397,-2.1512;.7735,-1.7678,-3.0789;-2.2214,2.4063,.1039;1.6046,-1.6336,-1.7536;.4789,1.1355,-1.5379;.4547,.1941,-1.804;3.2411,1.5659,1.1895;3.3209,.6322,1.4519;3.089,-1.5137,-1.2025;3.3386,-.5952,-1.3959;3.1033,-1.5683,-.2261;-3.4703,-.0945,1.3684;-3.072,.7879,1.4663;-3.6676,-.1621,.4179;3.2545,1.348,-1.4183;3.3103,1.5012,-.4329;3.9118,1.9153,-1.8244;-3.4086,-.3552,-1.4398;-4.1395,-.6258,-1.9977;-2.7727,-1.1292,-1.4049;-1.7763,-2.0696,1.6272;-2.4107,-1.2962,1.6073;-2.1702,-2.7217,2.2098;-1.7842,-2.3643,-1.1589;-.8829,-2.1669,-1.4709;-1.722,-2.4373,-.1896;-2.1566,2.1546,-1.4925;-1.2267,1.9484,-1.6855;-2.634,1.3153,-1.6237;3.0119,-1.263,1.5358;3.5294,-1.7712,2.1627;2.07,-1.2404,1.8882;.635,-.9201,2.4436;.474,-.0165,2.1026;-.4271,1.9773,1.3657;-.1463,-1.4355,2.176;.4039,1.3063,.2493; 0.4055275 0.2454967 0.2405217 -19.14077 -19.13878 -19.13720 -19.13666 -19.13639 -19.13319 -19.12972 -19.12374 -19.12357 -19.12216 -19.12142 -19.11961 -19.11903 -19.11096 -1.04230 -1.03721 -1.03382 -1.03152 -1.02832 -1.02589 -1.02094 -1.01494 -1.01065 -1.00933 -1.00687 -1.00358 -0.99922 -0.99351 -0.55902 -0.55727 -0.55551 -0.55443 -0.55320 -0.55078 -0.54476 -0.53959 -0.53689 -0.53571 -0.53253 -0.53112 -0.52842 -0.52548 -0.46097 -0.45423 -0.43772 -0.43540 -0.42947 -0.42331 -0.41003 -0.40813 -0.40068 -0.39549 -0.38495 -0.38118 -0.37574 -0.35941 -0.34028 -0.33903 -0.33733 -0.33612 -0.33458 -0.33198 -0.33145 -0.32538 -0.32264 -0.32153 -0.32086 -0.31971 -0.31873 -0.31273 -0.01205 0.01204 0.02363 0.02499 0.03687 0.03850 0.06421 0.07510 0.08245 0.08859 0.09267 0.09689 0.10030 0.10350 0.10961 0.11361 0.12363 0.13019 0.13620 0.13924 0.14140 0.14573 0.15218 0.16004 0.16381 0.16825 0.17355 0.18046 0.18167 0.18432 0.18778 0.19623 0.19870 0.20360 0.21076 0.21539 0.21910 0.22177 0.22308 0.22567 0.23041 0.23119 0.23780 0.24075 0.24748 0.24910 0.25230 0.25322 0.25965 0.26263 0.26786 0.26913 0.27250 0.27573 0.27785 0.28390 0.28606 0.29023 0.29294 0.29697 0.30096 0.30236 0.30761 0.30950 0.31667 0.32171 0.33701 0.34408 0.34881 0.35841 0.37734 0.38859 0.41007 0.42296 0.43640 0.43978 0.44658 0.45145 0.46146 0.46316 0.46677 0.47831 0.49149 0.51632 0.52194 0.53253 0.53499 0.54563 0.54840 0.55642 0.56179 0.56805 0.57167 0.57419 0.57858 0.59219 0.59428 0.60157 0.60584 0.60718 0.62328 0.63461 0.63580 0.64604 0.65415 0.66201 0.66837 0.67173 0.68268 0.68680 0.70298 0.72369 0.92404 0.93165 0.93742 0.95398 0.95620 0.95727 0.96895 0.97444 0.97726 0.98583 0.99904 1.00609 1.00871 1.01608 1.02577 1.03119 1.03281 1.03864 1.04582 1.05676 1.05934 1.06348 1.06590 1.07101 1.07546 1.07715 1.08044 1.08829 1.09800 1.10081 1.10919 1.10997 1.11324 1.11776 1.12143 1.13788 1.14112 1.14664 1.15274 1.16131 1.16896 1.19565 1.22058 1.22908 1.23291 1.25678 1.27434 1.27955 1.28286 1.28563 1.29900 1.30513 1.31160 1.32124 1.32838 1.33978 1.34675 1.35527 1.35818 1.37403 1.38396 1.38617 1.39671 1.40095 1.41685 1.42109 1.42946 1.43874 1.44906 1.45081 1.46186 1.47079 1.48755 1.48874 1.50322 1.51037 1.51527 1.52141 1.53260 1.54320 1.55809 1.56235 1.57210 1.58580 1.59204 1.59984 1.61133 1.61298 1.62569 1.62984 1.64446 1.66220 1.67234 1.68270 1.69676 1.70345 1.71420 1.71792 1.73928 1.74922 1.75947 1.77173 1.77639 1.79237 1.80576 1.81391 1.81719 1.82427 1.83597 1.84827 1.86391 1.87755 2.01954 2.02544 2.03485 2.03864 2.04144 2.04597 2.18800 2.20232 2.21644 2.23295 2.24850 2.25163 2.26000 2.27887 2.28335 2.29163 2.30277 2.30679 2.32137 2.32562 2.33981 2.39005 2.40653 2.42346 2.44265 2.45043 2.45921 2.47225 2.51109 2.53242 2.53745 2.53964 2.56468 2.57885 2.64255 2.65330 2.65671 2.67233 2.68553 2.69476 2.69665 2.70639 2.72786 2.73048 2.73651 2.74623 2.77480 2.78040 2.79751 2.81126 2.81776 2.84989 2.85804 2.87955 2.88447 2.89799 3.05499 3.05640 3.06607 3.07118 3.08151 3.08400 3.08983 3.10565 3.11296 3.11618 3.12359 3.12978 3.13063 3.13274 3.13867 3.14217 3.14436 3.14962 3.15170 3.16900 3.17081 3.19222 3.19307 3.20056 3.21882 3.22713 3.23982 3.25487 3.29901 3.30163 3.30614 3.30957 3.31704 3.31988 3.33459 3.33942 3.34958 3.35358 3.35905 3.36793 3.37187 3.39899 3.64793 3.65899 3.66763 3.67048 3.68164 3.70059 3.74989 3.75824 3.76188 3.76905 3.77009 3.77768 3.78007 3.79236 3.89345 3.90351 3.90919 3.91335 3.91612 3.92120 3.93193 3.93786 3.94766 3.94872 3.95443 3.96338 3.97492 4.00902 4.99520 4.99761 5.00593 5.01624 5.01833 5.02169 5.02608 5.03138 5.03790 5.04648 5.05496 5.07066 5.09552 5.10492 5.37680 5.38134 5.40581 5.41048 5.41425 5.42280 5.45204 5.46056 5.47232 5.48087 5.49438 5.51607 5.52475 5.56123 5.67100 5.67395 5.67872 5.68431 5.68704 5.68883 5.69685 5.70044 5.70477 5.72268 5.72994 5.74080 5.75712 5.78410 49.88026 49.90040 49.90507 49.91106 49.91398 49.92020 49.92696 49.93014 49.93752 49.94831 49.95143 49.95554 49.96211 49.97306 1-A. -0.1422 -0.3621 -1.2934 1.3506 -88.3485 -91.1224 -89.3436 0.9899 -2.3039 -3.4087 1.2564 -1.5176 0.2612 0.9899 -2.3039 -3.4087 -2.4238 17.7943 -40.0380 -12.3242 0.8257 -24.1083 7.6562 -26.4867 41.1256 -41.6486 -3189.0122 -1463.2569 -1369.6374 54.1517 144.1151 -43.7486 -39.4442 -22.4023 35.4049 -755.6451 -703.1447 -436.1273 -124.9235 -132.5043 18.7728 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3342,-1.1992,-1.3853;1.4557,-1.6218,1.4544;2.1817,-1.3881,-1.6954;-2.202,-2.3454,-1.5069;-2.541,-3.1464,-1.917;.7536,1.248,2.4348;.8473,1.4683,3.3668;-2.204,-2.4907,-.5187;1.6598,1.3596,2.0249;.5249,-1.3314,1.3929;.5012,-.4647,1.847;3.1291,-1.246,-1.5084;3.2621,-.2877,-1.6292;3.1489,1.2332,1.3491;3.3803,.2871,1.3673;3.1856,1.487,.4054;-3.4637,.1916,-1.2995;-3.0787,-.6618,-1.5708;-3.6649,.0803,-.3519;3.293,-1.6048,1.1015;3.318,-1.5724,.1029;3.9531,-2.2443,1.3847;-3.4478,.0246,1.5259;-4.1547,.1965,2.155;-2.8065,.788,1.5917;-1.9437,2.3732,-1.3232;-2.52,1.5652,-1.4167;-2.4058,3.092,-1.7651;-1.7414,2.0373,1.4586;-.8219,1.8584,1.7318;-1.715,2.3238,.5266;-2.0721,-2.3913,1.134;-1.1498,-2.1852,1.3741;-2.5885,-1.6112,1.414;3.0746,1.6079,-1.4151;3.5852,2.2252,-1.9471;2.1217,1.6887,-1.7049;.5724,1.4311,-2.1684;.3946,.4887,-1.966;-.4742,-1.682,-1.6428;-.238,1.9056,-1.9087;.3337,-1.2011,-.4038; 0.000000 3.082220 0.000000 1.882832 3.240760 0.000000 2.785820 4.761448 4.490964 0.000000 3.512990 5.446518 5.044291 0.961641 0.000000 4.556112 3.112855 5.103613 6.097952 7.007407 0.000000 5.473743 3.684576 5.963694 6.898938 7.790697 0.962297 0.000000 2.976800 4.247552 4.672754 0.998761 1.580726 5.607927 6.330999 0.000000 4.464806 3.042315 4.654335 6.412019 7.313665 1.000802 1.572497 6.018628 0.000000 2.787847 0.976991 3.505058 4.107632 4.863065 2.791289 3.440733 3.527765 2.988122 0.000000 3.318875 1.550474 4.028019 4.700222 5.532955 1.828356 2.483233 4.125396 2.168489 0.978685 0.000000 2.797997 3.423375 0.976062 5.443269 5.994047 5.235670 6.028470 5.565128 4.629550 3.899564 4.333021 0.000000 3.076186 3.814576 1.543543 5.839984 6.475434 5.016647 5.820223 5.997045 4.316640 4.208832 4.442706 0.975039 0.000000 4.616959 3.320951 4.132280 7.042369 7.888190 2.629848 3.069803 6.783041 1.640119 3.669369 3.184532 3.783217 3.346092 0.000000 4.366291 2.712069 3.690871 6.808281 7.591925 2.993776 3.436558 6.515947 2.131449 3.282295 3.014117 3.268488 3.053342 0.974218 0.000000 4.307299 3.709100 3.699633 6.882587 7.723727 3.176482 3.773359 6.761933 2.228711 3.999723 3.618518 3.336994 2.700911 0.977996 1.550194 0.000000 4.045523 5.922240 5.875659 2.840999 3.517789 5.731228 6.479932 3.064477 6.218252 5.047515 5.104051 6.751018 6.750971 7.199094 7.345880 6.985570 0.000000 3.460011 5.534879 5.311838 1.899303 2.565594 5.863411 6.658211 2.284070 6.282475 4.713627 4.953388 6.235618 6.352164 7.134476 7.159089 6.911203 0.974724 0.000000 4.324160 5.690425 6.176117 3.059129 3.758251 5.352848 6.009651 2.961809 5.969826 4.753109 4.742224 7.018248 7.053419 7.116938 7.254937 7.034327 0.975017 1.542746 0.000000 3.886330 1.870954 3.017411 6.127596 6.747154 4.045370 4.534015 5.798907 3.508272 2.796808 3.106433 2.639608 3.031943 2.852482 1.912468 3.171116 7.392295 6.973569 7.305181 0.000000 3.355103 2.301464 2.135140 5.801589 6.394117 4.468613 5.099354 5.632177 3.878202 3.085957 3.493267 1.654864 2.157271 3.074638 2.249497 3.077253 7.146312 6.674468 7.190211 0.999474 0.000000 4.675649 2.574751 3.654855 6.801242 7.340918 4.851337 5.230473 6.449339 4.319365 3.547678 3.911041 3.169506 3.659139 3.569438 2.595378 3.933307 8.255187 7.790179 8.151960 0.961647 1.580462 0.000000 4.927182 5.173051 6.638110 4.045596 4.767728 4.469370 4.890962 3.471936 5.302781 4.199890 3.992147 7.353792 7.421313 6.708871 6.835069 6.884539 2.830391 3.193331 1.891214 6.947985 7.095872 7.742206 0.000000 5.884905 5.939143 7.581967 4.866585 5.510012 5.027457 5.301470 4.263221 5.931093 4.981339 4.712642 8.279806 8.340454 7.420648 7.576610 7.655451 3.522904 3.971930 2.556983 7.734522 7.948600 8.502164 0.961710 0.000000 4.761900 4.898209 6.357874 4.447960 5.278301 3.687450 4.118810 3.945425 4.523577 3.953439 3.546182 6.998550 6.954092 5.976964 6.211172 6.148289 3.024276 3.489598 2.239456 6.570424 6.730321 7.411487 0.999193 1.576274 0.000000 4.237375 5.935565 5.595116 4.729266 5.583526 4.760679 5.532182 4.936866 5.022214 5.214904 4.907285 6.234346 5.854468 5.863058 6.319496 5.484779 2.659089 3.249780 3.027101 7.009132 6.729577 7.964090 3.987022 4.660950 3.428406 0.000000 3.973580 5.848581 5.559261 3.924508 4.738098 5.064705 5.850684 4.166077 5.418288 5.055212 4.888721 6.310595 6.075429 6.316343 6.648144 5.989950 1.670694 2.301159 2.156254 7.083911 6.799655 8.016294 3.448739 4.159670 3.120357 0.996903 0.000000 5.105555 6.891741 6.412624 5.447313 6.241680 5.569704 6.289384 5.723658 5.821951 6.174810 5.843642 7.037060 6.600496 6.633903 7.152570 6.208939 3.122223 3.818543 3.557005 7.921816 7.616315 8.878824 4.617997 5.177793 4.091087 0.962007 1.570198 0.000000 4.782354 4.859047 6.088650 5.311643 6.237311 2.793080 3.266019 4.962453 3.514052 4.060597 3.382343 6.580691 6.322596 4.957199 5.413338 5.068290 3.738928 4.272061 3.287434 6.224018 6.361233 7.124955 2.639566 3.114008 1.647080 2.809259 3.016006 3.456292 0.000000 4.516921 4.168487 5.595317 5.483243 6.427878 1.830037 2.368902 5.088221 2.548271 3.479037 2.675991 5.978938 5.708030 4.037895 4.501225 4.237626 4.352757 4.727843 3.947969 5.415191 5.618076 6.305034 3.209513 3.748102 2.259260 3.294949 3.589282 4.032275 0.975812 0.000000 4.501829 5.146066 5.822363 5.115988 6.047832 3.300444 3.919784 4.950856 3.816333 4.373582 3.798823 6.352227 6.019899 5.052106 5.551391 4.973018 3.307373 3.895192 3.099506 6.391061 6.378965 7.330191 3.047610 3.623403 2.164399 1.864482 2.236026 2.513777 0.975417 1.570659 0.000000 3.682196 3.624940 5.206426 2.644520 3.177894 4.787636 5.329604 1.661023 5.365639 2.816879 3.292654 5.945311 6.365081 6.359398 6.079221 6.573860 3.811844 3.364691 3.294616 5.422542 5.548525 6.032198 2.807637 3.475113 3.294955 5.362429 4.728743 6.211537 4.452753 4.469970 4.767491 0.000000 3.284605 2.666990 4.599565 3.071227 3.700059 4.066346 4.615995 2.187981 4.569804 1.879918 2.430910 5.244052 5.664373 5.492260 5.160856 5.763617 4.260370 3.835853 3.799633 4.488891 4.685333 5.103313 3.191668 3.912950 3.410491 5.355780 4.871423 6.267386 4.264502 4.072605 4.622601 0.974998 0.000000 4.067964 4.044408 5.698511 3.036475 3.668099 4.515189 5.010122 2.157995 5.219858 3.126006 3.323817 6.431564 6.726242 6.404086 6.263575 6.629962 3.373339 3.170393 2.671873 5.889802 6.050319 6.572212 1.851177 2.503977 2.415624 4.876911 4.255301 5.679844 3.745789 3.906434 4.127352 0.976530 1.549402 0.000000 3.923027 4.613565 3.138717 6.593830 7.374926 4.509753 5.277046 6.742754 3.727858 4.798393 4.643178 2.855960 1.916814 2.790507 3.095084 1.827854 6.690942 6.560403 6.991737 4.086907 3.532425 4.842509 7.327924 8.185318 6.655842 5.077129 5.594700 5.688587 5.624616 5.014840 5.217556 6.998545 6.325509 7.101879 0.000000 4.755066 5.559057 3.884428 7.387471 8.147667 5.307812 6.025468 7.602209 4.498085 5.759276 5.580427 3.528431 2.553428 3.469765 3.844862 2.497687 7.364898 7.272115 7.727112 4.903928 4.323867 5.586796 8.146622 8.991506 7.445920 5.565900 6.163545 6.056105 6.325041 5.752479 5.849822 7.925247 7.273310 8.008038 0.961640 0.000000 3.411334 4.624242 3.077389 5.916674 6.720389 4.382106 5.234057 6.130707 3.772704 4.611584 4.458600 3.109054 2.283079 3.254207 3.603750 2.371888 5.796779 5.708519 6.156469 4.482822 3.915907 5.326186 6.650367 7.517855 5.997168 4.140246 4.652228 4.740395 5.005280 4.528230 4.483662 6.503369 5.932082 6.542395 0.999257 1.577401 0.000000 2.754762 4.819211 3.280533 4.732511 5.541656 4.610371 5.542172 5.080359 4.332604 4.507349 4.440988 3.760308 3.237280 4.364703 4.657724 3.668279 4.310635 4.250641 4.804022 5.226062 4.660320 6.128850 5.638128 6.523859 5.095928 2.816458 3.185186 3.433759 4.344625 4.163930 3.645777 5.701777 5.347186 5.663976 2.619107 3.123524 1.637541 0.000000 1.786089 4.156845 2.605713 3.871065 4.672703 4.480244 5.440951 4.209996 4.276319 3.822560 3.931838 3.270584 2.989854 4.373883 4.479543 3.796039 3.926715 3.680188 4.387651 4.711080 4.132217 5.600027 5.212810 6.145225 4.795173 3.071162 3.155141 3.828769 4.322988 4.126751 3.745771 4.897913 4.548743 4.973256 2.956076 3.632550 2.119195 0.980134 0.000000 0.976219 3.649734 2.672697 1.855685 2.547754 5.169077 6.063588 2.215702 5.220884 3.215003 3.822480 3.632128 3.988078 5.529664 5.272125 5.256634 3.544773 2.798138 3.866868 4.661493 4.176130 5.392896 4.668561 5.612263 4.690628 4.325134 3.844544 5.151441 5.005717 4.903439 4.721471 3.281280 3.132204 3.717396 4.844519 5.642487 4.254938 3.326189 2.360431 0.000000 3.200208 5.159549 4.092566 4.699953 5.552163 4.503470 5.403707 5.012411 4.401465 4.686166 4.502177 4.629328 4.140002 4.747254 5.142348 4.153421 3.703286 3.843880 4.183142 5.818324 5.365457 6.755254 5.063383 5.896999 4.483154 1.863015 2.359071 2.475398 3.689960 3.687332 2.878671 5.575434 5.323718 5.378957 3.362353 3.836682 2.378383 0.974305 1.552719 3.605236 0.000000 0.981566 2.211011 2.262422 2.992632 3.786550 3.772509 4.648301 2.848863 3.770172 1.811455 2.374014 3.006134 3.303291 4.113859 3.825337 4.001758 4.142723 3.646583 4.199227 3.344663 3.049676 4.169811 4.418798 5.352165 4.218871 4.336772 4.101413 5.271493 4.273312 3.905985 4.181804 3.093400 2.515911 3.465766 4.052843 4.969225 3.638788 3.177965 2.302155 1.555371 3.499010 0.000000 H28O14 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 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3001,.9889,1.5442;1.4062,1.8746,-1.1929;2.1408,1.1864,1.8875;-2.2712,2.0227,1.8279;-2.6354,2.7407,2.3539;.7953,-.8328,-2.6024;.8954,-.9053,-3.5567;-2.2783,2.3168,.8735;1.7047,-.977,-2.2103;.4851,1.5491,-1.1805;.4887,.7615,-1.7615;3.0921,1.1045,1.6853;3.2556,.1436,1.6591;3.1893,-.9082,-1.5167;3.3906,.0364,-1.3893;3.2345,-1.3017,-.6224;-3.4518,-.4914,1.2308;-3.094,.3223,1.6307;-3.6569,-.2434,.3104;3.2433,1.862,-.8388;3.2697,1.6785,.1433;3.8826,2.5576,-1.0183;-3.4426,.1048,-1.5361;-4.1439,.0086,-2.1871;-2.7773,-.619,-1.7146;-1.8631,-2.6022,.9284;-2.4648,-1.8364,1.1415;-2.302,-3.3941,1.2536;-1.673,-1.8398,-1.7688;-.7597,-1.5926,-2.0076;-1.637,-2.2642,-.8912;-2.1441,2.4748,-.7745;-1.2159,2.3368,-1.0391;-2.6356,1.7307,-1.1724;3.1283,-1.7021,1.1578;3.6585,-2.377,1.5917;2.1786,-1.8562,1.4278;.6221,-1.7212,1.9183;.4143,-.7651,1.8611;-.5232,1.4012,1.8687;-.1729,-2.1758,1.5857;.299,1.1404,.5744; 0.4001415 0.2435266 0.2374567 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 489 487 488 488 489 MxSgAt= 42 MxSgA2= 42. 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. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 2.29D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 490 489 489 490 490 MxSgAt= 42 MxSgA2= 42. 1 -5.59618948e-02 -1.42447846e-01 -5.08849629e-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 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 0.002696938 0.000602373 -0.001954142 0.002167013 -0.000257277 0.000938709 -0.003069274 -0.000548315 -0.001517054 0.000951628 0.002948854 -0.001396393 -0.001370540 -0.002663171 -0.001685159 -0.002450121 -0.000347713 -0.001510664 0.000286758 0.000878123 0.003367454 -0.000631847 -0.001619255 0.000632998 -0.000201537 0.000527499 0.001046168 -0.002361025 -0.001619251 -0.002038962 -0.000006311 0.001601942 0.001403313 0.001111460 -0.000714202 0.000589826 0.000225551 0.002997942 -0.000916436 0.000201108 0.001120962 0.000552204 0.001165179 -0.003005938 0.000118186 0.000785394 0.000548588 -0.002106286 0.000190646 0.001153145 -0.001068732 0.000503594 -0.002989679 -0.001129951 -0.000962099 -0.001159618 0.002754225 -0.002331772 0.002404848 0.001837611 0.001289846 -0.001161439 -0.001129418 0.002335782 -0.002139147 0.001377167 0.000265479 -0.002708693 -0.002666434 -0.002608763 0.000326596 0.002501418 -0.000481839 0.000774065 0.001164196 0.002325888 -0.000181571 0.002185398 -0.000972058 0.000442533 -0.001007782 -0.001326976 0.002771473 -0.001800613 -0.000981870 -0.000034491 0.000750509 0.003033743 0.000148662 0.000635697 0.000810648 0.001301489 -0.002618691 -0.000795592 -0.001203516 -0.000893657 0.003075836 0.000653968 0.001522064 -0.001112206 0.002097784 0.001503149 0.001270654 -0.002436243 0.002112265 0.001849509 0.002339441 -0.001764281 0.000308563 0.001007896 -0.000954559 0.000927613 0.000836338 -0.001097566 -0.000884297 -0.002037949 0.000307598 -0.001982062 -0.000884052 -0.000751354 -0.002604443 0.001032486 0.000247653 -0.000644201 -0.000805488 0.002460327 0.003367454 0.001618855 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1070.69618597914 -1070.69618734567 -0.000001366525 -1070.69618733685 0.000000008819 -1070.69618737147 -0.000000034619 -1070.69618737234 -0.000000000877 -1070.69618737240 -0.000000000055 -1070.69618737 6 1.067239733691e+03 -5.109822003394e+03 1.683428813711e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT18310.200S Tue Nov 5 01:43:20 2024 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 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.815807 0.384128 0.331984 -0.782120 0.304741 -0.803671 0.285422 0.421864 0.447861 -0.780212 0.405967 -0.602334 0.320686 -0.650518 0.322843 0.390561 -0.656878 0.368767 0.341165 -0.785834 0.424082 0.308606 -0.780955 0.297306 0.429517 -0.764760 0.428165 0.289081 -0.695801 0.392629 0.356307 -0.637063 0.349561 0.349787 -0.789176 0.301184 0.432865 -0.712666 0.365347 0.407005 0.398810 0.401555 -0.00000 -19.14106 -19.13992 -19.13788 -19.13736 -19.13714 -19.13557 -19.13013 -19.12372 -19.11900 -19.11830 -19.11779 -19.11619 -19.11600 -19.10797 -1.03877 -1.03358 -1.03098 -1.02877 -1.02646 -1.02458 -1.01889 -1.01226 -1.00563 -1.00452 -1.00260 -0.99994 -0.99637 -0.99091 -0.55927 -0.55703 -0.55582 -0.55393 -0.55333 -0.55069 -0.54262 -0.53781 -0.53374 -0.53196 -0.52954 -0.52692 -0.52485 -0.52114 -0.45794 -0.45051 -0.43405 -0.43147 -0.42544 -0.42005 -0.40711 -0.40483 -0.39669 -0.39228 -0.38167 -0.37886 -0.37280 -0.35760 -0.33930 -0.33849 -0.33611 -0.33515 -0.33447 -0.33161 -0.33084 -0.32454 -0.31956 -0.31867 -0.31677 -0.31578 -0.31516 -0.30902 -0.01065 0.01244 0.02385 0.02478 0.03585 0.03739 0.06447 0.07528 0.08258 0.08883 0.09219 0.09724 0.10009 0.10463 0.11345 0.11404 0.12570 0.12911 0.13590 0.14148 0.14384 0.14830 0.15392 0.16108 0.16660 0.16732 0.17346 0.17822 0.17976 0.18311 0.18880 0.19441 0.19914 0.20146 0.21087 0.21660 0.22093 0.22166 0.22374 0.22654 0.22975 0.23222 0.23520 0.24124 0.24752 0.24874 0.25324 0.25541 0.26096 0.26380 0.26519 0.26942 0.27121 0.27243 0.27403 0.28004 0.28446 0.28651 0.28893 0.29176 0.29837 0.29968 0.30355 0.30589 0.31367 0.31796 0.33239 0.33886 0.34154 0.35483 0.36376 0.38569 0.40860 0.42483 0.42949 0.43498 0.44467 0.44927 0.45952 0.45958 0.46509 0.47300 0.48984 0.51960 0.52707 0.53052 0.53746 0.54862 0.55009 0.55672 0.56376 0.56666 0.57410 0.57925 0.58048 0.59131 0.59407 0.60429 0.61136 0.61269 0.61967 0.63440 0.63936 0.64200 0.65801 0.66232 0.67196 0.67470 0.67940 0.68772 0.70915 0.71211 0.92877 0.93402 0.94081 0.94856 0.95817 0.96114 0.97021 0.97382 0.98329 0.98565 0.99841 1.00851 1.01166 1.01532 1.02216 1.02916 1.03373 1.03677 1.04494 1.05001 1.05718 1.05885 1.06469 1.06721 1.06824 1.07198 1.07850 1.08446 1.09297 1.09565 1.10314 1.10980 1.11291 1.11644 1.12596 1.13670 1.13895 1.14265 1.15084 1.16054 1.16881 1.19459 1.22892 1.24070 1.24737 1.26386 1.27680 1.28139 1.28592 1.29586 1.29889 1.30968 1.31952 1.32396 1.33645 1.34701 1.34976 1.35690 1.36344 1.37209 1.38049 1.38384 1.39254 1.40262 1.41271 1.41771 1.42489 1.43573 1.44738 1.45433 1.46038 1.47303 1.48438 1.48723 1.49667 1.50416 1.50815 1.51221 1.53217 1.54011 1.55222 1.55636 1.56777 1.57714 1.58688 1.59856 1.61003 1.61981 1.62280 1.62883 1.63565 1.65597 1.66631 1.68048 1.69706 1.71136 1.71776 1.72405 1.74545 1.74899 1.75318 1.77104 1.77438 1.78621 1.80070 1.81700 1.82249 1.83061 1.83802 1.85095 1.87049 1.87870 2.01817 2.02542 2.03131 2.03669 2.03767 2.04299 2.17557 2.18948 2.20404 2.21990 2.23149 2.23713 2.26268 2.28161 2.29242 2.29870 2.31072 2.31851 2.32982 2.33708 2.34203 2.35777 2.37340 2.38419 2.40584 2.41448 2.41836 2.44059 2.50378 2.51446 2.51542 2.51973 2.52818 2.53777 2.60540 2.62343 2.63179 2.64919 2.66785 2.67818 2.68564 2.69286 2.71105 2.72324 2.73018 2.73218 2.75487 2.76272 2.78169 2.79322 2.81895 2.84421 2.84901 2.86949 2.87463 2.88910 3.05662 3.05950 3.06905 3.07706 3.08173 3.08573 3.09335 3.11117 3.11257 3.11956 3.12636 3.13238 3.13521 3.13828 3.14226 3.14394 3.14459 3.14817 3.15408 3.17250 3.17639 3.18907 3.19614 3.20389 3.21474 3.22973 3.23124 3.23908 3.29511 3.29820 3.30268 3.30521 3.31536 3.31891 3.33155 3.33361 3.34511 3.34966 3.35601 3.36163 3.36775 3.39328 3.65696 3.66840 3.68154 3.68702 3.69854 3.71559 3.74086 3.74995 3.75279 3.75599 3.75901 3.77037 3.77244 3.78330 3.89010 3.90225 3.90247 3.90843 3.91287 3.91848 3.92276 3.93199 3.94087 3.94267 3.94768 3.95353 3.97151 3.99357 4.99527 4.99834 5.00677 5.01027 5.01456 5.01969 5.02403 5.03268 5.03518 5.03854 5.04856 5.05766 5.09304 5.11120 5.36992 5.38588 5.39549 5.39913 5.40668 5.42138 5.43631 5.45567 5.46650 5.47038 5.49136 5.50731 5.51242 5.56053 5.65424 5.65566 5.65778 5.66241 5.67016 5.67307 5.67578 5.68256 5.69087 5.72318 5.73174 5.73894 5.75872 5.78634 49.87646 49.89713 49.89947 49.90546 49.91209 49.91482 49.92247 49.92784 49.93707 49.94361 49.94984 49.95241 49.96006 49.96675 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 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.806157 0.387824 0.336756 -0.769544 0.311459 -0.776703 0.290212 0.407085 0.432917 -0.766529 0.380149 -0.625088 0.331534 -0.667338 0.328404 0.393227 -0.659685 0.364855 0.342319 -0.773673 0.414269 0.314433 -0.766277 0.302886 0.416805 -0.753987 0.413449 0.292134 -0.712489 0.393966 0.368827 -0.649936 0.352287 0.352251 -0.768756 0.306715 0.412807 -0.718505 0.360507 0.408631 0.398807 0.399153 -0.00000 -5.65586822e-02 -7.77007671e-02 -5.31860292e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.1438 -0.1975 -1.3519 1.3737 -86.7497 -86.1972 -89.8413 1.8611 -1.4404 -2.1067 0.8464 1.3989 -2.2452 1.8611 -1.4404 -2.1067 0.0430 -25.4968 -48.0400 14.4480 6.0440 -18.0318 -21.4133 8.3881 42.4935 -39.4311 -3194.8517 -1399.6394 -1295.1429 21.0587 185.8090 90.7287 -34.9200 -43.4658 52.0468 -643.9306 -765.7162 -480.9989 -107.9971 -120.5023 -67.3136 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1070.6961874 7.987E-9 1.712E-5 0.7069252,0.4285489,-1.1354741,-1.198689,1.3283339,-1.8598179 C01 [X(H28O14)] -0.0613062 0.1560146 0.5138216 0.000031320 0.000008700 0.000017863 -0.000008553 -0.000004862 -0.000008780 -0.000015694 -0.000005279 -0.000005626 -0.000024276 -0.000008046 0.000022122 0.000013447 0.000010953 -0.000007632 0.000001407 0.000004868 0.000012107 0.000003000 -0.000014206 -0.000005229 -0.000001547 0.000004272 0.000007180 -0.000009716 0.000010154 -0.000015392 0.000003579 0.000037435 -0.000016658 0.000002649 -0.000003515 0.000014755 -0.000014477 0.000003464 0.000058665 0.000010436 0.000006288 -0.000008359 0.000008977 -0.000009569 -0.000021386 0.000001519 0.000012609 0.000030351 -0.000016510 -0.000006615 0.000017806 0.000000529 -0.000026686 -0.000004890 0.000003181 0.000000743 0.000000648 0.000021641 0.000033609 0.000006159 0.000037192 -0.000007052 0.000013567 -0.000015465 0.000004866 -0.000048804 -0.000014106 0.000000382 -0.000000645 0.000003585 -0.000002225 0.000019074 -0.000000257 -0.000004048 -0.000016799 0.000003554 -0.000009939 -0.000001800 -0.000001643 -0.000008970 -0.000040753 -0.000010891 0.000005748 0.000010761 0.000002614 0.000004181 0.000026756 -0.000020618 0.000045634 -0.000000733 0.000003798 -0.000016457 0.000000232 0.000027051 -0.000042869 -0.000021477 0.000007248 0.000017449 -0.000030570 0.000003911 -0.000017325 -0.000003169 0.000002237 0.000001606 0.000000656 0.000000362 -0.000005237 -0.000017464 -0.000013917 0.000004951 0.000002770 0.000021133 0.000005057 0.000010797 -0.000014124 -0.000029485 -0.000018875 -0.000014287 0.000003346 -0.000013319 -0.000001979 0.000004118 -0.000023681 -0.000006333 0.000019913 0.000029997 -0.000009980 -0.000027960 0.000029777 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3342,-1.1992,-1.3853;1.4557,-1.6218,1.4544;2.1817,-1.3881,-1.6954;-2.202,-2.3454,-1.5069;-2.541,-3.1464,-1.917;.7536,1.248,2.4348;.8473,1.4683,3.3668;-2.204,-2.4907,-.5187;1.6598,1.3596,2.0249;.5249,-1.3314,1.3929;.5012,-.4647,1.847;3.1291,-1.246,-1.5084;3.2621,-.2877,-1.6292;3.1489,1.2332,1.3491;3.3803,.2871,1.3673;3.1856,1.487,.4054;-3.4637,.1916,-1.2995;-3.0787,-.6618,-1.5708;-3.6649,.0803,-.3519;3.293,-1.6048,1.1015;3.318,-1.5724,.1029;3.9531,-2.2443,1.3847;-3.4478,.0246,1.5259;-4.1547,.1965,2.155;-2.8065,.788,1.5917;-1.9437,2.3732,-1.3232;-2.52,1.5652,-1.4167;-2.4058,3.092,-1.7651;-1.7414,2.0373,1.4586;-.8219,1.8584,1.7318;-1.715,2.3238,.5266;-2.0721,-2.3913,1.134;-1.1498,-2.1852,1.3741;-2.5885,-1.6112,1.414;3.0746,1.6079,-1.4151;3.5852,2.2252,-1.9471;2.1217,1.6887,-1.7049;.5724,1.4311,-2.1684;.3946,.4887,-1.966;-.4742,-1.682,-1.6428;-.238,1.9056,-1.9087;.3337,-1.2011,-.4038; Gaussian 16 GINC-GARGANTA LAMSABHI Optimization 14H2O CONF15 gas EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3342,-1.1992,-1.3853;1.4557,-1.6218,1.4544;2.1817,-1.3881,-1.6954;-2.202,-2.3454,-1.5069;-2.541,-3.1464,-1.917;.7536,1.248,2.4348;.8473,1.4683,3.3668;-2.204,-2.4907,-.5187;1.6598,1.3596,2.0249;.5249,-1.3314,1.3929;.5012,-.4647,1.847;3.1291,-1.246,-1.5084;3.2621,-.2877,-1.6292;3.1489,1.2332,1.3491;3.3803,.2871,1.3673;3.1856,1.487,.4054;-3.4637,.1916,-1.2995;-3.0787,-.6618,-1.5708;-3.6649,.0803,-.3519;3.293,-1.6048,1.1015;3.318,-1.5724,.1029;3.9531,-2.2443,1.3847;-3.4478,.0246,1.5259;-4.1547,.1965,2.155;-2.8065,.788,1.5917;-1.9437,2.3732,-1.3232;-2.52,1.5652,-1.4167;-2.4058,3.092,-1.7651;-1.7414,2.0373,1.4586;-.8219,1.8584,1.7318;-1.715,2.3238,.5266;-2.0721,-2.3913,1.134;-1.1498,-2.1852,1.3741;-2.5885,-1.6112,1.414;3.0746,1.6079,-1.4151;3.5852,2.2252,-1.9471;2.1217,1.6887,-1.7049;.5724,1.4311,-2.1684;.3946,.4887,-1.966;-.4742,-1.682,-1.6428;-.238,1.9056,-1.9087;.3337,-1.2011,-.4038; Optimization 14H2O CONF15 gas Redundant internal coordinates found in file. (old form). 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 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/lamsabhi/diver/BF3-H2O/14H2O/gas/CONF15/opt-b3lyp.chk" 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 1 1 1 1 2 2 3 4 4 4 4 6 6 6 6 8 9 10 10 10 12 12 13 14 14 15 16 17 17 17 19 20 20 23 23 23 25 26 26 26 26 29 29 32 32 35 35 37 38 38 3 39 40 42 10 20 12 5 8 18 40 7 9 11 30 32 14 11 33 42 13 21 35 15 16 20 35 18 19 27 23 21 22 24 25 34 29 27 28 31 41 30 31 33 34 36 37 38 39 41 1.8828 1.7861 0.9762 0.9816 0.977 1.871 0.9761 0.9616 0.9988 1.8993 1.8557 0.9623 1.0008 1.8284 1.83 1.661 1.6401 0.9787 1.8799 1.8115 0.975 1.6549 1.9168 0.9742 0.978 1.9125 1.8279 0.9747 0.975 1.6707 1.8912 0.9995 0.9616 0.9617 0.9992 1.8512 1.6471 0.9969 0.962 1.8645 1.863 0.9758 0.9754 0.975 0.9765 0.9616 0.9993 1.6375 0.9801 0.9743 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 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 3 3 3 39 39 40 10 1 5 5 5 8 8 18 7 7 7 9 9 11 2 2 2 11 11 33 3 3 13 12 9 9 15 14 18 18 19 4 17 2 2 2 15 15 21 19 19 19 24 24 25 27 27 27 28 28 31 25 25 30 26 8 8 33 10 13 13 13 16 16 36 37 37 39 1 1 1 1 1 1 1 2 3 4 4 4 4 4 4 6 6 6 6 6 6 10 10 10 10 10 10 12 12 12 13 14 14 14 15 17 17 17 18 19 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 29 29 29 31 32 32 32 33 35 35 35 35 35 35 38 38 38 40 39 40 42 40 42 42 20 12 8 18 40 18 40 40 9 11 30 11 30 30 11 33 42 33 42 42 13 21 21 35 15 16 16 20 19 27 27 17 23 15 21 22 21 22 22 24 25 34 25 34 34 28 31 41 31 41 41 30 31 31 29 33 34 34 32 16 36 37 36 37 37 39 41 41 4 90.4649 136.0197 99.4996 114.1824 109.0827 105.2072 157.0789 154.9958 107.4623 124.1419 126.4961 99.2846 97.2571 96.342 106.4403 122.6328 112.3031 95.6116 125.8066 94.0189 104.8972 135.5943 100.6261 112.656 113.1992 85.911 104.5795 105.578 107.3908 160.8755 106.432 114.3103 105.1349 161.3196 104.6062 118.4991 106.1748 161.6262 160.8458 91.5799 102.3094 127.7724 96.0625 125.8398 107.3784 124.0468 96.6869 91.1077 106.9834 122.5965 112.4047 106.5465 98.1921 107.2351 122.3085 118.8818 101.1181 116.5973 108.5142 107.2126 162.2531 109.4333 106.9234 105.111 160.2455 92.2876 121.406 98.1 124.134 110.617 107.0945 105.3323 129.412 105.2077 158.2091 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 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 4 6 6 14 12 23 17 6 23 35 1 26 1 4 6 6 14 12 23 17 6 23 35 1 26 1 8 9 11 16 21 25 27 30 34 37 39 41 42 8 9 11 16 21 25 27 30 34 37 39 41 42 32 14 10 35 20 29 26 29 32 38 38 38 10 32 14 10 35 20 29 26 29 32 38 38 38 10 1 1 13 4 4 1 1 1 6 2 6 2 4 1 1 13 4 4 1 1 1 6 2 6 2 4 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 170.6418 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 173.7345 167.3291 168.7013 173.7926 174.3975 178.9082 179.4714 177.0527 170.001 172.4468 169.897 183.7554 171.0811 188.8315 178.5783 185.6511 191.3454 173.6765 189.518 168.3455 194.3708 189.3686 172.0896 168.6532 173.1671 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 39 40 42 3 3 3 39 39 39 40 40 40 3 3 40 40 42 42 3 39 42 20 20 20 10 10 10 1 1 5 5 18 18 40 40 5 8 40 5 8 18 7 7 7 9 9 9 30 30 30 7 7 11 11 30 30 7 7 9 9 11 11 2 11 42 3 21 3 3 3 13 13 13 12 12 12 9 16 9 9 9 15 15 15 14 14 14 19 27 18 27 18 18 18 19 19 19 17 17 17 19 19 24 24 34 34 19 19 24 24 25 25 27 28 41 27 27 28 28 31 31 25 30 8 34 13 13 16 16 36 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 4 4 4 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 10 10 10 12 12 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 14 14 15 15 15 17 17 17 17 17 17 17 17 17 17 19 19 19 23 23 23 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 26 26 26 29 29 32 32 35 35 35 35 35 35 3 3 3 10 10 10 10 10 10 10 10 10 38 38 38 38 38 38 40 40 40 10 10 10 20 20 20 12 12 32 32 32 32 32 32 18 18 18 40 40 40 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 29 29 29 29 29 29 33 33 33 13 13 20 20 20 20 20 20 35 35 35 15 15 35 35 35 35 35 35 20 20 20 18 18 19 19 26 26 26 26 26 26 23 23 23 29 29 29 29 29 29 32 32 32 32 32 32 31 31 31 38 38 38 38 38 38 31 31 33 33 38 38 38 38 38 38 12 12 12 2 11 33 2 11 33 2 11 33 37 41 37 41 37 41 4 4 4 11 33 42 15 21 22 13 21 33 34 33 34 33 34 17 17 17 1 1 1 2 33 42 2 33 42 2 33 42 15 16 15 16 15 16 25 31 25 31 25 31 32 32 32 35 35 2 15 22 2 15 22 16 36 37 20 20 13 36 37 13 36 37 2 21 22 4 4 23 23 28 31 41 28 31 41 24 25 34 30 31 30 31 30 31 8 33 8 33 8 33 29 29 29 37 39 37 39 37 39 26 26 10 10 39 41 39 41 39 41 74.1543 -159.0944 -35.2874 -11.0433 99.5752 -146.7279 -103.6365 6.9819 120.6789 130.7021 -118.6795 -4.9826 -29.4054 -166.1746 -172.1704 51.0604 69.8967 -66.8725 149.2844 -92.1521 27.4156 -69.2287 143.5 48.4592 46.6642 -49.8909 -173.6597 -65.061 48.0879 124.5737 -124.4727 -104.3571 6.5965 -7.8557 103.0979 132.4547 13.8843 -84.5662 -152.2629 -34.1956 66.0458 -76.5641 82.8386 178.6692 34.8568 -165.7405 -69.9099 161.0244 -39.5729 56.2577 97.0709 -149.2889 -27.2407 86.3994 -121.8378 -8.1977 -92.4374 146.339 132.3409 11.1173 33.6957 -87.5278 -140.1092 74.375 -39.0856 58.1141 -53.7398 -11.0423 -102.6771 126.8362 98.0641 6.4293 -124.0575 48.3056 -178.6658 -62.8951 55.0594 -66.5684 -103.7437 126.1051 -5.6674 8.0927 -122.0586 106.1689 -39.474 63.0825 179.6483 -24.3361 93.6366 84.047 -42.0382 132.011 -102.2758 0.2614 -112.934 12.7792 115.3164 151.1183 35.3865 -77.3253 -115.3463 3.9929 117.1194 -123.5415 -23.5463 95.7928 -0.8331 111.9009 130.5507 -116.7153 -96.7535 15.9806 6.3973 121.9584 -103.0758 -142.5216 -24.2093 98.1305 -143.5571 -41.6324 76.6799 -13.1567 113.5723 49.9114 -64.6081 22.486 144.9594 -69.8353 52.6382 146.8201 -90.7065 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00032 0.00041 0.00050 0.00052 0.00056 0.00061 0.00068 0.00082 0.00094 0.00133 0.00154 0.00174 0.00214 0.00219 0.00245 0.00255 0.00288 0.00289 0.00333 0.00338 0.00371 0.00385 0.00440 0.00466 0.00477 0.00526 0.00551 0.00579 0.00587 0.00619 0.00665 0.00690 0.00713 0.00730 0.00783 0.00814 0.00834 0.00844 0.00867 0.00939 0.00957 0.00977 0.01017 0.01073 0.01089 0.01128 0.01198 0.01210 0.01231 0.01256 0.01292 0.01318 0.01335 0.01394 0.01404 0.01458 0.01471 0.01524 0.01530 0.01561 0.01573 0.01611 0.01708 0.01742 0.01765 0.01851 0.01957 0.02120 0.02187 0.02260 0.02349 0.02456 0.02494 0.02653 0.02726 0.02752 0.02812 0.02837 0.03070 0.03499 0.03621 0.03968 0.04115 0.04201 0.04326 0.04487 0.05094 0.05294 0.05442 0.05570 0.05757 0.05788 0.29730 0.30827 0.32093 0.34470 0.36268 0.37199 0.38279 0.39055 0.40397 0.41482 0.42196 0.42732 0.42944 0.44869 0.46080 0.46784 0.46850 0.46950 0.47757 0.47858 0.48607 0.49016 0.53886 0.54002 0.54108 0.54118 0.54132 0.54138 Angle between quadratic step and forces= 69.09 degrees. 1 2 3 0.00149321 0.00000744 0.00000000 0.00000949 0.00000304 0.00000304 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 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 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 3.55804 3.37522 1.84479 1.85489 1.84625 3.53559 1.84449 1.81724 1.88738 3.58916 3.50674 1.81848 1.89124 3.45509 3.45827 3.13888 3.09938 1.84945 3.55253 3.42315 1.84256 3.12724 3.62225 1.84100 1.84814 3.61404 3.45414 1.84196 1.84251 3.15715 3.57388 1.88873 1.81725 1.81737 1.88820 3.49822 3.11253 1.88387 1.81793 3.52336 3.52059 1.84402 1.84327 1.84248 1.84538 1.81724 1.88832 3.09450 1.85219 1.84117 1.57891 2.37399 1.73659 1.99286 1.90385 1.83621 2.74154 2.70519 1.87557 2.16668 2.20777 1.73284 1.69746 1.68149 1.85773 2.14035 1.96006 1.66874 2.19574 1.64094 1.83080 2.36657 1.75626 1.96622 1.97570 1.49943 1.82526 1.84268 1.87432 2.80781 1.85759 1.99509 1.83495 2.81556 1.82572 2.06820 1.85310 2.82091 2.80729 1.59837 1.78564 2.23005 1.67661 2.19632 1.87411 2.16503 1.68750 1.59013 1.86721 2.13971 1.96183 1.85959 1.71378 1.87161 2.13469 2.07488 1.76484 2.03501 1.89393 1.87121 2.83185 1.90997 1.86617 1.83453 2.79681 1.61072 2.11893 1.71217 2.16655 1.93063 1.86915 1.83840 2.25867 1.83622 2.76127 2.97826 3.03224 2.92044 2.94439 3.03325 3.04381 3.12254 3.13237 3.09015 2.96708 3.00976 2.96526 3.20714 2.98593 3.29573 3.11678 3.24022 3.33961 3.03123 3.30771 2.93818 3.39241 3.30510 3.00353 2.94355 3.02234 1.29424 -2.77672 -0.61588 -0.19274 1.73791 -2.56089 -1.80880 0.12186 2.10624 2.28118 -2.07135 -0.08696 -0.51322 -2.90029 -3.00494 0.89117 1.21993 -1.16714 2.60550 -1.60836 0.47849 -1.20827 2.50455 0.84577 0.81444 -0.87076 -3.03093 -1.13553 0.83929 2.17422 -2.17246 -1.82138 0.11513 -0.13711 1.79940 2.31177 0.24233 -1.47596 -2.65749 -0.59683 1.15272 -1.33630 1.44581 3.11837 0.60837 -2.89272 -1.22016 2.81041 -0.69068 0.98188 1.69421 -2.60558 -0.47544 1.50795 -2.12647 -0.14308 -1.61334 2.55410 2.30978 0.19403 0.58810 -1.52765 -2.44537 1.29809 -0.68217 1.01428 -0.93794 -0.19272 -1.79205 2.21371 1.71154 0.11221 -2.16521 0.84309 -3.11831 -1.09773 0.96097 -1.16184 -1.81067 2.20095 -0.09892 0.14124 -2.13032 1.85300 -0.68895 1.10100 3.13545 -0.42475 1.63427 1.46690 -0.73371 2.30403 -1.78505 0.00456 -1.97107 0.22304 2.01265 2.63751 0.61761 -1.34958 -2.01317 0.06969 2.04412 -2.15621 -0.41096 1.67190 -0.01454 1.95304 2.27854 -2.03707 -1.68867 0.27891 0.11165 2.12858 -1.79901 -2.48747 -0.42253 1.71270 -2.50554 -0.72662 1.33832 -0.22963 1.98221 0.87112 -1.12762 0.39245 2.53002 -1.21886 0.91871 2.56249 -1.58313 -0.00002 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00000 -0.00002 0.00000 -0.00004 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00002 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00002 0.00000 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00002 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00220 0.00026 -0.00000 0.00008 0.00003 -0.00031 0.00008 -0.00003 0.00001 -0.00085 0.00035 -0.00002 0.00002 -0.00048 -0.00046 -0.00075 -0.00022 0.00001 0.00031 -0.00133 -0.00001 -0.00214 -0.00025 -0.00004 -0.00002 0.00087 0.00033 0.00001 0.00003 -0.00066 -0.00091 0.00024 -0.00003 -0.00002 0.00006 -0.00058 -0.00031 0.00005 -0.00004 -0.00132 -0.00148 0.00002 0.00007 -0.00002 0.00001 -0.00001 -0.00003 0.00035 -0.00004 0.00004 0.00007 0.00037 0.00002 -0.00168 0.00138 0.00036 0.00066 0.00055 0.00026 0.00058 -0.00077 0.00037 -0.00108 0.00046 0.00008 -0.00059 0.00168 0.00008 -0.00168 -0.00010 0.00000 -0.00048 0.00062 0.00063 0.00123 -0.00186 0.00016 0.00092 0.00079 -0.00115 0.00006 -0.00056 0.00020 -0.00162 0.00005 0.00011 -0.00085 -0.00001 0.00192 -0.00002 -0.00166 -0.00071 0.00003 0.00185 0.00012 -0.00187 -0.00037 0.00014 0.00017 0.00090 0.00076 0.00039 0.00029 0.00088 -0.00308 0.00319 -0.00171 -0.00128 -0.00043 0.00021 0.00208 0.00127 0.00012 -0.00006 -0.00094 -0.00079 0.00136 -0.00030 -0.00090 0.00101 -0.00018 -0.00020 -0.00149 0.00005 -0.00035 -0.00045 -0.00008 -0.00040 0.00165 0.00020 -0.00045 -0.00152 -0.00059 0.00026 0.00061 0.00009 -0.00057 0.00180 -0.00020 0.00004 0.00009 -0.00063 -0.00047 -0.00033 0.00091 0.00047 0.00030 0.00005 -0.00068 -0.00031 0.00004 0.00145 -0.00093 0.00003 -0.00034 0.00008 0.00033 -0.00015 0.00028 0.00052 0.00036 0.00078 0.00102 -0.00075 0.00120 -0.00010 0.00184 -0.00077 0.00117 0.00085 -0.00102 -0.00003 0.00041 -0.00020 0.00200 -0.00076 -0.00069 0.00148 -0.00153 -0.00021 -0.00193 -0.00153 -0.00076 -0.00036 -0.00038 0.00002 0.00166 0.00067 0.00163 0.00049 -0.00055 -0.00024 0.00036 0.00069 -0.00058 0.00027 0.00060 -0.00067 -0.00145 -0.00113 -0.00240 -0.00249 -0.00252 -0.00187 -0.00190 -0.00168 -0.00172 0.00186 0.00360 0.00139 0.00313 0.00171 0.00346 -0.00289 -0.00336 -0.00398 -0.00001 -0.00144 -0.00003 -0.00004 -0.00236 0.00082 0.00081 -0.00151 0.00055 -0.00049 -0.00032 0.00310 0.00362 -0.00003 -0.00074 -0.00040 0.00051 -0.00021 0.00013 -0.00183 -0.00350 -0.00244 0.00136 0.00037 -0.00209 -0.00178 0.00481 0.00152 -0.00040 0.00391 0.00062 -0.00130 0.00120 0.00213 0.00137 -0.00296 -0.00389 -0.00065 -0.00158 -0.00306 -0.00399 -0.00048 0.00093 -0.00250 -0.00109 -0.00009 0.00132 -0.01489 -0.01559 -0.01550 0.00011 -0.00159 -0.00331 -0.00501 0.00008 -0.00162 0.01670 0.01499 0.00417 0.00349 0.00127 0.00019 0.00213 0.00106 0.00263 0.00155 -0.00220 0.00026 -0.00000 0.00008 0.00003 -0.00031 0.00008 -0.00003 0.00001 -0.00085 0.00035 -0.00002 0.00002 -0.00048 -0.00046 -0.00075 -0.00022 0.00001 0.00031 -0.00134 -0.00001 -0.00214 -0.00025 -0.00004 -0.00002 0.00088 0.00033 0.00001 0.00004 -0.00065 -0.00090 0.00024 -0.00003 -0.00002 0.00006 -0.00058 -0.00032 0.00005 -0.00004 -0.00132 -0.00148 0.00002 0.00007 -0.00002 0.00001 -0.00001 -0.00003 0.00035 -0.00004 0.00004 0.00007 0.00037 0.00002 -0.00168 0.00138 0.00036 0.00066 0.00055 0.00026 0.00058 -0.00077 0.00037 -0.00108 0.00046 0.00008 -0.00059 0.00168 0.00007 -0.00168 -0.00010 0.00000 -0.00048 0.00062 0.00063 0.00123 -0.00186 0.00016 0.00092 0.00079 -0.00115 0.00006 -0.00057 0.00020 -0.00162 0.00004 0.00010 -0.00085 -0.00001 0.00191 -0.00002 -0.00166 -0.00072 0.00003 0.00185 0.00012 -0.00186 -0.00037 0.00014 0.00017 0.00089 0.00076 0.00039 0.00029 0.00088 -0.00309 0.00318 -0.00170 -0.00128 -0.00045 0.00023 0.00206 0.00127 0.00012 -0.00006 -0.00094 -0.00079 0.00136 -0.00030 -0.00090 0.00101 -0.00018 -0.00020 -0.00149 0.00005 -0.00035 -0.00045 -0.00008 -0.00040 0.00165 0.00020 -0.00045 -0.00152 -0.00059 0.00026 0.00062 0.00009 -0.00056 0.00180 -0.00020 0.00004 0.00009 -0.00063 -0.00047 -0.00033 0.00091 0.00046 0.00029 0.00005 -0.00068 -0.00031 0.00004 0.00145 -0.00093 0.00003 -0.00034 0.00008 0.00033 -0.00014 0.00028 0.00052 0.00036 0.00078 0.00102 -0.00075 0.00120 -0.00010 0.00184 -0.00077 0.00117 0.00085 -0.00102 -0.00003 0.00041 -0.00020 0.00200 -0.00076 -0.00069 0.00148 -0.00153 -0.00022 -0.00193 -0.00153 -0.00076 -0.00036 -0.00038 0.00002 0.00165 0.00067 0.00163 0.00049 -0.00055 -0.00024 0.00036 0.00069 -0.00058 0.00027 0.00060 -0.00067 -0.00145 -0.00113 -0.00240 -0.00249 -0.00252 -0.00187 -0.00190 -0.00168 -0.00172 0.00185 0.00360 0.00138 0.00313 0.00171 0.00346 -0.00289 -0.00336 -0.00398 -0.00001 -0.00144 -0.00003 -0.00004 -0.00236 0.00082 0.00081 -0.00151 0.00055 -0.00049 -0.00032 0.00310 0.00362 -0.00003 -0.00074 -0.00041 0.00051 -0.00021 0.00013 -0.00183 -0.00350 -0.00244 0.00136 0.00037 -0.00209 -0.00178 0.00481 0.00151 -0.00040 0.00391 0.00061 -0.00130 0.00120 0.00214 0.00138 -0.00296 -0.00387 -0.00065 -0.00157 -0.00306 -0.00398 -0.00048 0.00093 -0.00249 -0.00109 -0.00009 0.00132 -0.01489 -0.01560 -0.01550 0.00011 -0.00158 -0.00332 -0.00501 0.00007 -0.00162 0.01670 0.01499 0.00417 0.00349 0.00127 0.00019 0.00213 0.00105 0.00263 0.00155 3.55584 3.37548 1.84479 1.85497 1.84628 3.53528 1.84457 1.81721 1.88740 3.58831 3.50709 1.81846 1.89126 3.45461 3.45781 3.13813 3.09915 1.84945 3.55284 3.42182 1.84255 3.12510 3.62200 1.84097 1.84812 3.61492 3.45448 1.84198 1.84255 3.15650 3.57297 1.88897 1.81722 1.81735 1.88826 3.49764 3.11221 1.88392 1.81789 3.52204 3.51911 1.84404 1.84334 1.84245 1.84538 1.81723 1.88830 3.09486 1.85215 1.84121 1.57898 2.37436 1.73661 1.99118 1.90523 1.83657 2.74220 2.70574 1.87583 2.16727 2.20701 1.73322 1.69638 1.68195 1.85781 2.13976 1.96174 1.66881 2.19406 1.64084 1.83080 2.36609 1.75687 1.96685 1.97693 1.49757 1.82541 1.84361 1.87511 2.80665 1.85765 1.99453 1.83515 2.81394 1.82577 2.06830 1.85225 2.82090 2.80920 1.59835 1.78398 2.22933 1.67663 2.19817 1.87422 2.16316 1.68713 1.59027 1.86738 2.14060 1.96259 1.85998 1.71406 1.87248 2.13160 2.07806 1.76314 2.03373 1.89348 1.87144 2.83391 1.91124 1.86628 1.83447 2.79588 1.60993 2.12030 1.71187 2.16565 1.93164 1.86897 1.83820 2.25718 1.83627 2.76092 2.97781 3.03216 2.92004 2.94604 3.03346 3.04336 3.12102 3.13178 3.09041 2.96769 3.00985 2.96470 3.20894 2.98573 3.29578 3.11687 3.23959 3.33914 3.03089 3.30862 2.93864 3.39270 3.30515 3.00285 2.94325 3.02238 1.29569 -2.77765 -0.61585 -0.19308 1.73800 -2.56056 -1.80894 0.12214 2.10677 2.28154 -2.07057 -0.08594 -0.51397 -2.89910 -3.00504 0.89302 1.21915 -1.16597 2.60636 -1.60938 0.47846 -1.20786 2.50435 0.84777 0.81369 -0.87145 -3.02946 -1.13706 0.83908 2.17229 -2.17399 -1.82213 0.11478 -0.13749 1.79942 2.31343 0.24300 -1.47433 -2.65700 -0.59737 1.15247 -1.33593 1.44649 3.11778 0.60864 -2.89212 -1.22083 2.80895 -0.69181 0.97948 1.69172 -2.60810 -0.47731 1.50605 -2.12815 -0.14479 -1.61148 2.55770 2.31117 0.19717 0.58981 -1.52419 -2.44826 1.29473 -0.68615 1.01427 -0.93938 -0.19275 -1.79209 2.21135 1.71236 0.11302 -2.16672 0.84364 -3.11879 -1.09804 0.96407 -1.15822 -1.81070 2.20020 -0.09932 0.14175 -2.13053 1.85313 -0.69079 1.09749 3.13302 -0.42338 1.63464 1.46481 -0.73549 2.30884 -1.78354 0.00416 -1.96716 0.22365 2.01135 2.63871 0.61975 -1.34820 -2.01613 0.06582 2.04347 -2.15777 -0.41403 1.66792 -0.01502 1.95397 2.27604 -2.03815 -1.68875 0.28023 0.09676 2.11298 -1.81451 -2.48736 -0.42412 1.70938 -2.51056 -0.72655 1.33670 -0.21293 1.99720 0.87529 -1.12414 0.39373 2.53021 -1.21672 0.91976 2.56513 -1.58158 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000035 0.000007 0.006496 0.001499 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -8.579620e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 490 A 476 A 476 728 490 70 70 1288.5013879911 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0441193717 0.000000 3.082220 0.000000 1.882832 3.240760 0.000000 2.785820 4.761448 4.490964 0.000000 3.512990 5.446518 5.044291 0.961641 0.000000 4.556112 3.112855 5.103613 6.097952 7.007407 0.000000 5.473743 3.684576 5.963694 6.898938 7.790697 0.962297 0.000000 2.976800 4.247552 4.672754 0.998761 1.580726 5.607927 6.330999 0.000000 4.464806 3.042315 4.654335 6.412019 7.313665 1.000802 1.572497 6.018628 0.000000 2.787847 0.976991 3.505058 4.107632 4.863065 2.791289 3.440733 3.527765 2.988122 0.000000 3.318875 1.550474 4.028019 4.700222 5.532955 1.828356 2.483233 4.125396 2.168489 0.978685 0.000000 2.797997 3.423375 0.976062 5.443269 5.994047 5.235670 6.028470 5.565128 4.629550 3.899564 4.333021 0.000000 3.076186 3.814576 1.543543 5.839984 6.475434 5.016647 5.820223 5.997045 4.316640 4.208832 4.442706 0.975039 0.000000 4.616959 3.320951 4.132280 7.042369 7.888190 2.629848 3.069803 6.783041 1.640119 3.669369 3.184532 3.783217 3.346092 0.000000 4.366291 2.712069 3.690871 6.808281 7.591925 2.993776 3.436558 6.515947 2.131449 3.282295 3.014117 3.268488 3.053342 0.974218 0.000000 4.307299 3.709100 3.699633 6.882587 7.723727 3.176482 3.773359 6.761933 2.228711 3.999723 3.618518 3.336994 2.700911 0.977996 1.550194 0.000000 4.045523 5.922240 5.875659 2.840999 3.517789 5.731228 6.479932 3.064477 6.218252 5.047515 5.104051 6.751018 6.750971 7.199094 7.345880 6.985570 0.000000 3.460011 5.534879 5.311838 1.899303 2.565594 5.863411 6.658211 2.284070 6.282475 4.713627 4.953388 6.235618 6.352164 7.134476 7.159089 6.911203 0.974724 0.000000 4.324160 5.690425 6.176117 3.059129 3.758251 5.352848 6.009651 2.961809 5.969826 4.753109 4.742224 7.018248 7.053419 7.116938 7.254937 7.034327 0.975017 1.542746 0.000000 3.886330 1.870954 3.017411 6.127596 6.747154 4.045370 4.534015 5.798907 3.508272 2.796808 3.106433 2.639608 3.031943 2.852482 1.912468 3.171116 7.392295 6.973569 7.305181 0.000000 3.355103 2.301464 2.135140 5.801589 6.394117 4.468613 5.099354 5.632177 3.878202 3.085957 3.493267 1.654864 2.157271 3.074638 2.249497 3.077253 7.146312 6.674468 7.190211 0.999474 0.000000 4.675649 2.574751 3.654855 6.801242 7.340918 4.851337 5.230473 6.449339 4.319365 3.547678 3.911041 3.169506 3.659139 3.569438 2.595378 3.933307 8.255187 7.790179 8.151960 0.961647 1.580462 0.000000 4.927182 5.173051 6.638110 4.045596 4.767728 4.469370 4.890962 3.471936 5.302781 4.199890 3.992147 7.353792 7.421313 6.708871 6.835069 6.884539 2.830391 3.193331 1.891214 6.947985 7.095872 7.742206 0.000000 5.884905 5.939143 7.581967 4.866585 5.510012 5.027457 5.301470 4.263221 5.931093 4.981339 4.712642 8.279806 8.340454 7.420648 7.576610 7.655451 3.522904 3.971930 2.556983 7.734522 7.948600 8.502164 0.961710 0.000000 4.761900 4.898209 6.357874 4.447960 5.278301 3.687450 4.118810 3.945425 4.523577 3.953439 3.546182 6.998550 6.954092 5.976964 6.211172 6.148289 3.024276 3.489598 2.239456 6.570424 6.730321 7.411487 0.999193 1.576274 0.000000 4.237375 5.935565 5.595116 4.729266 5.583526 4.760679 5.532182 4.936866 5.022214 5.214904 4.907285 6.234346 5.854468 5.863058 6.319496 5.484779 2.659089 3.249780 3.027101 7.009132 6.729577 7.964090 3.987022 4.660950 3.428406 0.000000 3.973580 5.848581 5.559261 3.924508 4.738098 5.064705 5.850684 4.166077 5.418288 5.055212 4.888721 6.310595 6.075429 6.316343 6.648144 5.989950 1.670694 2.301159 2.156254 7.083911 6.799655 8.016294 3.448739 4.159670 3.120357 0.996903 0.000000 5.105555 6.891741 6.412624 5.447313 6.241680 5.569704 6.289384 5.723658 5.821951 6.174810 5.843642 7.037060 6.600496 6.633903 7.152570 6.208939 3.122223 3.818543 3.557005 7.921816 7.616315 8.878824 4.617997 5.177793 4.091087 0.962007 1.570198 0.000000 4.782354 4.859047 6.088650 5.311643 6.237311 2.793080 3.266019 4.962453 3.514052 4.060597 3.382343 6.580691 6.322596 4.957199 5.413338 5.068290 3.738928 4.272061 3.287434 6.224018 6.361233 7.124955 2.639566 3.114008 1.647080 2.809259 3.016006 3.456292 0.000000 4.516921 4.168487 5.595317 5.483243 6.427878 1.830037 2.368902 5.088221 2.548271 3.479037 2.675991 5.978938 5.708030 4.037895 4.501225 4.237626 4.352757 4.727843 3.947969 5.415191 5.618076 6.305034 3.209513 3.748102 2.259260 3.294949 3.589282 4.032275 0.975812 0.000000 4.501829 5.146066 5.822363 5.115988 6.047832 3.300444 3.919784 4.950856 3.816333 4.373582 3.798823 6.352227 6.019899 5.052106 5.551391 4.973018 3.307373 3.895192 3.099506 6.391061 6.378965 7.330191 3.047610 3.623403 2.164399 1.864482 2.236026 2.513777 0.975417 1.570659 0.000000 3.682196 3.624940 5.206426 2.644520 3.177894 4.787636 5.329604 1.661023 5.365639 2.816879 3.292654 5.945311 6.365081 6.359398 6.079221 6.573860 3.811844 3.364691 3.294616 5.422542 5.548525 6.032198 2.807637 3.475113 3.294955 5.362429 4.728743 6.211537 4.452753 4.469970 4.767491 0.000000 3.284605 2.666990 4.599565 3.071227 3.700059 4.066346 4.615995 2.187981 4.569804 1.879918 2.430910 5.244052 5.664373 5.492260 5.160856 5.763617 4.260370 3.835853 3.799633 4.488891 4.685333 5.103313 3.191668 3.912950 3.410491 5.355780 4.871423 6.267386 4.264502 4.072605 4.622601 0.974998 0.000000 4.067964 4.044408 5.698511 3.036475 3.668099 4.515189 5.010122 2.157995 5.219858 3.126006 3.323817 6.431564 6.726242 6.404086 6.263575 6.629962 3.373339 3.170393 2.671873 5.889802 6.050319 6.572212 1.851177 2.503977 2.415624 4.876911 4.255301 5.679844 3.745789 3.906434 4.127352 0.976530 1.549402 0.000000 3.923027 4.613565 3.138717 6.593830 7.374926 4.509753 5.277046 6.742754 3.727858 4.798393 4.643178 2.855960 1.916814 2.790507 3.095084 1.827854 6.690942 6.560403 6.991737 4.086907 3.532425 4.842509 7.327924 8.185318 6.655842 5.077129 5.594700 5.688587 5.624616 5.014840 5.217556 6.998545 6.325509 7.101879 0.000000 4.755066 5.559057 3.884428 7.387471 8.147667 5.307812 6.025468 7.602209 4.498085 5.759276 5.580427 3.528431 2.553428 3.469765 3.844862 2.497687 7.364898 7.272115 7.727112 4.903928 4.323867 5.586796 8.146622 8.991506 7.445920 5.565900 6.163545 6.056105 6.325041 5.752479 5.849822 7.925247 7.273310 8.008038 0.961640 0.000000 3.411334 4.624242 3.077389 5.916674 6.720389 4.382106 5.234057 6.130707 3.772704 4.611584 4.458600 3.109054 2.283079 3.254207 3.603750 2.371888 5.796779 5.708519 6.156469 4.482822 3.915907 5.326186 6.650367 7.517855 5.997168 4.140246 4.652228 4.740395 5.005280 4.528230 4.483662 6.503369 5.932082 6.542395 0.999257 1.577401 0.000000 2.754762 4.819211 3.280533 4.732511 5.541656 4.610371 5.542172 5.080359 4.332604 4.507349 4.440988 3.760308 3.237280 4.364703 4.657724 3.668279 4.310635 4.250641 4.804022 5.226062 4.660320 6.128850 5.638128 6.523859 5.095928 2.816458 3.185186 3.433759 4.344625 4.163930 3.645777 5.701777 5.347186 5.663976 2.619107 3.123524 1.637541 0.000000 1.786089 4.156845 2.605713 3.871065 4.672703 4.480244 5.440951 4.209996 4.276319 3.822560 3.931838 3.270584 2.989854 4.373883 4.479543 3.796039 3.926715 3.680188 4.387651 4.711080 4.132217 5.600027 5.212810 6.145225 4.795173 3.071162 3.155141 3.828769 4.322988 4.126751 3.745771 4.897913 4.548743 4.973256 2.956076 3.632550 2.119195 0.980134 0.000000 0.976219 3.649734 2.672697 1.855685 2.547754 5.169077 6.063588 2.215702 5.220884 3.215003 3.822480 3.632128 3.988078 5.529664 5.272125 5.256634 3.544773 2.798138 3.866868 4.661493 4.176130 5.392896 4.668561 5.612263 4.690628 4.325134 3.844544 5.151441 5.005717 4.903439 4.721471 3.281280 3.132204 3.717396 4.844519 5.642487 4.254938 3.326189 2.360431 0.000000 3.200208 5.159549 4.092566 4.699953 5.552163 4.503470 5.403707 5.012411 4.401465 4.686166 4.502177 4.629328 4.140002 4.747254 5.142348 4.153421 3.703286 3.843880 4.183142 5.818324 5.365457 6.755254 5.063383 5.896999 4.483154 1.863015 2.359071 2.475398 3.689960 3.687332 2.878671 5.575434 5.323718 5.378957 3.362353 3.836682 2.378383 0.974305 1.552719 3.605236 0.000000 0.981566 2.211011 2.262422 2.992632 3.786550 3.772509 4.648301 2.848863 3.770172 1.811455 2.374014 3.006134 3.303291 4.113859 3.825337 4.001758 4.142723 3.646583 4.199227 3.344663 3.049676 4.169811 4.418798 5.352165 4.218871 4.336772 4.101413 5.271493 4.273312 3.905985 4.181804 3.093400 2.515911 3.465766 4.052843 4.969225 3.638788 3.177965 2.302155 1.555371 3.499010 0.000000 H28O14 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 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3001,.9889,1.5442;1.4062,1.8746,-1.1929;2.1408,1.1864,1.8875;-2.2712,2.0227,1.8279;-2.6354,2.7407,2.3539;.7953,-.8328,-2.6024;.8954,-.9053,-3.5567;-2.2783,2.3168,.8735;1.7047,-.977,-2.2103;.4851,1.5491,-1.1805;.4887,.7615,-1.7615;3.0921,1.1045,1.6853;3.2556,.1436,1.6591;3.1893,-.9082,-1.5167;3.3906,.0364,-1.3893;3.2345,-1.3017,-.6224;-3.4518,-.4914,1.2308;-3.094,.3223,1.6307;-3.6569,-.2434,.3104;3.2433,1.862,-.8388;3.2697,1.6785,.1433;3.8826,2.5576,-1.0183;-3.4426,.1048,-1.5361;-4.1439,.0086,-2.1871;-2.7773,-.619,-1.7146;-1.8631,-2.6022,.9284;-2.4648,-1.8364,1.1415;-2.302,-3.3941,1.2536;-1.673,-1.8398,-1.7688;-.7597,-1.5926,-2.0076;-1.637,-2.2642,-.8912;-2.1441,2.4748,-.7745;-1.2159,2.3368,-1.0391;-2.6356,1.7307,-1.1724;3.1283,-1.7021,1.1578;3.6585,-2.377,1.5917;2.1786,-1.8562,1.4278;.6221,-1.7212,1.9183;.4143,-.7651,1.8611;-.5232,1.4012,1.8687;-.1729,-2.1758,1.5857;.299,1.1404,.5744; 0.4001415 0.2435266 0.2374567 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. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 2.29D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 490 490 490 490 490 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.69618737241 -1070.69618737 1 1.067239737131e+03 -5.109821934383e+03 1.683428741260e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 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. Using compressed storage, NAtomX= 42. Will process 43 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111 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. 12811 words used for storage of precomputed grid. Keep R1 ints in memory in canonical form, NReq=6503340156. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 113526 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. There are 129 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 126 vectors produced by pass 0 Test12= 2.84D-14 1.00D-09 XBig12= 6.19D+01 1.42D+00. AX will form 126 AO Fock derivatives at one time. 126 vectors produced by pass 1 Test12= 2.84D-14 1.00D-09 XBig12= 2.38D+00 1.38D-01. 126 vectors produced by pass 2 Test12= 2.84D-14 1.00D-09 XBig12= 2.12D-02 1.61D-02. 126 vectors produced by pass 3 Test12= 2.84D-14 1.00D-09 XBig12= 5.79D-05 1.02D-03. 126 vectors produced by pass 4 Test12= 2.84D-14 1.00D-09 XBig12= 8.50D-08 2.87D-05. 78 vectors produced by pass 5 Test12= 2.84D-14 1.00D-09 XBig12= 5.64D-11 4.92D-07. 5 vectors produced by pass 6 Test12= 2.84D-14 1.00D-09 XBig12= 3.57D-14 1.42D-08. InvSVY: IOpt=1 It= 1 EMax= 8.88D-15 Solved reduced A of dimension 713 with 129 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 125.19 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 132.282 -1.044 122.470 -0.332 -0.567 120.821 149.067 -0.747 146.502 -0.218 -0.660 145.384 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT14031.600S Tue Nov 5 02:12:45 2024 -19.14106 -19.13992 -19.13788 -19.13736 -19.13714 -19.13557 -19.13013 -19.12372 -19.11900 -19.11830 -19.11779 -19.11619 -19.11600 -19.10797 -1.03877 -1.03358 -1.03098 -1.02877 -1.02646 -1.02458 -1.01889 -1.01226 -1.00563 -1.00452 -1.00260 -0.99994 -0.99637 -0.99091 -0.55927 -0.55703 -0.55582 -0.55393 -0.55333 -0.55069 -0.54262 -0.53781 -0.53374 -0.53196 -0.52954 -0.52692 -0.52485 -0.52114 -0.45794 -0.45051 -0.43405 -0.43147 -0.42544 -0.42005 -0.40711 -0.40483 -0.39669 -0.39228 -0.38167 -0.37886 -0.37280 -0.35760 -0.33930 -0.33849 -0.33611 -0.33515 -0.33447 -0.33161 -0.33084 -0.32454 -0.31956 -0.31867 -0.31677 -0.31578 -0.31516 -0.30902 -0.01065 0.01244 0.02385 0.02478 0.03585 0.03739 0.06447 0.07528 0.08258 0.08883 0.09219 0.09724 0.10009 0.10463 0.11345 0.11404 0.12570 0.12911 0.13590 0.14148 0.14384 0.14830 0.15392 0.16108 0.16660 0.16732 0.17346 0.17822 0.17976 0.18311 0.18880 0.19441 0.19914 0.20146 0.21087 0.21660 0.22093 0.22166 0.22374 0.22654 0.22975 0.23222 0.23520 0.24124 0.24752 0.24874 0.25324 0.25541 0.26096 0.26380 0.26519 0.26942 0.27121 0.27243 0.27403 0.28004 0.28446 0.28651 0.28893 0.29176 0.29837 0.29968 0.30355 0.30589 0.31367 0.31796 0.33239 0.33886 0.34154 0.35483 0.36376 0.38569 0.40860 0.42483 0.42949 0.43498 0.44467 0.44927 0.45952 0.45958 0.46509 0.47300 0.48984 0.51960 0.52707 0.53052 0.53746 0.54862 0.55009 0.55672 0.56376 0.56666 0.57410 0.57925 0.58048 0.59131 0.59407 0.60429 0.61136 0.61269 0.61967 0.63440 0.63936 0.64200 0.65801 0.66232 0.67196 0.67470 0.67940 0.68772 0.70915 0.71211 0.92877 0.93402 0.94081 0.94856 0.95817 0.96114 0.97021 0.97382 0.98329 0.98565 0.99841 1.00851 1.01166 1.01532 1.02216 1.02916 1.03373 1.03677 1.04494 1.05001 1.05718 1.05885 1.06469 1.06721 1.06824 1.07198 1.07850 1.08446 1.09297 1.09565 1.10314 1.10980 1.11291 1.11644 1.12596 1.13670 1.13895 1.14265 1.15084 1.16054 1.16881 1.19459 1.22892 1.24070 1.24737 1.26386 1.27680 1.28139 1.28592 1.29586 1.29889 1.30968 1.31952 1.32396 1.33645 1.34701 1.34976 1.35690 1.36344 1.37209 1.38049 1.38384 1.39254 1.40262 1.41271 1.41771 1.42489 1.43573 1.44738 1.45433 1.46038 1.47303 1.48438 1.48723 1.49667 1.50416 1.50815 1.51221 1.53217 1.54011 1.55222 1.55636 1.56777 1.57714 1.58688 1.59856 1.61003 1.61981 1.62280 1.62883 1.63565 1.65597 1.66631 1.68048 1.69706 1.71136 1.71776 1.72405 1.74545 1.74899 1.75318 1.77104 1.77438 1.78621 1.80070 1.81700 1.82249 1.83061 1.83803 1.85095 1.87049 1.87870 2.01817 2.02542 2.03131 2.03669 2.03767 2.04299 2.17557 2.18948 2.20404 2.21990 2.23149 2.23713 2.26268 2.28161 2.29242 2.29870 2.31072 2.31851 2.32982 2.33708 2.34203 2.35777 2.37340 2.38419 2.40584 2.41448 2.41836 2.44059 2.50378 2.51446 2.51542 2.51973 2.52818 2.53777 2.60540 2.62343 2.63179 2.64919 2.66785 2.67818 2.68564 2.69286 2.71105 2.72324 2.73018 2.73218 2.75487 2.76272 2.78169 2.79322 2.81895 2.84421 2.84901 2.86949 2.87463 2.88910 3.05662 3.05950 3.06905 3.07706 3.08173 3.08573 3.09335 3.11117 3.11257 3.11956 3.12636 3.13238 3.13521 3.13828 3.14226 3.14394 3.14459 3.14817 3.15408 3.17250 3.17639 3.18907 3.19614 3.20389 3.21474 3.22973 3.23124 3.23908 3.29511 3.29820 3.30268 3.30521 3.31536 3.31891 3.33155 3.33361 3.34511 3.34966 3.35601 3.36163 3.36775 3.39328 3.65696 3.66840 3.68154 3.68702 3.69854 3.71559 3.74086 3.74995 3.75279 3.75599 3.75901 3.77037 3.77244 3.78330 3.89010 3.90225 3.90247 3.90843 3.91287 3.91848 3.92276 3.93199 3.94087 3.94267 3.94768 3.95353 3.97151 3.99357 4.99527 4.99834 5.00677 5.01027 5.01456 5.01969 5.02403 5.03268 5.03518 5.03854 5.04856 5.05766 5.09304 5.11120 5.36992 5.38588 5.39549 5.39913 5.40668 5.42138 5.43631 5.45567 5.46650 5.47038 5.49136 5.50731 5.51242 5.56053 5.65424 5.65566 5.65778 5.66241 5.67016 5.67307 5.67578 5.68256 5.69087 5.72318 5.73174 5.73894 5.75872 5.78634 49.87646 49.89713 49.89947 49.90546 49.91209 49.91482 49.92247 49.92784 49.93707 49.94361 49.94984 49.95241 49.96006 49.96675 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 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.806157 0.387824 0.336756 -0.769544 0.311459 -0.776703 0.290212 0.407085 0.432917 -0.766529 0.380149 -0.625087 0.331534 -0.667338 0.328404 0.393227 -0.659684 0.364855 0.342319 -0.773673 0.414269 0.314433 -0.766277 0.302886 0.416805 -0.753987 0.413449 0.292134 -0.712489 0.393966 0.368827 -0.649936 0.352288 0.352250 -0.768756 0.306715 0.412807 -0.718505 0.360507 0.408631 0.398807 0.399153 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 4 6 10 12 14 17 20 23 26 29 32 35 38 O O O O O O O O O O O O O O 0.001627 -0.051001 -0.053575 0.001444 0.043203 0.054293 0.047490 -0.044972 -0.046586 -0.048404 0.050304 0.054602 -0.049234 0.040808 -0.00000 -5.65586275e-02 -7.77005756e-02 -5.31860120e-01 1.32282249e+02 -1.04424122e+00 1.22469758e+02 -3.31860602e-01 -5.66916432e-01 1.20821405e+02 -0.0010 -0.0010 -0.0002 2.2068 3.8607 4.0593 42.8475 48.9403 52.4706 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 42.8475 48.9402 52.4705 57.2067 59.6818 66.1074 71.9915 73.1582 80.6642 83.4512 88.4634 100.9149 107.1460 116.3312 144.4969 156.0313 165.8424 174.3217 176.9202 182.7153 186.9979 188.6014 195.6386 214.8483 220.1876 224.8310 231.6323 237.5191 288.3176 298.2434 300.5925 305.5988 308.2654 314.7159 316.2611 322.7926 328.2469 334.1165 345.5861 347.1761 349.3509 354.4727 467.6748 475.7355 479.6073 495.7334 498.1785 506.6512 552.2261 555.3064 577.1843 591.5479 604.1926 619.8760 634.8284 649.2936 657.4920 671.0696 676.6224 692.7279 697.7408 717.6322 725.5060 743.0234 761.0747 771.1554 798.2656 815.5760 827.1834 849.9009 906.2797 946.8327 999.6191 1013.4046 1059.1578 1067.6347 1101.1050 1117.3867 1639.5216 1641.9984 1648.1287 1652.7405 1658.0614 1669.5391 1685.0233 1694.3736 1696.9104 1706.6792 1711.7267 1724.0963 1730.0458 1749.2369 3103.8125 3136.5362 3141.0781 3155.4753 3163.5910 3209.2516 3453.7776 3519.3810 3545.1991 3563.1656 3581.3993 3585.7949 3587.5849 3591.2506 3610.5712 3617.7879 3627.0475 3645.4267 3653.5627 3659.6366 3662.9688 3665.0427 3872.2377 3876.5675 3880.2612 3880.8131 3881.1907 3881.5197 6.0674 5.8502 6.1501 6.3428 6.5339 6.1928 6.2669 6.3355 6.4405 6.5634 6.2842 6.6996 7.2824 7.9323 5.8233 5.6857 6.1107 5.2985 5.3338 5.5433 5.2414 5.2557 5.1814 5.4730 5.5780 5.9631 5.4970 5.1827 4.6065 3.7364 4.9074 5.2601 2.1367 2.3947 2.7367 1.3504 1.1797 2.1297 1.2888 2.6039 1.9559 1.2198 1.0376 1.0459 1.0518 1.0607 1.0574 1.0766 1.0332 1.0422 1.0523 1.0451 1.0450 1.0489 1.0557 1.0427 1.0551 1.0446 1.0420 1.0440 1.0438 1.0488 1.0476 1.0481 1.0668 1.0806 1.0714 1.0800 1.0750 1.0710 1.0738 1.0497 1.0432 1.0461 1.0396 1.0410 1.0412 1.0414 1.0723 1.0745 1.0738 1.0730 1.0725 1.0716 1.0680 1.0711 1.0720 1.0737 1.0661 1.0664 1.0651 1.0609 1.0685 1.0686 1.0685 1.0684 1.0686 1.0672 1.0599 1.0626 1.0575 1.0568 1.0512 1.0510 1.0707 1.0744 1.0484 1.0527 1.0724 1.0749 1.0734 1.0759 1.0795 1.0826 1.0657 1.0659 1.0660 1.0661 1.0660 1.0662 0.0066 0.0083 0.0100 0.0122 0.0137 0.0159 0.0191 0.0200 0.0247 0.0269 0.0290 0.0402 0.0493 0.0632 0.0716 0.0816 0.0990 0.0949 0.0984 0.1090 0.1080 0.1101 0.1168 0.1488 0.1593 0.1776 0.1738 0.1723 0.2256 0.1958 0.2613 0.2894 0.1196 0.1397 0.1613 0.0829 0.0749 0.1401 0.0907 0.1849 0.1406 0.0903 0.1337 0.1395 0.1425 0.1536 0.1546 0.1628 0.1856 0.1894 0.2065 0.2155 0.2248 0.2375 0.2507 0.2590 0.2687 0.2772 0.2811 0.2952 0.2994 0.3182 0.3249 0.3409 0.3641 0.3786 0.4023 0.4233 0.4334 0.4558 0.5197 0.5544 0.6142 0.6330 0.6871 0.6991 0.7438 0.7661 1.6982 1.7069 1.7185 1.7269 1.7372 1.7599 1.7867 1.8118 1.8187 1.8426 1.8404 1.8676 1.8783 1.9126 6.0646 6.1938 6.2115 6.2676 6.3011 6.4762 7.4492 7.7544 7.8308 7.9054 7.9442 7.9618 8.1190 8.1638 8.0523 8.1180 8.3125 8.4163 8.4419 8.4900 8.5339 8.5683 9.4145 9.4380 9.4562 9.4598 9.4611 9.4642 0.5413 0.2190 1.1296 0.8661 1.6150 1.4652 4.1202 2.1140 0.9244 0.0316 4.2763 2.0383 6.1304 0.6720 0.1429 0.3329 4.0215 37.0679 0.2980 0.5291 3.5889 4.7959 4.2687 13.8687 4.4728 3.0604 18.6542 11.0028 18.6182 0.6225 24.8359 23.5808 11.5775 10.2214 17.0120 8.3215 69.5986 68.6535 42.2875 14.2459 14.5278 144.1639 9.3258 27.7001 56.1859 54.9146 85.7919 5.8191 50.0794 4.6025 53.0494 6.0417 13.8764 10.6243 77.2944 61.5494 7.0969 13.4528 4.1055 21.6896 25.4958 22.9233 46.2751 107.4947 258.6240 246.7667 547.0953 359.8172 416.2856 288.0864 24.9770 49.2760 94.8359 139.8945 93.6986 129.9588 131.5408 122.0996 115.0214 150.9820 96.1755 88.2885 92.0502 79.2305 18.4287 16.5654 97.4524 66.1089 8.3497 29.9766 39.6348 10.0818 539.2324 437.9050 804.2310 2362.3423 949.8150 1301.4743 684.3744 640.3396 352.2975 386.7487 328.0233 775.2279 417.0087 452.5847 111.0961 114.8884 607.9516 884.9366 204.8308 588.3997 524.4749 1443.6353 62.3104 62.0862 71.4717 62.6836 63.9952 47.3075 0.03 0.00 0.04 -0.05 -0.09 -0.02 0.03 0.11 -0.01 0.03 -0.03 0.06 0.01 -0.05 0.07 -0.03 -0.04 -0.09 0.07 -0.00 -0.09 0.02 -0.01 0.06 -0.08 -0.09 -0.00 -0.05 -0.09 0.01 -0.06 -0.07 -0.02 0.03 0.11 -0.03 0.04 0.11 0.03 -0.12 -0.12 0.10 -0.10 -0.12 0.05 -0.11 -0.07 0.13 0.12 -0.05 -0.04 0.10 -0.06 -0.00 0.06 -0.01 -0.01 -0.05 -0.08 -0.08 -0.01 -0.00 -0.07 -0.05 -0.10 -0.16 -0.07 0.08 -0.01 -0.12 0.12 0.03 -0.09 0.09 -0.09 0.17 0.01 -0.20 0.16 -0.02 -0.14 0.19 -0.01 -0.23 -0.11 0.07 -0.20 -0.11 0.06 -0.24 -0.05 0.06 -0.21 -0.00 0.02 0.06 -0.01 -0.02 0.05 -0.04 0.06 0.05 0.02 0.08 0.18 0.05 0.11 0.19 0.03 0.07 0.21 0.03 0.02 0.20 0.03 0.02 0.16 0.03 0.01 0.04 0.09 0.02 0.04 -0.00 -0.06 0.03 0.09 0.20 0.11 0.09 0.10 0.05 0.17 0.05 0.05 -0.07 -0.11 0.02 -0.16 -0.13 -0.01 -0.11 0.16 0.03 -0.14 0.24 0.02 -0.05 -0.11 0.01 -0.10 0.08 -0.01 0.08 0.13 0.09 0.03 0.12 0.11 0.14 -0.04 -0.03 0.04 -0.06 -0.04 -0.09 -0.06 -0.05 -0.02 -0.08 -0.05 -0.11 -0.07 -0.05 -0.08 -0.07 -0.08 -0.08 -0.08 -0.07 -0.05 -0.07 -0.09 0.14 -0.07 -0.04 0.14 -0.07 -0.04 0.20 -0.13 -0.06 0.03 -0.09 -0.08 0.05 -0.06 -0.10 0.01 -0.12 -0.06 0.04 0.02 0.01 -0.03 -0.02 -0.03 0.11 -0.00 0.06 -0.01 -0.12 -0.04 -0.02 -0.03 -0.02 0.01 -0.08 -0.02 -0.02 -0.09 0.02 0.00 -0.00 0.04 0.04 -0.11 -0.02 -0.10 -0.03 -0.05 -0.14 -0.07 -0.06 -0.11 0.06 0.01 -0.05 0.17 0.09 -0.00 0.18 0.08 0.05 0.13 0.09 -0.06 0.20 0.06 0.10 0.20 0.11 -0.04 -0.05 0.16 -0.07 -0.10 0.12 -0.01 -0.07 0.09 0.01 0.16 -0.05 -0.02 0.17 -0.10 -0.03 0.02 -0.14 -0.07 0.10 -0.15 0.01 0.11 -0.07 -0.01 0.05 -0.18 -0.06 -0.14 0.13 -0.06 -0.09 0.06 -0.03 -0.08 0.05 -0.05 -0.08 -0.03 -0.04 0.09 -0.13 -0.06 0.08 -0.07 -0.08 0.05 -0.14 0.13 0.10 -0.04 0.08 0.13 -0.05 0.12 0.07 -0.05 -0.10 0.04 0.08 -0.07 -0.00 0.07 -0.15 0.09 0.10 0.07 -0.05 -0.07 0.05 -0.09 -0.04 0.06 -0.07 -0.05 0.10 0.07 0.04 0.12 0.10 0.01 0.04 0.09 0.03 0.05 -0.08 -0.02 0.03 -0.07 -0.07 0.09 -0.02 0.01 0.00 0.01 -0.08 0.02 -0.06 -0.01 0.01 -0.00 -0.06 -0.09 -0.04 -0.17 -0.04 -0.05 -0.24 -0.05 -0.02 -0.04 0.04 -0.04 0.24 0.02 -0.04 0.27 -0.03 0.02 0.11 0.05 -0.02 0.18 -0.04 -0.13 0.14 -0.00 -0.01 -0.16 0.03 0.15 -0.04 -0.05 -0.12 0.02 0.08 0.11 -0.11 0.09 0.12 -0.12 -0.10 0.15 -0.01 -0.06 0.11 -0.00 0.01 0.07 -0.12 -0.13 0.09 0.04 0.01 0.20 -0.12 0.02 0.20 -0.11 -0.02 -0.10 0.11 -0.00 -0.10 0.11 -0.16 0.01 0.09 -0.11 -0.00 0.12 -0.11 -0.03 0.07 0.21 -0.02 0.10 0.20 0.01 0.06 0.13 -0.04 0.11 0.03 -0.01 0.14 0.01 -0.05 0.13 0.11 -0.07 0.17 -0.04 -0.09 0.10 -0.10 -0.11 0.17 -0.05 -0.09 0.05 0.08 -0.09 -0.03 0.13 -0.07 0.03 0.07 -0.08 -0.01 -0.03 -0.06 -0.04 -0.06 0.03 -0.04 0.01 -0.07 -0.05 -0.08 0.02 -0.14 -0.07 0.08 -0.15 -0.03 -0.05 -0.07 0.01 -0.10 0.06 -0.00 -0.13 0.02 0.01 -0.07 0.06 0.01 0.01 -0.01 -0.01 -0.00 -0.11 0.02 0.03 -0.15 0.03 -0.04 -0.01 0.02 0.06 -0.15 -0.07 -0.04 -0.14 0.01 0.06 -0.09 -0.09 -0.04 -0.12 -0.06 -0.08 0.02 -0.01 -0.09 0.06 0.12 0.10 -0.16 0.12 0.02 -0.15 -0.05 -0.03 0.04 0.10 0.06 -0.12 0.00 0.07 -0.14 0.02 0.10 -0.18 -0.08 -0.05 -0.09 -0.10 -0.05 -0.07 0.03 -0.05 -0.01 0.05 -0.05 -0.00 -0.07 -0.04 -0.00 -0.06 -0.10 0.05 -0.06 -0.10 0.05 -0.03 -0.08 0.05 0.03 -0.03 -0.08 -0.01 -0.04 -0.08 0.06 -0.05 -0.05 0.05 0.03 0.08 0.10 -0.01 0.04 0.12 0.09 0.10 0.05 -0.02 0.06 -0.00 -0.06 0.05 0.03 -0.07 -0.07 0.20 0.18 0.12 0.19 0.15 0.03 0.24 0.15 0.10 -0.01 0.05 0.05 -0.02 0.08 0.01 -0.00 0.05 0.05 -0.15 -0.07 -0.01 -0.13 -0.05 -0.01 -0.13 -0.03 0.10 -0.07 0.02 0.27 -0.05 0.01 0.10 -0.07 -0.05 -0.13 -0.05 -0.01 0.25 -0.06 -0.04 -0.14 -0.07 -0.05 -0.03 0.00 0.03 -0.03 -0.09 0.06 -0.09 0.01 0.05 0.10 0.01 0.02 0.15 -0.09 0.01 0.07 -0.11 -0.01 0.07 0.01 0.10 0.12 -0.08 0.01 0.05 -0.01 0.07 -0.00 -0.06 0.06 0.01 -0.09 0.08 -0.09 -0.07 0.08 -0.05 -0.07 -0.01 0.01 -0.04 -0.01 -0.03 -0.07 0.02 0.03 0.15 0.00 -0.07 0.11 -0.01 -0.00 0.23 0.05 -0.08 -0.01 0.01 -0.10 -0.03 0.04 -0.09 -0.00 0.01 -0.11 0.31 0.06 -0.05 0.30 0.10 -0.04 0.22 -0.04 -0.01 -0.06 -0.17 0.02 0.00 -0.11 -0.01 -0.10 -0.12 0.08 0.01 -0.22 0.00 0.02 -0.18 0.06 -0.03 -0.22 0.00 0.06 0.15 0.12 0.07 0.20 0.12 0.13 0.12 0.09 -0.07 0.06 0.03 -0.05 0.09 0.05 -0.07 0.03 0.02 -0.08 -0.05 -0.02 -0.11 -0.06 -0.04 -0.04 -0.02 -0.00 -0.06 -0.10 -0.01 -0.06 -0.00 -0.03 -0.06 0.15 0.06 0.02 -0.07 0.02 -0.05 0.06 0.02 -0.05 0.16 0.08 -0.09 0.18 0.02 0.13 -0.04 -0.04 0.12 0.03 -0.04 -0.05 0.09 0.06 0.14 -0.04 -0.05 0.02 -0.07 0.03 0.04 -0.08 0.04 -0.06 0.01 0.01 -0.11 -0.00 -0.00 0.15 -0.06 -0.06 0.12 -0.05 -0.04 0.06 -0.04 -0.05 0.13 0.01 0.17 0.11 0.02 0.17 0.10 0.01 0.17 0.03 -0.07 -0.01 -0.01 -0.04 -0.00 0.01 -0.05 0.01 -0.00 -0.11 0.17 -0.06 -0.10 0.23 0.02 -0.06 0.06 -0.04 -0.06 -0.16 0.02 -0.05 -0.03 -0.00 -0.07 -0.14 0.07 -0.01 -0.13 0.08 -0.01 -0.10 0.05 -0.05 -0.14 -0.00 -0.07 0.04 -0.00 -0.08 0.03 -0.00 -0.10 0.09 -0.14 0.03 -0.05 -0.20 0.02 0.01 -0.17 0.09 -0.09 -0.15 0.12 -0.13 -0.16 0.12 -0.06 -0.05 0.19 0.06 -0.13 0.10 -0.16 -0.06 0.11 0.06 0.14 -0.06 -0.05 0.09 0.00 -0.06 0.09 0.10 -0.02 0.19 -0.07 -0.00 0.24 -0.04 -0.01 -0.02 -0.05 -0.07 -0.01 -0.10 -0.06 0.16 -0.09 -0.01 -0.01 0.03 -0.05 0.10 -0.04 -0.06 0.10 -0.02 -0.09 0.10 0.10 0.01 0.06 0.09 -0.02 -0.06 0.18 0.04 -0.04 0.18 0.02 -0.12 0.19 0.05 -0.05 0.02 0.05 0.03 -0.01 0.04 -0.05 0.02 0.06 0.06 0.20 0.03 0.09 0.17 0.02 0.04 0.21 0.02 -0.04 -0.05 0.04 -0.05 -0.02 0.05 -0.06 -0.06 0.01 -0.14 -0.04 -0.05 -0.12 -0.03 -0.02 -0.15 -0.04 -0.06 -0.05 -0.05 -0.04 -0.05 -0.04 -0.03 -0.06 -0.05 -0.04 0.12 -0.13 -0.00 0.11 -0.14 -0.03 0.08 -0.11 0.01 -0.19 0.08 0.00 -0.16 0.06 -0.07 -0.17 0.04 0.03 -0.16 -0.07 0.12 -0.10 -0.06 0.06 0.15 -0.04 -0.06 -0.16 -0.04 0.05 0.14 -0.09 -0.05 -0.09 -0.01 0.01 0.17 -0.12 0.03 -0.10 0.12 0.10 -0.12 -0.05 -0.11 -0.13 -0.04 -0.12 -0.10 -0.05 -0.10 -0.15 -0.04 -0.11 -0.01 -0.02 -0.10 -0.09 -0.04 -0.14 0.15 -0.07 0.02 0.09 -0.04 -0.02 -0.09 0.13 0.16 -0.09 0.13 0.11 -0.08 -0.01 -0.14 -0.03 -0.03 -0.12 -0.07 -0.01 -0.14 -0.02 -0.13 0.05 -0.04 -0.11 0.03 -0.04 -0.11 0.06 0.16 -0.11 0.10 0.06 -0.03 0.12 0.17 -0.11 0.11 0.00 0.11 0.10 0.01 0.16 0.09 -0.03 0.08 0.09 0.05 -0.09 0.05 0.02 -0.11 0.06 0.08 -0.11 0.05 -0.09 0.04 0.07 -0.09 0.01 0.01 -0.04 0.00 0.05 0.19 0.06 -0.07 0.19 0.01 -0.03 0.16 0.06 -0.05 0.01 0.17 -0.09 0.05 0.20 -0.10 0.03 0.12 -0.07 0.04 0.01 -0.03 -0.02 0.00 -0.00 -0.12 -0.03 -0.04 0.05 -0.03 -0.00 -0.02 -0.02 0.01 -0.04 -0.12 0.13 0.02 0.12 0.10 0.01 0.04 -0.09 -0.02 0.04 -0.16 -0.07 0.04 -0.19 0.02 0.12 0.21 -0.04 0.19 0.20 -0.01 0.02 -0.16 0.04 0.07 0.14 0.05 0.06 0.20 0.06 0.04 0.21 -0.01 0.03 -0.18 -0.02 0.02 -0.15 0.10 -0.01 0.00 0.13 -0.01 -0.05 0.07 0.02 0.02 0.08 -0.05 0.02 0.09 -0.02 -0.02 -0.00 -0.05 0.04 0.11 0.04 -0.17 0.08 0.05 -0.17 0.13 0.03 -0.16 -0.13 0.01 0.04 -0.15 -0.02 0.06 -0.11 0.04 0.02 -0.02 -0.12 -0.04 0.02 -0.10 -0.00 -0.06 -0.11 -0.06 -0.04 0.09 0.03 -0.03 0.11 0.10 -0.07 0.02 -0.00 -0.02 0.04 -0.17 -0.00 -0.01 -0.09 -0.03 0.02 -0.13 -0.04 0.01 0.01 -0.01 0.06 0.04 -0.03 -0.03 0.02 -0.03 -0.15 0.07 -0.05 -0.15 0.12 -0.03 -0.07 0.09 -0.01 -0.15 0.02 0.02 -0.07 0.14 -0.09 -0.16 -0.01 0.07 0.05 0.04 -0.12 0.05 -0.05 0.01 0.08 0.08 0.10 0.14 0.05 -0.02 0.18 -0.11 0.00 0.24 -0.11 0.00 0.02 0.06 -0.04 0.07 -0.09 0.07 0.06 0.04 0.06 0.10 -0.02 -0.11 0.10 -0.01 -0.05 0.11 0.03 -0.06 -0.08 -0.02 0.00 -0.09 -0.03 -0.04 -0.06 -0.01 -0.13 0.14 0.06 -0.13 0.14 0.06 -0.07 0.10 0.04 0.13 -0.10 -0.05 0.04 -0.03 -0.03 0.18 -0.15 -0.05 0.01 -0.15 0.01 0.01 -0.13 0.00 0.02 -0.14 -0.02 -0.07 0.17 -0.01 -0.04 0.19 0.01 -0.13 0.18 -0.08 0.07 -0.08 -0.08 0.05 0.01 -0.09 0.10 0.03 -0.02 -0.00 -0.15 0.05 0.00 -0.08 0.04 0.03 -0.17 0.04 0.10 0.10 0.07 0.16 0.16 0.08 0.11 -0.01 0.04 0.06 -0.14 -0.01 0.04 -0.14 0.01 -0.06 -0.12 0.00 0.05 -0.12 -0.01 -0.05 -0.10 -0.00 0.14 0.01 0.11 -0.12 -0.05 0.07 0.15 0.11 0.12 0.13 -0.02 -0.08 0.09 -0.06 -0.07 0.01 0.12 -0.17 0.01 0.15 -0.17 0.05 -0.01 -0.08 -0.01 0.04 -0.15 -0.12 -0.05 0.08 -0.12 -0.00 0.02 0.15 0.10 0.09 0.11 0.10 0.09 -0.09 -0.10 -0.01 -0.10 -0.10 0.01 -0.11 -0.09 0.00 0.01 -0.01 -0.01 0.08 -0.03 -0.05 0.02 -0.02 -0.02 -0.13 -0.13 -0.00 -0.03 -0.05 0.01 -0.14 -0.14 -0.11 0.04 -0.03 -0.01 0.07 -0.13 -0.03 0.11 0.02 0.05 -0.12 -0.12 0.05 -0.11 -0.11 0.03 -0.15 -0.12 0.01 0.17 0.10 0.12 0.16 0.08 0.05 0.18 0.04 0.09 -0.11 0.08 -0.09 -0.10 0.04 -0.05 -0.10 0.06 -0.06 -0.01 0.11 0.08 -0.03 0.11 0.08 -0.03 0.06 0.00 -0.08 -0.05 -0.15 -0.06 -0.04 -0.06 0.13 0.01 0.08 -0.11 -0.04 -0.08 0.10 -0.04 0.10 -0.01 0.03 0.09 -0.01 -0.04 0.03 0.08 -0.07 -0.03 -0.11 -0.03 -0.14 -0.12 -0.02 -0.16 -0.01 0.01 -0.10 0.08 0.07 -0.10 -0.01 0.01 -0.13 -0.05 0.01 -0.02 0.00 -0.07 0.08 -0.02 -0.04 0.03 0.06 -0.09 -0.13 0.06 -0.09 -0.09 -0.12 0.05 0.13 -0.09 0.04 0.10 -0.05 0.03 0.12 -0.20 -0.07 0.17 -0.16 -0.06 0.12 -0.10 -0.09 0.14 -0.07 0.13 -0.06 -0.01 0.07 -0.08 -0.10 0.16 -0.07 0.18 -0.00 0.21 0.17 0.07 0.21 0.15 -0.01 0.12 -0.00 0.09 -0.06 -0.05 0.03 0.02 0.07 0.04 -0.08 0.04 -0.10 -0.11 0.03 -0.08 -0.14 0.07 -0.03 -0.08 0.11 0.15 -0.11 0.13 0.10 -0.03 0.15 0.08 -0.02 0.08 -0.11 0.10 0.05 -0.13 0.10 0.06 -0.08 0.06 0.03 0.01 -0.07 0.05 0.01 0.00 -0.04 -0.00 0.05 0.01 0.05 -0.08 0.01 -0.01 0.08 0.08 -0.06 -0.07 -0.08 0.04 -0.01 0.03 0.06 0.09 0.11 -0.09 -0.08 0.18 -0.12 0.01 0.03 -0.00 0.17 -0.03 0.04 0.16 0.03 -0.01 -0.05 0.07 -0.01 0.08 -0.10 0.10 -0.04 -0.09 0.04 0.03 0.05 0.07 0.14 0.03 0.07 0.09 0.21 -0.07 -0.15 0.12 -0.06 -0.11 0.14 -0.05 -0.14 -0.17 -0.02 0.10 -0.07 -0.04 0.06 -0.10 -0.03 0.08 -0.07 -0.14 0.06 -0.05 -0.08 0.07 -0.09 -0.13 0.02 0.10 -0.00 0.11 0.07 0.05 0.14 0.06 -0.02 0.03 -0.01 0.09 -0.10 -0.04 0.05 -0.03 0.03 0.07 -0.10 -0.06 -0.15 -0.15 -0.04 -0.11 -0.04 -0.11 -0.09 -0.12 -0.12 0.21 -0.06 -0.12 0.24 -0.06 -0.06 0.13 0.00 -0.04 0.10 -0.09 -0.01 0.12 -0.10 -0.02 0.07 -0.04 0.01 -0.03 0.17 0.05 -0.03 0.09 0.06 -0.08 -0.08 0.03 0.01 0.07 0.07 -0.03 -0.07 0.01 0.01 -0.01 0.01 0.02 0.06 -0.21 -0.01 -0.03 0.17 -0.10 -0.07 0.19 -0.07 -0.11 -0.02 0.15 0.12 -0.05 0.22 0.11 0.21 -0.13 -0.09 -0.02 0.03 0.08 0.00 0.02 0.04 0.02 0.00 0.05 -0.20 0.03 -0.02 -0.14 0.04 0.00 0.01 -0.12 0.01 -0.01 -0.12 0.00 -0.01 -0.11 0.02 0.01 -0.01 0.01 0.06 -0.02 -0.02 -0.01 -0.01 0.01 -0.27 0.00 0.00 -0.25 -0.02 0.01 -0.33 0.06 0.02 0.00 0.01 0.01 0.01 0.06 -0.01 -0.01 -0.00 0.00 0.06 0.06 0.00 0.03 0.04 -0.00 0.10 0.04 0.02 0.01 0.02 0.01 0.00 0.07 0.04 0.01 0.03 0.02 0.27 -0.14 -0.00 0.27 -0.18 -0.00 0.20 -0.08 -0.03 -0.05 -0.02 -0.04 -0.06 -0.01 -0.00 -0.06 0.02 -0.04 -0.00 0.09 -0.05 0.00 0.09 -0.05 -0.01 -0.00 -0.01 -0.01 0.08 -0.03 0.01 0.02 -0.02 -0.00 0.04 -0.00 0.03 0.04 0.02 0.10 -0.07 0.04 -0.09 0.06 0.02 -0.11 0.08 -0.02 0.04 0.13 -0.16 0.03 0.22 -0.17 -0.00 0.05 0.02 0.03 0.04 -0.20 0.02 0.06 -0.06 0.03 0.08 -0.07 0.09 -0.09 -0.02 0.07 -0.09 -0.03 0.19 -0.04 -0.11 0.12 -0.04 -0.07 0.17 -0.05 -0.12 -0.01 -0.00 0.00 -0.03 0.00 0.01 -0.03 0.01 0.01 -0.13 0.04 0.03 -0.06 -0.04 0.01 -0.21 0.11 0.05 -0.11 0.03 -0.03 -0.13 0.08 -0.01 -0.17 -0.00 -0.05 -0.12 -0.15 0.10 -0.08 -0.12 0.06 -0.15 -0.12 0.13 -0.13 -0.12 -0.04 -0.14 -0.09 -0.05 -0.10 -0.11 -0.04 0.14 -0.00 0.02 0.14 -0.04 0.03 0.10 0.05 -0.01 0.11 0.03 0.16 0.12 0.10 0.26 0.11 0.01 0.12 -0.00 -0.00 0.09 -0.03 -0.01 0.04 0.00 0.04 0.01 0.01 -0.05 0.13 -0.01 0.04 0.00 0.01 0.08 0.03 -0.01 -0.05 0.03 -0.29 -0.04 -0.11 0.29 0.02 0.03 0.38 0.02 0.10 0.03 0.01 -0.09 0.06 0.12 -0.10 0.12 0.04 0.04 0.03 0.04 -0.08 0.00 -0.09 0.10 -0.01 -0.07 0.07 -0.27 0.00 -0.06 -0.17 0.02 0.02 0.02 0.09 -0.01 0.04 0.09 0.03 0.07 0.04 -0.04 -0.13 -0.06 -0.03 -0.04 -0.12 -0.02 -0.08 -0.03 -0.03 0.14 -0.03 -0.00 -0.02 -0.02 0.01 0.18 -0.05 0.08 -0.05 0.01 -0.03 -0.05 -0.01 -0.02 -0.05 0.01 -0.02 -0.04 -0.13 0.05 -0.09 -0.17 0.01 0.03 -0.15 0.08 -0.04 -0.05 -0.04 -0.04 -0.07 -0.07 -0.01 -0.08 -0.06 -0.10 0.10 -0.02 -0.11 0.07 -0.03 -0.11 0.10 0.00 0.10 -0.10 0.04 0.07 -0.08 0.09 0.10 -0.03 0.05 0.03 0.14 0.03 0.02 0.14 0.00 0.01 0.09 0.02 0.04 0.11 0.07 0.01 0.03 0.02 0.00 0.08 0.05 -0.00 0.03 -0.06 0.02 0.01 0.04 0.01 0.20 0.03 0.03 0.29 -0.07 -0.08 -0.06 0.11 -0.14 -0.18 0.11 0.03 0.07 -0.01 -0.05 -0.01 0.08 -0.01 0.06 -0.07 -0.03 0.04 -0.03 0.03 0.03 0.03 0.07 0.04 0.05 -0.08 0.05 -0.05 -0.11 0.05 -0.03 0.01 0.01 -0.07 -0.14 -0.05 -0.02 -0.14 -0.08 0.03 -0.06 -0.01 -0.02 -0.07 -0.05 -0.01 -0.05 -0.02 -0.01 -0.05 -0.08 -0.06 0.08 -0.01 0.01 0.14 0.02 -0.06 0.11 0.00 0.03 -0.10 -0.15 -0.18 -0.10 -0.18 -0.10 -0.14 -0.20 -0.33 0.09 0.12 0.03 0.11 0.11 0.09 0.02 0.03 -0.01 0.06 -0.12 -0.01 0.07 -0.09 -0.02 0.07 -0.14 0.02 0.14 -0.06 -0.05 0.16 -0.08 -0.11 0.17 -0.04 0.02 0.06 -0.01 0.14 0.03 -0.02 0.11 0.02 0.11 0.05 0.10 -0.04 0.09 -0.02 0.07 0.05 0.03 0.02 0.00 0.03 0.04 -0.01 -0.01 0.16 0.04 -0.04 0.08 0.05 -0.03 0.08 0.05 0.06 0.01 -0.05 0.12 0.04 -0.04 -0.03 0.09 0.06 0.02 -0.08 0.01 0.04 0.02 -0.01 0.05 0.03 -0.01 0.01 0.25 0.12 0.09 0.27 0.14 -0.00 -0.22 0.10 0.07 -0.24 0.05 -0.06 -0.19 0.13 -0.04 -0.02 -0.04 -0.07 -0.03 -0.02 -0.02 -0.02 -0.04 0.00 0.17 -0.03 0.04 0.24 -0.03 -0.06 0.21 -0.08 -0.07 -0.03 0.00 -0.10 -0.04 0.04 -0.07 -0.01 -0.03 0.00 -0.06 0.08 -0.01 -0.06 0.03 0.00 -0.05 0.10 -0.01 -0.04 -0.05 -0.02 -0.02 -0.07 0.02 -0.04 -0.06 0.01 0.08 0.00 0.00 0.05 0.01 -0.01 0.09 0.01 -0.01 -0.20 -0.17 -0.05 -0.32 -0.30 0.00 -0.12 -0.09 0.03 -0.05 0.00 0.05 -0.05 0.02 0.03 0.01 0.01 0.01 -0.03 0.03 0.02 0.01 0.00 0.05 0.10 0.06 -0.02 0.03 -0.04 -0.11 0.07 0.00 -0.05 -0.17 -0.10 -0.20 -0.22 -0.14 -0.00 -0.01 -0.06 -0.00 -0.00 -0.06 -0.05 -0.20 -0.13 -0.00 -0.00 -0.06 -0.02 0.03 -0.02 -0.02 0.02 -0.01 -0.10 0.10 0.03 -0.03 0.12 0.09 0.03 0.01 -0.03 0.02 0.01 0.00 0.06 -0.03 -0.05 0.14 0.10 0.22 0.21 0.13 0.12 0.02 0.06 0.25 0.03 0.01 -0.02 -0.02 0.05 -0.01 0.05 -0.01 -0.01 0.13 0.15 -0.11 0.19 0.23 -0.19 0.07 0.08 -0.04 -0.12 0.00 -0.02 -0.03 0.05 0.08 -0.17 0.02 -0.04 -0.05 0.02 -0.01 -0.04 -0.03 -0.00 -0.09 0.03 -0.00 -0.11 -0.15 -0.00 -0.10 -0.04 -0.02 -0.04 -0.19 -0.03 0.09 -0.14 0.00 0.08 -0.15 -0.01 0.10 -0.12 0.02 -0.01 -0.05 0.06 0.02 -0.04 0.07 0.02 0.06 0.04 -0.02 -0.02 0.05 0.03 0.07 0.05 -0.02 0.01 0.13 0.16 0.14 0.06 -0.05 -0.05 0.04 0.10 -0.01 -0.01 0.10 -0.02 0.00 -0.07 -0.20 -0.10 -0.10 -0.32 -0.09 0.03 -0.02 -0.01 -0.09 -0.20 -0.11 0.12 0.21 0.02 0.08 0.22 0.03 -0.07 -0.08 -0.04 -0.10 -0.09 -0.09 0.03 -0.20 -0.09 0.06 -0.20 -0.15 0.02 -0.12 -0.06 -0.01 -0.01 -0.04 0.00 -0.03 -0.03 0.01 -0.00 -0.05 -0.03 0.19 0.06 -0.05 0.05 0.03 -0.09 0.28 0.18 0.04 -0.03 0.03 0.06 -0.03 0.02 0.06 -0.03 0.05 0.03 0.04 -0.05 0.01 0.03 -0.05 0.04 0.02 -0.10 0.00 0.04 0.06 -0.00 0.01 0.01 0.03 0.04 0.06 -0.11 -0.00 -0.02 -0.09 0.11 -0.03 -0.03 -0.07 -0.01 -0.00 0.07 0.06 0.03 0.18 0.18 -0.01 0.03 0.03 -0.01 -0.03 -0.02 -0.02 -0.03 0.05 -0.04 0.01 0.10 -0.01 -0.01 -0.05 0.04 0.08 0.15 -0.06 -0.13 -0.16 0.03 -0.07 0.12 0.10 -0.07 -0.03 0.02 0.10 0.01 0.16 0.18 -0.00 -0.02 0.05 0.03 -0.03 0.13 0.02 -0.05 0.02 -0.01 -0.02 -0.03 0.01 0.04 -0.10 0.13 0.04 -0.07 0.09 0.11 -0.06 0.00 0.09 -0.06 -0.05 -0.01 -0.13 0.01 0.06 -0.14 -0.04 -0.05 -0.07 0.04 -0.08 -0.04 0.18 -0.07 -0.04 0.16 -0.10 -0.03 0.19 -0.00 0.11 0.03 0.07 0.05 0.01 -0.10 0.21 0.05 0.09 0.12 -0.15 0.18 0.21 -0.27 0.05 0.07 -0.08 0.03 -0.08 -0.01 0.02 -0.13 0.07 0.08 -0.12 -0.04 -0.02 0.02 -0.02 -0.01 0.02 -0.01 -0.02 0.01 -0.02 -0.11 -0.10 -0.01 -0.11 -0.05 0.01 -0.07 -0.14 -0.00 -0.04 0.08 -0.02 -0.06 0.06 -0.01 -0.05 0.13 0.01 0.03 0.15 -0.01 -0.02 0.15 -0.13 -0.03 -0.07 -0.15 0.08 0.06 0.01 -0.01 -0.09 -0.16 -0.02 0.02 0.17 -0.02 0.12 -0.07 0.02 0.02 0.08 0.06 0.08 -0.01 0.08 0.14 -0.08 0.08 -0.07 -0.01 0.18 -0.14 0.00 0.06 -0.00 -0.04 0.05 -0.01 0.08 -0.03 0.15 -0.11 -0.01 0.12 -0.07 -0.01 -0.04 -0.02 -0.07 -0.05 -0.05 -0.03 0.06 0.09 -0.07 0.07 0.08 -0.05 0.07 0.10 -0.09 -0.06 0.14 -0.08 -0.04 0.08 -0.11 -0.09 0.14 -0.03 -0.09 -0.02 -0.05 -0.07 -0.01 0.07 -0.19 -0.05 -0.02 0.08 -0.13 0.04 0.18 -0.21 -0.04 0.07 -0.14 0.12 -0.05 0.19 0.07 -0.09 0.15 0.20 -0.05 0.28 0.01 0.01 -0.16 0.02 0.02 -0.14 0.03 -0.01 -0.18 0.03 -0.04 0.00 0.02 -0.01 -0.03 0.02 -0.03 -0.01 -0.09 0.08 -0.06 -0.05 0.09 -0.09 -0.09 0.01 -0.07 0.01 -0.11 -0.07 -0.00 -0.11 0.07 -0.02 0.03 0.14 -0.02 -0.08 -0.06 -0.01 0.03 0.18 -0.00 -0.01 0.04 -0.10 -0.01 -0.08 0.02 0.09 0.03 0.04 0.13 0.00 0.12 0.21 -0.06 -0.04 0.08 -0.05 -0.07 0.16 -0.06 0.03 0.04 -0.03 -0.03 0.06 -0.10 -0.09 -0.03 -0.08 -0.06 -0.04 -0.06 0.03 0.09 0.06 0.01 0.09 0.09 0.12 0.05 -0.07 0.08 0.05 -0.01 0.09 0.01 -0.09 -0.07 -0.12 -0.02 -0.11 -0.13 0.02 -0.08 -0.07 -0.01 0.05 0.01 -0.04 0.04 0.05 -0.03 0.07 -0.01 -0.06 0.07 0.08 -0.00 0.14 0.17 -0.09 0.01 -0.00 0.08 0.19 0.10 -0.09 0.10 0.02 -0.05 0.32 0.03 -0.10 -0.12 -0.07 0.20 -0.15 -0.09 0.10 -0.05 -0.00 0.23 -0.02 -0.08 -0.00 -0.02 -0.07 -0.02 -0.00 -0.11 0.03 -0.06 -0.14 0.13 -0.13 -0.14 0.21 -0.09 -0.10 0.04 -0.10 -0.09 -0.08 -0.04 -0.08 0.01 0.01 0.04 0.03 -0.11 -0.00 -0.17 -0.02 -0.04 0.04 -0.10 -0.07 0.06 -0.09 0.05 -0.02 0.07 -0.01 0.06 0.05 -0.01 -0.07 0.10 0.04 -0.11 0.05 0.03 -0.02 0.14 0.10 -0.02 0.02 -0.08 -0.10 0.03 0.02 0.04 -0.07 0.01 -0.04 -0.01 0.00 -0.03 0.06 -0.01 0.02 0.05 -0.02 -0.00 0.02 -0.01 0.05 0.03 -0.01 0.04 0.01 -0.00 0.06 0.01 0.02 -0.22 -0.03 -0.02 -0.12 0.14 0.07 -0.24 0.04 0.01 -0.02 0.04 0.02 -0.03 0.07 -0.02 -0.04 0.15 0.10 0.26 0.07 0.23 0.33 0.09 0.06 0.12 -0.06 -0.04 0.12 -0.06 0.01 -0.01 -0.07 0.03 0.26 -0.11 0.06 -0.10 -0.10 0.03 -0.10 -0.09 -0.02 -0.13 -0.09 -0.20 -0.00 -0.09 -0.11 -0.03 -0.03 -0.29 0.07 0.00 0.02 -0.04 -0.02 -0.02 -0.07 -0.00 0.06 -0.03 0.04 0.08 0.00 -0.00 0.08 0.02 -0.12 -0.06 0.02 0.04 0.05 0.06 -0.07 -0.06 0.06 0.22 0.09 -0.19 0.20 -0.07 0.15 -0.10 0.04 -0.16 -0.09 0.09 0.05 -0.13 0.09 0.02 -0.03 -0.04 0.01 -0.03 0.05 0.00 -0.12 0.05 0.05 -0.02 -0.01 -0.01 0.17 -0.01 0.17 0.10 0.01 0.15 -0.07 0.05 -0.07 -0.05 0.05 0.00 0.01 0.07 -0.05 -0.04 0.07 -0.01 0.03 0.03 -0.07 -0.03 -0.05 -0.08 -0.08 -0.05 -0.02 0.04 -0.02 -0.09 -0.13 -0.08 0.05 -0.09 -0.09 0.06 -0.19 -0.03 0.02 0.07 0.03 0.08 0.05 0.12 0.10 0.05 0.03 0.00 0.06 0.01 0.13 0.03 0.01 0.05 0.09 0.04 0.22 -0.01 0.08 -0.11 -0.00 0.07 -0.10 0.00 0.03 -0.14 -0.11 -0.07 -0.05 -0.09 0.02 -0.00 -0.01 -0.16 0.00 -0.02 -0.03 0.06 0.02 0.02 0.09 -0.01 -0.11 0.02 -0.06 -0.16 -0.00 0.04 -0.15 -0.05 0.25 0.09 -0.12 -0.10 -0.09 0.00 0.16 0.09 -0.20 -0.12 -0.17 -0.01 0.18 0.08 0.16 0.09 0.05 0.05 0.02 -0.02 -0.01 0.08 -0.02 0.03 0.03 -0.12 -0.11 0.06 -0.24 -0.09 0.00 -0.01 -0.00 0.02 -0.03 -0.07 0.14 0.19 0.16 0.05 0.23 0.12 0.09 0.12 0.02 0.17 0.13 0.10 0.04 0.15 0.02 -0.09 0.17 0.08 0.04 0.09 -0.01 0.02 0.02 0.01 0.02 0.02 0.00 -0.00 0.01 0.01 -0.14 -0.15 -0.07 -0.04 -0.04 -0.05 -0.11 -0.23 -0.24 -0.03 -0.02 -0.02 -0.03 -0.02 -0.02 -0.04 -0.04 0.00 -0.00 0.00 -0.03 0.00 -0.00 -0.01 0.01 -0.00 -0.04 -0.03 -0.02 0.05 -0.04 -0.05 -0.00 -0.01 -0.01 0.05 0.00 0.01 -0.00 0.02 0.09 0.02 0.06 -0.02 -0.03 -0.01 -0.13 0.02 -0.14 -0.29 -0.08 -0.04 0.02 0.01 -0.01 0.16 -0.01 -0.04 0.16 -0.10 -0.12 -0.16 -0.02 0.02 0.10 0.00 -0.03 -0.04 0.01 0.09 0.07 -0.02 0.07 0.00 0.04 -0.05 -0.04 -0.05 -0.03 0.03 0.01 -0.07 0.03 -0.02 0.14 0.04 -0.10 0.26 0.10 -0.09 -0.04 0.01 0.00 0.09 0.02 0.01 0.06 0.03 0.03 0.06 0.04 0.01 -0.05 -0.06 -0.07 -0.06 -0.06 -0.09 0.01 -0.02 0.22 -0.00 -0.01 0.16 -0.07 0.04 0.25 -0.01 -0.01 -0.02 -0.01 -0.02 -0.00 -0.05 0.03 -0.00 -0.05 -0.08 0.02 -0.06 -0.08 0.03 -0.03 -0.10 0.02 0.00 0.05 0.02 0.06 0.12 -0.05 -0.05 -0.02 0.09 -0.03 0.00 -0.14 -0.02 -0.00 -0.08 -0.09 -0.04 -0.32 -0.14 -0.12 0.20 -0.17 -0.16 0.06 -0.06 -0.03 0.25 -0.05 -0.02 -0.01 -0.04 0.03 -0.00 -0.01 -0.06 0.01 -0.02 0.13 -0.17 0.08 0.12 -0.31 0.01 0.04 -0.10 0.08 -0.05 0.02 0.07 -0.06 0.02 0.10 0.07 -0.00 0.10 -0.06 -0.00 0.07 0.06 -0.02 -0.11 0.03 0.11 0.27 -0.20 -0.10 0.05 -0.00 0.10 0.04 -0.06 0.16 0.23 -0.01 0.22 -0.02 0.10 0.06 -0.02 0.19 0.05 -0.05 -0.03 0.18 -0.02 0.05 0.04 0.24 -0.11 -0.17 0.19 -0.13 -0.15 0.03 -0.01 0.02 0.03 -0.01 0.02 0.00 0.03 0.02 0.03 0.02 -0.01 0.00 0.05 0.03 0.03 -0.05 0.02 -0.02 -0.09 0.14 0.17 0.03 0.00 -0.10 -0.03 -0.04 -0.07 -0.01 -0.04 -0.27 0.14 -0.04 0.06 -0.01 -0.04 -0.08 -0.16 0.13 0.05 -0.02 -0.05 -0.03 0.05 0.02 -0.04 0.04 0.05 -0.05 0.02 -0.06 -0.05 0.04 -0.00 -0.05 0.07 0.01 -0.05 0.08 0.02 -0.10 0.05 -0.16 -0.10 0.04 -0.16 -0.08 0.02 -0.15 0.02 -0.00 -0.00 0.00 -0.05 -0.07 0.01 0.00 -0.01 -0.01 -0.02 -0.00 -0.03 -0.02 0.06 -0.15 0.01 0.04 -0.01 -0.01 0.00 -0.02 0.01 0.11 0.03 -0.05 0.08 0.15 -0.11 -0.05 0.01 0.05 0.02 -0.03 -0.01 -0.09 -0.16 -0.10 -0.06 0.00 0.06 0.04 -0.08 -0.15 0.05 -0.02 0.04 -0.08 0.01 0.05 0.01 0.14 -0.07 -0.11 0.11 -0.04 -0.15 -0.01 0.04 -0.06 -0.02 0.03 -0.06 -0.03 0.01 -0.03 -0.01 0.00 0.00 -0.01 -0.03 -0.05 -0.06 0.17 -0.02 0.02 0.20 -0.15 -0.25 0.10 0.01 -0.04 -0.02 0.05 -0.05 -0.02 0.06 -0.11 0.05 0.06 -0.08 0.06 0.07 0.15 0.26 -0.21 -0.07 0.07 0.13 0.08 -0.11 -0.06 0.11 -0.10 -0.11 0.20 -0.04 0.27 0.09 -0.08 0.01 0.10 0.00 0.12 0.06 -0.22 -0.06 -0.09 0.01 0.10 -0.09 0.04 0.07 -0.07 -0.03 0.14 -0.04 -0.03 0.02 -0.05 0.02 0.13 -0.05 0.01 0.02 0.03 0.03 -0.02 0.03 0.03 0.04 0.01 -0.04 0.01 0.06 0.04 -0.10 0.08 -0.09 0.07 0.23 -0.21 0.09 -0.11 0.10 -0.11 -0.09 -0.01 0.00 -0.12 -0.00 0.18 -0.30 -0.02 0.09 -0.01 -0.00 -0.01 -0.02 -0.03 -0.01 -0.06 -0.03 0.19 -0.01 -0.00 -0.01 -0.08 0.04 -0.07 -0.05 0.03 -0.06 -0.10 0.02 -0.04 -0.07 0.03 -0.05 0.03 -0.01 -0.01 -0.03 -0.00 0.06 0.03 -0.06 -0.03 -0.02 0.06 0.01 -0.06 0.03 0.10 0.10 0.10 -0.00 0.02 0.01 0.04 -0.06 0.01 0.05 0.21 -0.17 0.06 0.05 0.00 -0.01 -0.06 -0.11 0.13 0.03 -0.02 -0.01 0.00 -0.05 -0.02 -0.01 -0.07 0.01 0.06 -0.06 0.01 -0.04 0.04 0.01 -0.03 0.02 -0.00 -0.04 0.00 -0.01 0.04 -0.01 -0.20 0.04 -0.04 -0.16 0.04 -0.02 -0.18 -0.06 -0.02 0.01 -0.09 0.07 0.18 -0.08 0.05 0.01 0.06 0.15 -0.02 0.07 0.15 -0.06 0.30 -0.17 0.20 0.07 0.11 -0.00 0.13 -0.13 0.09 -0.03 -0.05 0.04 0.02 -0.08 0.08 0.09 0.17 -0.18 0.02 0.05 -0.06 -0.09 0.02 -0.09 -0.00 0.02 0.01 0.03 0.03 0.01 0.02 0.04 -0.08 -0.01 0.01 0.03 -0.01 -0.02 -0.07 0.02 -0.00 -0.09 0.07 0.15 -0.28 0.04 0.14 -0.28 0.00 -0.02 0.01 -0.06 -0.03 0.17 0.06 -0.18 -0.07 0.06 -0.14 0.01 0.05 -0.12 -0.03 0.04 -0.18 0.00 0.01 -0.05 0.30 0.02 -0.05 0.32 0.04 -0.10 0.23 0.03 -0.07 -0.04 0.04 -0.06 -0.05 0.05 -0.06 -0.06 -0.09 0.09 0.03 -0.09 0.08 0.06 -0.10 0.06 -0.05 -0.06 0.05 -0.01 -0.05 0.04 -0.01 -0.07 0.10 0.02 -0.01 0.03 0.09 -0.01 0.04 0.06 -0.01 0.03 0.07 0.01 -0.06 -0.05 0.02 0.14 0.26 0.00 -0.00 -0.04 -0.00 0.03 0.00 -0.01 0.04 0.04 -0.01 0.01 0.04 -0.02 0.04 0.03 -0.07 -0.10 0.03 -0.08 0.08 -0.03 -0.05 0.05 0.03 0.07 0.13 -0.02 0.01 -0.07 0.04 0.29 0.06 0.06 0.01 -0.03 0.00 0.05 0.24 -0.01 -0.00 -0.08 0.04 0.01 -0.04 -0.01 -0.03 0.01 0.03 0.01 -0.04 0.09 0.06 0.04 -0.05 -0.08 0.01 -0.14 -0.01 0.00 -0.01 -0.10 0.01 0.11 0.04 -0.11 -0.07 -0.05 0.12 -0.00 -0.09 0.07 0.11 0.11 0.19 -0.02 -0.01 0.01 0.07 0.03 0.04 0.08 0.17 -0.18 -0.03 0.01 0.04 0.00 -0.18 -0.17 0.24 -0.01 0.03 0.01 0.07 -0.07 -0.00 0.07 -0.09 0.01 -0.07 -0.11 -0.30 0.01 -0.02 0.01 -0.01 -0.05 -0.08 0.09 0.04 0.04 0.02 -0.02 -0.06 0.01 -0.05 -0.06 -0.03 0.04 -0.11 -0.04 -0.04 -0.01 0.02 0.24 0.34 -0.04 -0.04 -0.01 0.04 -0.05 -0.01 -0.00 -0.06 -0.04 -0.13 -0.01 -0.05 0.05 -0.11 0.05 -0.07 0.09 -0.03 0.07 -0.03 0.02 0.04 0.03 -0.11 -0.01 0.05 0.13 -0.05 0.03 -0.12 0.26 0.17 -0.10 -0.02 0.00 0.00 0.02 0.18 -0.01 -0.02 0.01 -0.13 -0.03 -0.02 0.00 0.06 -0.02 -0.03 0.06 -0.05 -0.00 -0.03 -0.03 0.07 -0.15 -0.05 -0.04 0.02 0.02 0.01 -0.05 0.03 0.08 0.07 -0.05 -0.03 -0.01 -0.01 0.01 -0.10 0.01 0.06 0.14 -0.01 -0.03 -0.03 0.02 -0.07 -0.04 0.06 -0.07 0.15 -0.16 -0.13 0.05 -0.07 -0.04 -0.15 -0.31 0.21 0.07 -0.06 -0.05 -0.01 -0.01 0.02 -0.01 -0.03 0.07 -0.11 -0.07 -0.25 -0.06 0.05 -0.00 -0.07 0.02 -0.07 -0.02 0.12 0.03 -0.02 0.03 0.14 -0.03 -0.00 0.12 -0.07 0.10 0.06 -0.06 -0.02 -0.00 -0.01 0.24 0.34 -0.07 -0.01 -0.01 0.07 0.02 -0.02 0.05 0.02 -0.03 -0.00 -0.08 -0.09 0.07 -0.02 0.06 0.17 -0.04 0.02 0.02 -0.03 0.01 -0.03 0.16 -0.07 0.00 0.04 0.07 -0.02 0.02 0.02 0.20 0.13 0.03 0.10 -0.00 0.04 0.05 -0.07 0.04 -0.02 0.00 0.01 0.11 -0.03 0.02 0.03 0.00 0.01 0.11 -0.01 0.02 -0.01 -0.01 0.04 -0.10 -0.03 -0.09 -0.10 -0.00 -0.07 -0.23 0.01 0.07 0.01 -0.14 -0.14 0.06 -0.12 -0.02 -0.01 -0.12 0.06 0.00 -0.05 0.01 -0.04 0.05 -0.02 -0.03 0.08 -0.02 0.35 -0.34 -0.14 -0.07 0.13 0.02 -0.07 0.17 0.01 -0.09 0.13 -0.01 -0.07 0.08 -0.00 -0.07 0.10 -0.03 -0.09 0.09 -0.01 0.09 -0.11 -0.00 0.10 -0.08 0.05 0.05 -0.04 0.04 -0.02 -0.02 -0.02 -0.03 -0.07 -0.02 -0.06 0.00 -0.02 0.03 -0.02 -0.01 0.08 0.26 0.37 0.03 -0.01 -0.02 -0.02 0.02 0.01 0.00 0.03 -0.00 -0.00 -0.04 -0.04 -0.04 0.04 0.02 0.08 -0.02 0.01 -0.04 0.02 -0.02 -0.01 0.02 -0.01 0.02 0.06 0.02 0.04 0.00 0.03 -0.32 -0.21 0.07 0.00 0.00 -0.01 0.02 0.02 -0.01 0.02 0.08 0.06 -0.01 -0.01 0.01 0.00 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.01 0.04 -0.11 -0.03 -0.10 0.00 0.01 0.01 -0.07 0.01 0.10 0.07 -0.09 -0.04 0.00 0.01 0.00 0.12 0.04 -0.15 -0.18 -0.09 0.02 -0.02 0.02 -0.03 0.02 0.07 -0.02 0.14 -0.15 -0.13 0.01 -0.07 0.02 0.32 0.27 -0.37 0.03 -0.06 0.04 -0.01 -0.01 -0.00 0.00 0.01 -0.02 0.01 0.02 0.08 -0.04 0.04 -0.00 -0.04 0.03 0.00 -0.05 -0.01 -0.03 0.01 0.02 -0.03 0.02 0.06 -0.01 0.08 -0.09 0.08 -0.03 -0.02 -0.03 0.04 0.30 0.39 -0.03 -0.02 -0.02 0.04 -0.01 0.00 0.03 -0.01 0.00 0.00 0.06 0.02 0.03 -0.01 0.00 -0.05 0.03 -0.02 -0.01 0.02 -0.01 -0.02 0.03 0.02 0.01 0.04 0.01 -0.02 -0.02 0.00 0.32 0.13 0.03 -0.00 0.03 -0.02 -0.09 -0.36 -0.00 -0.02 -0.03 0.00 -0.01 0.03 -0.02 -0.01 -0.01 0.02 -0.01 0.07 -0.07 0.01 -0.00 -0.00 -0.05 -0.01 -0.05 0.02 -0.01 0.02 -0.01 -0.00 0.05 0.03 -0.03 0.01 0.00 0.00 0.01 -0.08 0.00 0.08 0.05 0.04 0.01 -0.00 0.00 0.01 0.01 0.02 0.01 0.07 -0.08 -0.04 0.02 -0.01 -0.02 -0.05 -0.14 0.08 0.03 -0.02 0.01 -0.02 -0.01 -0.05 0.02 0.02 -0.05 0.28 0.10 0.63 -0.02 0.03 0.01 0.01 0.05 0.15 -0.13 -0.17 -0.08 0.01 0.00 -0.01 0.01 -0.02 0.01 -0.01 0.03 -0.04 0.01 -0.00 -0.03 0.05 0.11 0.09 0.02 -0.02 -0.02 -0.01 -0.02 0.02 0.07 0.00 0.07 -0.06 -0.04 -0.07 -0.01 0.09 -0.15 0.01 -0.04 -0.02 0.00 0.03 -0.00 0.02 -0.12 0.06 0.01 0.08 0.01 -0.01 -0.00 0.01 0.20 0.09 0.04 -0.10 0.03 -0.03 -0.18 -0.52 0.01 -0.01 -0.00 0.01 -0.11 0.07 -0.01 -0.02 -0.00 0.02 -0.12 0.10 -0.11 0.00 0.01 0.01 -0.09 -0.01 -0.04 0.08 0.02 0.05 0.18 -0.00 -0.01 0.05 0.04 0.06 0.03 -0.05 -0.01 -0.03 -0.04 0.03 -0.01 -0.01 0.01 0.03 -0.04 -0.01 0.03 -0.02 -0.01 -0.28 0.26 0.04 -0.04 0.04 0.02 0.02 0.19 -0.06 -0.06 0.04 -0.03 -0.05 0.02 0.01 -0.03 0.04 0.00 -0.22 0.01 -0.26 0.07 -0.04 -0.03 0.07 0.06 0.07 0.03 0.04 0.01 0.00 -0.02 -0.03 0.01 0.02 -0.00 0.03 -0.05 -0.01 -0.10 -0.02 0.01 -0.05 0.12 0.17 -0.10 -0.03 0.01 0.14 -0.00 -0.02 0.10 -0.01 -0.02 -0.03 -0.02 -0.03 0.12 -0.04 0.07 -0.01 -0.02 -0.01 0.01 0.02 0.01 -0.03 0.05 -0.04 0.00 -0.00 0.03 -0.05 -0.02 0.00 0.57 0.21 0.11 0.03 -0.01 0.01 0.02 0.14 -0.00 -0.02 0.03 0.02 0.04 -0.02 -0.02 -0.01 -0.00 -0.00 0.02 -0.03 0.04 -0.01 0.01 -0.02 0.04 0.01 0.07 -0.01 -0.01 -0.03 -0.05 0.00 -0.04 -0.09 0.04 -0.01 0.03 0.01 -0.01 -0.13 0.06 0.02 -0.12 -0.01 0.03 -0.01 0.01 0.02 -0.03 -0.03 0.01 0.14 -0.11 0.04 -0.01 -0.05 0.02 0.29 0.27 -0.35 0.01 -0.04 0.04 -0.01 -0.01 0.00 0.04 0.03 -0.01 -0.09 0.02 -0.03 -0.02 0.02 -0.00 -0.02 0.00 -0.01 -0.03 -0.00 -0.01 0.01 0.02 -0.02 0.01 0.01 0.01 0.05 -0.06 0.08 -0.03 0.01 0.05 -0.07 -0.23 -0.27 -0.03 -0.00 0.05 0.04 -0.00 -0.01 0.03 -0.00 -0.02 -0.09 -0.11 -0.07 0.04 -0.02 0.01 0.07 0.01 0.01 -0.00 0.02 -0.01 0.00 -0.03 0.11 -0.00 0.03 -0.02 0.01 -0.00 0.00 -0.11 -0.04 -0.03 0.20 0.04 0.03 0.19 -0.55 0.08 0.01 -0.02 -0.00 0.19 0.09 0.12 -0.02 0.01 0.02 -0.01 0.10 -0.10 0.00 0.01 0.01 -0.03 0.00 0.02 -0.15 0.00 -0.12 0.02 -0.02 -0.19 -0.10 0.03 -0.11 -0.02 0.01 0.01 0.01 -0.00 0.01 0.08 0.01 -0.02 0.03 -0.01 -0.01 0.04 -0.03 -0.01 -0.35 0.36 0.08 0.04 -0.04 -0.02 -0.07 -0.09 0.10 0.01 -0.06 -0.04 0.00 -0.01 0.00 -0.00 -0.03 0.04 -0.02 -0.04 -0.11 -0.10 0.01 0.01 -0.09 0.07 0.09 -0.12 0.04 0.03 0.01 0.00 0.00 0.01 0.03 0.01 0.02 0.01 -0.02 -0.05 -0.03 0.06 -0.04 0.02 0.11 -0.06 -0.03 0.06 0.07 -0.01 -0.02 0.05 -0.01 -0.00 0.01 0.03 0.02 0.07 -0.03 0.00 -0.05 -0.02 -0.01 -0.03 0.02 -0.02 0.00 0.03 -0.02 0.00 0.02 -0.02 0.03 0.02 0.00 -0.30 -0.11 -0.05 0.00 -0.04 0.01 -0.03 0.48 -0.04 0.02 -0.01 -0.00 0.04 -0.04 -0.10 0.01 0.01 -0.01 0.05 -0.09 0.13 0.00 0.01 -0.00 0.00 0.00 0.06 -0.00 0.00 -0.03 -0.03 0.01 -0.03 -0.11 0.05 -0.00 0.00 -0.04 0.01 0.09 -0.06 -0.03 0.03 -0.04 0.00 -0.01 0.01 0.01 -0.00 -0.02 0.00 0.07 -0.07 0.01 -0.00 0.03 -0.01 -0.12 -0.18 0.14 0.02 0.05 0.01 -0.08 0.01 -0.05 -0.05 0.04 -0.05 0.12 0.10 0.42 0.03 0.00 0.01 0.05 -0.11 -0.00 -0.02 -0.12 -0.05 0.00 -0.01 0.01 -0.01 -0.03 -0.03 -0.05 0.05 -0.04 -0.11 -0.00 0.08 -0.11 -0.18 -0.19 -0.11 -0.03 0.08 0.16 -0.03 -0.01 0.18 -0.02 0.03 0.01 0.06 0.04 0.17 0.04 -0.11 -0.04 0.07 -0.01 0.02 -0.02 0.00 0.04 -0.11 0.04 0.00 0.03 0.02 -0.02 -0.00 0.00 0.21 0.10 0.02 0.01 -0.05 0.00 0.13 0.49 -0.03 -0.00 -0.01 -0.00 0.01 -0.01 0.01 -0.02 0.04 -0.01 -0.06 -0.06 0.11 -0.00 0.00 0.01 -0.06 -0.01 -0.06 -0.04 0.02 0.01 0.12 -0.01 -0.04 0.05 -0.01 -0.01 0.01 -0.01 -0.00 -0.05 0.01 0.02 -0.04 0.00 0.01 0.04 -0.04 -0.02 0.02 -0.01 -0.01 -0.44 0.42 0.07 -0.01 0.00 0.00 0.06 0.04 -0.09 0.00 0.01 0.03 -0.02 0.00 -0.02 0.00 0.02 -0.04 0.07 0.05 0.20 0.01 0.01 0.01 0.01 -0.10 -0.09 0.04 -0.06 -0.02 0.01 -0.00 -0.00 0.01 0.02 -0.01 0.02 -0.01 0.00 0.01 -0.02 -0.03 0.07 0.22 0.28 0.01 -0.02 -0.03 -0.02 0.01 0.01 0.02 0.02 -0.00 -0.01 -0.07 -0.00 -0.02 0.04 -0.03 0.02 0.01 0.01 -0.00 -0.00 0.00 0.01 -0.05 -0.02 0.02 0.10 0.04 -0.00 0.00 -0.01 0.02 -0.08 0.12 0.00 -0.01 0.00 -0.05 0.06 -0.01 -0.05 0.10 0.02 0.03 0.00 -0.04 -0.00 0.00 -0.00 -0.05 -0.01 0.02 0.00 -0.00 -0.00 -0.11 -0.02 -0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.07 0.02 0.01 -0.00 0.02 -0.00 0.07 -0.01 -0.00 0.20 -0.01 -0.05 -0.00 0.00 0.00 0.01 0.01 0.00 0.01 -0.01 -0.02 0.00 -0.02 -0.01 -0.18 0.37 0.14 -0.17 -0.11 -0.27 -0.02 0.01 -0.00 -0.22 -0.20 0.17 0.37 -0.23 -0.06 0.02 -0.00 0.01 0.01 0.03 0.03 -0.02 0.19 0.10 -0.01 0.00 -0.00 0.03 0.14 0.06 0.17 -0.16 0.07 -0.00 -0.00 0.01 0.14 0.04 -0.10 0.03 -0.12 0.06 -0.00 -0.00 -0.00 0.13 0.03 0.06 -0.05 -0.05 -0.07 -0.06 0.16 -0.09 0.04 -0.04 -0.00 -0.00 -0.01 0.00 -0.06 0.15 -0.09 0.08 0.22 0.18 0.00 0.01 -0.00 -0.01 -0.13 0.18 0.00 0.00 -0.00 -0.10 -0.04 -0.01 -0.05 0.16 0.05 0.03 -0.00 -0.07 -0.00 0.00 0.01 0.07 -0.02 0.03 0.02 0.01 -0.01 -0.22 -0.03 -0.03 0.00 -0.00 0.01 0.09 -0.00 -0.14 -0.13 0.14 0.08 0.00 -0.00 0.00 0.08 0.03 -0.12 -0.10 -0.08 0.01 -0.00 -0.01 -0.01 -0.16 -0.16 -0.03 0.04 0.03 0.29 0.00 0.02 0.00 0.07 -0.21 -0.04 0.11 0.08 0.11 0.01 0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.02 -0.06 -0.01 -0.00 -0.01 0.00 -0.02 0.03 -0.03 -0.01 -0.01 0.01 -0.01 -0.01 -0.02 -0.21 0.00 -0.15 0.09 0.01 -0.01 -0.02 0.00 0.33 0.16 -0.14 0.08 -0.24 0.16 -0.02 0.01 -0.01 0.07 0.03 -0.10 -0.09 -0.09 -0.10 -0.06 0.04 0.06 0.11 0.02 0.01 -0.00 0.01 -0.00 -0.04 0.10 -0.07 0.02 -0.02 0.06 -0.00 0.00 -0.01 0.04 -0.12 0.19 -0.03 0.00 -0.01 0.38 -0.03 0.04 -0.09 0.15 0.04 -0.15 -0.01 0.28 0.00 -0.01 0.01 0.00 0.08 -0.10 0.00 0.01 -0.01 0.07 0.02 0.11 -0.01 -0.00 -0.01 0.05 0.00 -0.13 0.24 0.04 0.00 0.00 0.00 0.00 0.09 0.00 -0.08 -0.03 -0.04 -0.00 -0.00 0.00 -0.01 -0.15 -0.15 -0.03 0.09 -0.01 0.27 0.00 0.01 -0.00 0.00 -0.06 0.01 0.01 0.01 0.04 -0.02 0.00 -0.00 -0.10 -0.07 0.03 0.14 -0.07 0.02 0.00 -0.01 0.01 -0.05 -0.00 -0.19 0.16 0.06 0.03 0.01 -0.01 -0.01 0.01 -0.09 0.06 -0.02 0.00 0.01 0.01 0.00 -0.01 -0.28 -0.12 0.16 -0.07 0.17 -0.20 0.01 -0.02 0.01 0.00 -0.01 0.16 -0.05 0.03 -0.15 0.00 0.05 -0.07 0.10 -0.11 -0.02 -0.01 -0.00 -0.00 -0.02 0.02 -0.20 0.04 -0.01 0.14 0.01 0.00 0.00 -0.07 -0.01 -0.05 0.01 -0.00 -0.01 -0.05 0.02 -0.01 0.01 -0.03 -0.01 0.02 0.01 -0.04 0.00 -0.01 0.01 -0.08 -0.05 0.06 0.01 0.01 -0.01 0.04 0.02 0.04 -0.01 0.00 0.01 0.10 -0.01 -0.09 0.02 0.05 0.03 -0.02 -0.01 0.01 -0.08 -0.01 0.07 0.11 0.02 -0.02 -0.00 0.00 -0.02 -0.26 -0.19 -0.04 0.13 -0.01 0.39 0.01 -0.02 -0.01 -0.18 0.27 0.15 -0.15 -0.11 -0.20 0.02 -0.01 -0.01 0.20 0.16 -0.09 -0.25 0.19 0.13 0.01 0.01 0.01 0.02 0.01 0.07 -0.05 -0.09 -0.04 -0.01 0.01 0.00 0.02 0.18 0.02 0.17 -0.13 0.03 0.00 -0.01 -0.01 -0.04 0.03 0.10 -0.01 0.05 -0.02 -0.00 0.00 0.00 -0.11 -0.03 -0.13 -0.01 -0.00 -0.02 0.06 -0.15 0.05 0.08 0.10 0.01 -0.01 -0.01 -0.01 0.03 -0.07 -0.01 0.02 0.15 -0.01 0.01 -0.01 0.02 -0.09 0.19 -0.32 -0.02 0.01 -0.00 0.38 -0.04 0.04 0.10 -0.27 -0.07 -0.14 0.02 0.27 0.01 -0.01 0.00 -0.08 0.05 -0.08 0.01 0.00 0.00 -0.16 -0.03 0.00 0.01 -0.01 -0.02 0.03 0.01 -0.15 -0.00 0.13 0.05 0.01 -0.00 -0.01 -0.06 -0.07 0.18 0.02 0.16 0.03 -0.01 0.01 0.00 -0.01 -0.06 -0.01 0.10 -0.08 0.05 -0.01 -0.01 0.00 0.06 0.02 -0.08 -0.03 -0.04 0.08 -0.01 -0.00 -0.00 -0.04 -0.01 -0.07 0.04 0.00 0.06 0.00 -0.00 0.01 -0.06 0.01 -0.20 0.18 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.16 -0.03 0.07 0.00 -0.08 -0.01 -0.01 0.01 0.23 0.09 -0.14 0.05 -0.19 0.11 -0.00 0.01 -0.00 0.09 0.02 -0.04 0.04 -0.00 0.10 -0.06 0.07 0.05 -0.10 0.02 -0.00 -0.01 -0.00 -0.01 -0.05 0.15 -0.05 -0.00 -0.09 -0.01 0.00 -0.01 0.02 -0.06 0.19 -0.30 0.01 -0.00 -0.00 -0.26 0.01 -0.03 0.12 -0.25 -0.06 0.08 -0.04 -0.18 0.01 -0.00 0.00 0.13 -0.06 0.07 0.01 0.01 0.00 0.12 0.03 0.07 -0.01 0.00 0.02 0.05 -0.00 -0.05 0.03 0.03 0.03 0.01 0.01 -0.02 -0.04 -0.04 0.13 0.06 0.11 0.00 -0.00 -0.00 -0.02 -0.17 -0.17 -0.04 0.05 0.03 0.30 -0.01 -0.01 0.01 0.14 0.00 -0.15 0.07 0.05 0.04 -0.01 0.02 0.01 -0.18 -0.15 0.12 0.26 -0.18 -0.11 -0.00 -0.01 -0.02 0.03 0.00 0.12 -0.12 0.09 0.04 -0.00 0.02 0.01 -0.04 -0.07 -0.09 -0.11 0.11 -0.03 0.01 -0.00 -0.01 -0.12 0.01 0.16 -0.03 0.08 -0.10 0.01 -0.01 0.01 0.04 -0.00 0.06 0.05 0.04 0.09 -0.01 0.06 -0.07 -0.06 0.05 -0.01 0.00 -0.00 0.00 -0.09 0.23 0.27 0.01 0.26 -0.08 0.00 -0.00 -0.00 -0.06 -0.02 -0.01 -0.00 -0.01 0.00 -0.09 0.11 -0.02 -0.05 -0.02 -0.01 0.01 -0.12 -0.06 -0.01 -0.00 -0.01 0.32 0.07 -0.11 0.00 -0.01 0.00 -0.24 -0.05 0.10 -0.00 -0.00 0.01 -0.07 0.03 -0.13 0.07 0.11 0.06 -0.01 -0.00 -0.00 -0.01 -0.10 0.18 0.12 0.17 0.02 -0.00 -0.00 0.00 0.15 -0.08 -0.02 -0.06 0.03 -0.05 0.01 -0.01 -0.00 -0.02 0.18 -0.00 -0.07 -0.07 -0.07 0.01 -0.01 0.00 0.07 0.07 -0.12 -0.18 0.09 -0.00 0.00 0.00 0.01 -0.00 0.08 0.06 -0.01 -0.07 -0.03 -0.00 0.01 -0.00 0.00 -0.16 0.09 -0.05 0.03 0.02 0.01 -0.00 0.00 -0.04 -0.04 0.01 -0.01 -0.00 -0.08 0.00 0.01 -0.01 -0.01 0.02 0.26 0.03 0.15 -0.12 -0.04 0.07 -0.00 -0.02 -0.32 -0.05 -0.01 -0.01 -0.00 0.05 -0.15 -0.18 0.06 0.13 0.21 0.01 0.01 -0.00 -0.08 -0.05 0.02 0.01 -0.00 0.00 -0.11 0.00 -0.01 -0.16 -0.04 -0.01 0.07 0.09 -0.08 -0.00 0.01 0.01 -0.23 -0.02 0.05 -0.00 -0.00 -0.01 -0.12 -0.03 -0.05 -0.01 0.00 -0.00 0.05 -0.03 0.18 -0.04 -0.16 -0.07 -0.00 -0.00 -0.01 0.12 -0.19 0.24 0.00 0.32 0.08 0.00 0.00 0.00 -0.05 0.06 0.01 -0.01 0.01 -0.01 -0.02 0.00 0.00 0.11 -0.16 -0.11 0.05 0.02 0.17 0.01 0.01 0.02 -0.09 -0.03 -0.12 -0.01 -0.02 -0.07 -0.01 0.01 -0.01 0.01 -0.02 0.02 -0.01 -0.08 -0.05 -0.00 -0.01 0.00 0.07 0.17 0.17 0.17 -0.02 -0.19 0.01 0.01 0.01 -0.08 -0.10 -0.05 -0.01 0.04 -0.06 0.00 -0.01 -0.00 0.01 0.00 0.13 -0.06 0.08 -0.25 -0.03 0.05 -0.00 0.25 -0.07 -0.01 0.00 -0.01 -0.01 0.06 -0.15 -0.00 0.07 0.46 0.08 0.00 -0.00 0.02 -0.03 0.09 -0.13 0.01 0.01 -0.00 -0.04 0.00 -0.01 0.12 -0.09 -0.01 0.01 -0.00 -0.03 -0.00 0.00 0.00 -0.11 -0.03 0.05 0.00 -0.01 -0.01 -0.42 -0.09 0.11 -0.01 -0.00 0.00 0.01 -0.00 -0.03 0.14 -0.01 -0.01 0.01 0.00 0.01 -0.13 0.18 -0.23 -0.11 -0.28 -0.04 -0.01 0.01 0.00 0.10 -0.07 -0.02 0.02 -0.02 -0.03 -0.00 0.01 0.00 -0.03 -0.08 0.04 0.05 0.07 -0.03 -0.00 -0.00 -0.00 0.07 0.01 0.13 -0.01 -0.01 -0.03 0.00 -0.00 -0.00 0.04 -0.08 0.07 -0.11 0.04 0.02 -0.00 -0.00 0.00 -0.01 0.15 -0.11 0.04 -0.02 -0.01 0.03 0.01 0.00 -0.21 -0.19 -0.00 -0.04 0.08 -0.20 -0.01 -0.00 0.01 0.02 0.00 0.01 -0.03 -0.11 0.02 -0.00 0.02 -0.03 -0.02 0.04 -0.00 0.00 -0.00 0.01 0.04 -0.12 0.08 -0.07 -0.09 -0.28 -0.01 0.00 -0.01 0.13 -0.02 0.11 0.02 0.00 0.01 -0.17 0.06 -0.02 -0.09 0.06 0.01 0.06 -0.07 -0.11 -0.00 0.00 -0.01 -0.05 0.01 -0.02 0.01 0.00 0.01 0.11 0.02 0.15 -0.00 -0.01 0.01 0.01 0.02 -0.27 -0.03 0.25 0.13 0.00 -0.00 -0.00 0.09 0.01 -0.10 -0.20 -0.02 0.04 -0.01 0.01 -0.00 0.05 -0.13 -0.03 0.12 -0.09 0.06 -0.01 0.02 -0.00 -0.01 -0.22 0.04 0.03 0.01 0.13 0.00 -0.00 0.01 -0.02 -0.01 -0.05 -0.03 -0.01 -0.07 -0.00 0.00 -0.01 -0.00 0.03 0.03 0.00 -0.05 -0.03 -0.01 -0.02 0.00 0.06 0.39 0.05 0.29 -0.15 -0.11 -0.00 -0.01 -0.01 0.05 0.12 0.12 0.00 -0.03 -0.01 0.00 0.00 -0.01 0.04 0.02 0.17 0.07 0.08 0.08 -0.05 0.09 -0.01 -0.17 -0.14 -0.02 -0.01 0.00 -0.00 -0.02 0.05 -0.01 -0.01 -0.10 0.02 0.01 -0.01 0.03 -0.02 0.10 -0.14 -0.01 -0.01 0.00 0.09 0.07 0.01 -0.01 -0.15 -0.02 0.00 0.14 0.04 0.00 0.00 0.01 -0.02 0.11 -0.14 0.00 0.00 0.01 0.08 0.02 -0.11 0.00 0.01 -0.01 0.12 -0.04 0.17 -0.17 -0.14 -0.06 0.01 0.01 0.00 -0.15 0.17 -0.18 -0.05 -0.26 -0.06 0.00 -0.00 -0.01 -0.11 0.02 -0.00 0.02 0.01 0.09 -0.00 0.00 0.01 -0.02 -0.01 0.02 0.04 0.06 -0.07 -0.00 -0.01 0.00 0.12 0.04 0.14 -0.08 0.01 -0.05 0.00 0.00 -0.00 0.05 -0.12 0.04 -0.11 0.05 0.03 -0.00 0.00 -0.00 0.02 0.04 0.07 0.05 0.01 -0.08 -0.01 -0.01 0.00 0.15 0.07 -0.07 0.04 -0.02 0.17 -0.00 0.01 -0.01 -0.07 0.01 0.36 0.05 0.27 -0.18 0.06 0.06 -0.22 0.09 -0.31 -0.05 0.00 0.00 -0.01 -0.07 0.16 0.06 0.01 0.03 0.02 -0.01 -0.00 0.01 0.04 0.06 -0.05 0.00 -0.01 0.01 -0.14 -0.03 -0.00 0.10 -0.02 0.00 0.06 0.03 -0.09 -0.00 -0.01 0.00 0.18 0.01 -0.03 0.00 0.00 0.00 -0.02 -0.01 0.01 0.00 0.01 -0.00 -0.02 -0.03 0.35 -0.04 -0.30 -0.14 0.01 -0.00 0.00 0.08 0.03 -0.12 -0.24 -0.05 0.05 0.01 -0.00 -0.02 -0.10 -0.05 -0.03 -0.04 0.09 0.16 0.02 0.01 -0.02 -0.09 -0.03 0.10 -0.12 -0.15 0.10 -0.00 -0.01 -0.00 -0.03 0.00 -0.12 -0.02 0.02 0.04 -0.01 -0.01 0.01 -0.14 0.31 -0.18 0.35 0.01 -0.00 -0.00 0.00 0.00 -0.02 0.13 -0.11 0.07 -0.08 0.07 0.00 0.01 0.01 -0.01 -0.04 -0.06 -0.00 -0.05 -0.05 0.00 -0.01 -0.01 0.14 0.03 0.05 -0.01 -0.07 0.07 -0.14 0.13 0.14 -0.11 -0.03 -0.01 -0.01 0.00 -0.00 -0.05 0.09 -0.05 0.04 -0.09 0.27 0.01 -0.00 0.03 -0.06 0.08 -0.14 0.01 0.01 0.00 -0.14 -0.05 -0.01 -0.01 -0.15 -0.02 0.00 -0.22 -0.07 -0.01 -0.00 -0.00 0.08 -0.08 0.10 -0.01 0.00 -0.01 0.06 0.02 -0.22 0.01 -0.01 0.01 -0.21 0.07 -0.27 0.06 0.27 0.13 0.01 0.00 -0.00 -0.04 0.08 -0.11 -0.14 -0.12 0.00 0.01 -0.01 0.02 0.01 0.17 0.05 -0.09 0.03 -0.16 0.01 0.01 -0.00 -0.02 -0.01 0.03 -0.07 -0.08 0.07 -0.01 0.00 -0.01 0.00 -0.00 0.04 0.05 -0.01 0.07 -0.01 -0.01 0.00 -0.10 0.20 -0.15 0.24 0.11 0.05 -0.00 0.01 -0.00 0.02 0.06 0.07 0.07 -0.00 -0.08 0.00 -0.01 -0.00 -0.01 -0.01 0.02 -0.00 0.05 0.03 0.00 0.00 0.00 -0.12 -0.02 0.00 -0.06 0.06 -0.22 0.07 -0.09 -0.03 0.28 0.01 0.00 -0.01 -0.00 -0.01 0.04 -0.09 -0.18 -0.01 -0.14 0.04 -0.00 -0.00 0.00 -0.04 0.01 -0.04 0.01 0.01 -0.00 -0.00 -0.05 -0.00 0.14 0.03 0.01 -0.01 -0.04 0.01 0.01 0.01 0.01 -0.15 -0.09 0.14 -0.00 0.00 0.00 0.12 0.03 -0.12 -0.00 -0.01 0.00 -0.04 0.02 -0.12 0.07 0.10 0.05 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 0.01 -0.05 0.10 0.03 -0.00 -0.01 -0.05 0.01 -0.01 -0.00 -0.04 0.07 0.04 -0.02 -0.01 -0.06 0.02 -0.02 0.01 0.07 0.06 -0.11 -0.22 0.06 -0.11 -0.00 0.01 0.01 0.02 -0.07 0.01 -0.03 -0.11 -0.05 0.01 0.00 0.00 -0.06 -0.09 -0.19 -0.15 0.03 0.15 -0.00 0.00 0.01 -0.01 0.00 0.02 -0.02 -0.11 -0.14 -0.00 -0.01 -0.01 0.38 0.09 0.34 -0.06 -0.08 -0.03 -0.24 0.43 -0.07 0.07 0.07 -0.00 -0.01 -0.02 0.00 0.09 -0.20 -0.15 -0.03 0.12 -0.18 -0.02 -0.01 0.00 0.10 0.06 -0.01 0.01 -0.00 0.01 -0.12 -0.07 -0.00 0.06 0.00 0.01 0.07 0.14 -0.08 0.01 0.02 0.00 -0.24 -0.07 0.13 0.01 -0.00 0.00 -0.11 -0.03 0.09 -0.01 0.00 0.00 0.27 -0.05 -0.06 -0.16 0.05 0.03 -0.01 0.00 -0.00 0.20 -0.06 -0.06 -0.08 0.03 0.02 -0.02 0.01 0.01 0.08 -0.05 -0.01 0.07 -0.08 -0.04 0.02 -0.01 -0.00 -0.04 0.12 0.04 -0.08 -0.10 -0.02 -0.01 -0.00 -0.00 -0.04 -0.00 -0.07 0.02 0.01 0.07 -0.01 -0.00 0.01 -0.08 0.06 -0.21 0.23 0.09 0.04 0.01 0.01 -0.00 -0.05 -0.25 -0.10 -0.23 0.10 0.11 0.01 -0.01 -0.01 -0.00 0.02 0.05 0.01 0.08 0.05 0.00 0.01 -0.01 -0.19 -0.03 0.14 0.16 0.31 0.01 0.09 -0.11 -0.05 0.04 0.00 0.00 -0.01 -0.00 0.01 0.02 -0.03 -0.06 -0.01 -0.04 -0.03 -0.00 -0.00 0.02 0.06 0.11 -0.10 0.00 -0.00 -0.00 0.04 0.03 -0.00 -0.11 -0.15 -0.03 -0.02 -0.02 0.03 0.00 0.01 -0.00 -0.08 0.01 -0.01 -0.00 0.00 -0.01 0.06 0.01 0.11 -0.00 -0.00 -0.00 -0.08 0.01 0.02 0.06 -0.02 -0.01 -0.00 0.01 0.01 0.19 0.02 -0.18 -0.11 -0.12 -0.00 0.00 0.00 0.00 0.02 -0.02 -0.00 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.05 0.10 0.06 -0.01 0.01 -0.12 0.01 0.00 -0.02 -0.07 -0.04 -0.06 0.09 -0.02 0.06 0.00 0.01 -0.00 0.06 -0.07 0.13 -0.14 -0.04 -0.02 -0.01 0.01 -0.01 0.05 -0.15 0.24 -0.02 0.11 -0.17 -0.01 0.01 0.00 0.00 0.01 0.00 -0.01 -0.12 -0.12 0.01 -0.00 -0.02 0.04 0.00 -0.05 0.04 0.15 -0.06 -0.26 -0.01 0.65 0.08 -0.04 0.00 0.00 0.00 0.00 0.04 -0.08 -0.04 -0.03 -0.01 -0.16 0.03 0.01 -0.01 -0.10 -0.08 0.03 0.01 0.00 0.01 -0.14 -0.06 -0.00 -0.20 -0.03 -0.02 0.05 0.02 -0.08 0.00 0.01 -0.01 -0.09 -0.04 0.05 0.00 -0.00 -0.00 0.07 0.00 0.24 0.00 0.00 0.00 0.01 -0.01 0.05 -0.04 -0.03 -0.01 0.01 -0.00 0.00 -0.38 0.13 0.07 0.18 -0.12 -0.07 -0.00 0.01 -0.00 0.07 -0.09 -0.02 0.02 -0.01 0.01 -0.01 0.00 0.01 0.07 0.05 -0.08 -0.02 -0.02 0.04 -0.01 -0.01 -0.01 0.12 0.05 0.11 -0.05 0.04 0.06 -0.01 -0.01 0.00 -0.08 0.03 -0.23 0.24 0.10 0.05 -0.01 0.00 -0.01 0.08 -0.20 0.40 0.01 0.12 -0.24 -0.00 0.00 -0.01 0.00 0.04 0.05 -0.01 -0.05 -0.05 -0.00 -0.00 0.00 0.16 0.03 -0.01 -0.08 -0.17 0.03 -0.06 0.13 -0.05 -0.02 0.07 0.01 0.01 0.01 -0.01 0.02 -0.05 0.23 0.03 -0.07 0.18 0.01 0.00 0.00 -0.04 -0.00 -0.02 -0.00 -0.02 0.00 0.00 0.10 -0.01 -0.01 -0.02 -0.01 0.05 0.23 -0.02 -0.00 -0.00 -0.01 0.08 0.08 -0.12 -0.01 0.00 0.00 0.01 0.01 -0.28 -0.02 0.01 0.00 0.61 -0.11 -0.18 -0.16 0.10 0.05 0.01 -0.00 0.00 -0.06 0.03 -0.01 -0.02 -0.02 0.00 -0.01 -0.00 0.01 -0.06 0.15 0.03 0.12 -0.15 -0.12 0.00 0.00 -0.00 -0.01 0.01 0.01 -0.04 -0.05 0.03 -0.00 0.00 -0.00 -0.02 -0.01 -0.01 0.02 -0.01 -0.01 -0.00 -0.00 -0.00 -0.02 0.16 0.08 0.02 -0.06 -0.03 -0.00 0.00 -0.00 0.02 -0.06 0.10 -0.00 0.02 -0.04 0.02 -0.00 0.00 -0.12 -0.07 0.07 -0.02 0.06 -0.09 -0.00 -0.01 -0.00 0.06 0.01 -0.05 -0.08 -0.19 0.03 -0.08 0.03 0.14 -0.09 -0.04 -0.01 -0.00 0.01 0.01 0.00 -0.01 0.02 -0.00 -0.03 0.00 0.00 -0.00 -0.01 -0.09 -0.09 0.05 0.00 0.00 0.01 -0.09 -0.04 0.00 0.15 0.12 0.03 0.04 0.03 -0.05 -0.00 0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.05 0.01 0.06 0.00 -0.00 0.00 0.05 -0.01 -0.01 -0.09 0.03 0.02 0.01 -0.00 0.00 -0.32 0.07 0.15 0.26 -0.02 -0.06 -0.00 0.00 0.00 0.02 0.01 0.00 0.01 -0.01 -0.03 -0.02 0.01 -0.00 0.07 -0.10 -0.09 0.09 0.10 0.04 -0.01 0.00 -0.03 0.03 -0.01 0.09 0.09 0.00 0.12 -0.01 -0.00 0.00 -0.01 -0.15 -0.16 0.09 0.08 0.04 0.01 -0.01 0.00 -0.07 0.17 -0.34 -0.01 -0.12 0.24 0.00 0.00 0.00 -0.00 0.02 0.03 -0.00 -0.03 -0.04 0.01 0.00 -0.02 -0.09 -0.01 0.08 -0.04 0.08 -0.18 -0.14 -0.08 0.46 0.10 -0.19 -0.02 -0.00 0.01 0.01 0.02 -0.06 -0.04 -0.01 -0.02 -0.03 0.00 0.00 0.01 -0.10 0.00 -0.06 -0.00 -0.02 -0.01 0.13 0.12 -0.01 0.09 -0.01 0.00 -0.03 0.05 0.07 -0.01 0.00 0.01 -0.08 0.03 -0.03 -0.01 -0.01 -0.02 0.14 0.01 0.47 0.00 0.00 -0.01 0.03 -0.01 0.03 -0.06 -0.01 -0.00 0.01 -0.00 -0.00 -0.10 0.04 0.01 -0.05 -0.01 0.01 -0.00 0.01 0.01 0.16 -0.09 -0.02 -0.01 -0.01 -0.09 0.01 0.01 -0.01 -0.01 -0.02 0.02 -0.09 -0.11 0.11 -0.00 0.01 0.01 -0.03 -0.02 0.05 0.03 -0.05 -0.09 0.00 -0.01 -0.01 -0.04 0.47 0.32 -0.06 -0.19 -0.09 0.00 0.00 0.00 -0.04 -0.02 -0.13 -0.07 0.01 0.08 -0.01 -0.00 -0.01 0.07 0.11 0.06 0.01 -0.02 0.05 -0.00 0.00 0.00 -0.01 -0.00 -0.05 -0.15 -0.09 -0.22 0.04 -0.02 -0.05 0.25 -0.01 0.01 -0.00 -0.01 -0.01 0.07 -0.16 -0.08 -0.01 0.02 -0.04 0.00 -0.01 -0.02 0.05 -0.07 0.11 0.01 -0.01 -0.01 0.03 0.09 -0.01 -0.05 0.09 0.02 -0.03 -0.11 0.03 0.01 0.01 0.01 -0.17 -0.00 0.02 0.01 0.01 0.02 -0.12 -0.01 -0.36 -0.00 -0.00 0.00 -0.17 0.04 -0.01 0.16 -0.02 -0.01 0.00 -0.00 0.00 -0.22 0.08 0.05 0.19 -0.07 -0.06 0.01 -0.00 -0.01 -0.15 0.03 0.00 0.03 0.02 0.13 -0.00 0.01 -0.00 0.06 -0.02 -0.06 -0.05 -0.08 0.13 -0.01 0.01 -0.01 0.02 -0.01 0.12 0.05 -0.03 -0.03 0.00 -0.02 -0.01 -0.06 0.45 0.23 0.02 -0.14 -0.07 0.00 -0.01 0.00 -0.00 -0.07 0.01 -0.06 0.05 -0.02 -0.00 0.00 0.01 0.00 -0.07 -0.10 -0.00 -0.01 -0.00 0.01 0.00 -0.01 -0.08 -0.01 0.13 0.18 0.21 0.16 -0.03 -0.03 0.12 -0.17 -0.01 -0.01 -0.01 -0.02 0.01 -0.17 0.42 -0.34 -0.06 0.05 -0.32 -0.00 -0.00 -0.00 0.04 -0.01 0.04 -0.01 0.00 -0.02 0.12 -0.09 0.00 -0.09 -0.01 -0.00 -0.04 0.08 0.08 0.00 -0.01 -0.00 0.23 -0.22 0.27 0.01 -0.00 0.01 -0.09 -0.02 -0.07 -0.01 0.01 -0.00 0.31 -0.06 -0.02 0.01 -0.02 -0.02 -0.00 0.00 0.00 -0.03 0.03 -0.02 0.12 -0.07 -0.04 -0.01 -0.02 0.02 0.13 0.05 0.03 -0.10 0.03 -0.13 -0.01 0.00 0.00 0.03 -0.03 -0.03 0.01 0.01 0.04 -0.00 0.00 -0.00 0.01 -0.00 0.05 0.00 -0.01 -0.03 0.00 -0.00 0.00 -0.00 0.06 0.06 -0.02 -0.10 -0.05 -0.00 -0.00 0.01 0.02 0.16 0.00 0.13 -0.04 -0.08 0.00 0.00 0.00 -0.01 -0.03 -0.02 -0.00 -0.01 -0.02 0.00 -0.00 -0.00 0.02 0.00 0.05 0.07 0.13 0.02 -0.04 0.04 0.03 0.13 0.21 0.04 0.01 0.00 -0.00 0.02 -0.06 0.15 0.03 -0.01 0.14 -0.01 0.00 0.00 0.08 0.04 0.01 0.00 0.00 0.00 -0.03 -0.03 0.00 -0.04 -0.04 -0.00 0.01 -0.01 -0.02 -0.01 -0.00 -0.00 0.05 -0.02 0.02 -0.00 -0.00 -0.01 0.04 0.01 0.08 0.00 0.00 -0.00 -0.02 0.00 0.02 -0.05 -0.00 0.00 -0.04 0.01 0.02 0.34 -0.05 -0.19 0.50 -0.21 -0.17 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.02 -0.01 0.01 -0.01 -0.00 0.01 0.09 0.11 -0.12 -0.01 -0.00 0.02 0.00 0.01 0.00 -0.00 0.00 0.05 -0.03 0.00 -0.07 -0.01 0.01 0.02 -0.04 -0.01 -0.12 0.15 -0.33 -0.16 0.01 -0.02 0.02 -0.04 0.17 -0.22 -0.07 0.21 -0.31 0.00 -0.00 -0.00 0.00 0.02 0.02 0.00 0.01 0.02 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.02 -0.03 -0.03 0.01 0.00 -0.04 -0.01 -0.03 -0.01 0.00 -0.00 0.00 0.01 -0.05 0.07 0.00 -0.03 0.02 -0.00 0.01 -0.01 0.02 -0.05 0.09 -0.00 -0.01 -0.01 0.05 0.04 -0.00 -0.06 0.02 0.01 -0.02 -0.02 0.03 -0.01 0.00 -0.00 0.04 -0.04 0.05 -0.00 0.00 -0.00 0.03 0.01 0.02 -0.01 0.00 0.00 0.09 -0.02 0.00 0.10 -0.04 -0.03 -0.01 -0.00 -0.00 0.10 -0.06 0.02 -0.02 0.08 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.02 -0.00 0.00 -0.01 0.02 0.06 0.04 -0.05 0.06 0.06 -0.10 0.01 -0.03 -0.02 0.14 0.08 -0.01 -0.10 0.11 0.19 0.00 -0.03 -0.02 -0.02 0.24 0.16 -0.10 0.59 0.29 0.01 -0.02 0.02 -0.05 0.18 -0.26 -0.08 0.23 -0.32 -0.01 0.00 0.00 0.03 0.02 -0.03 -0.00 -0.06 -0.03 -0.00 0.00 -0.00 0.06 0.02 0.03 -0.01 0.00 -0.03 -0.03 0.04 0.01 0.02 0.01 0.00 -0.02 -0.03 -0.01 0.03 -0.09 0.25 0.08 -0.02 0.38 -0.01 -0.01 -0.00 0.09 0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.00 -0.02 0.01 -0.00 -0.01 -0.02 0.01 -0.01 0.00 -0.02 0.12 -0.08 0.09 -0.01 0.00 -0.03 0.08 0.01 0.23 -0.02 0.01 0.00 0.15 -0.03 0.00 0.20 -0.07 -0.04 -0.01 0.00 0.00 0.03 -0.01 -0.01 0.13 -0.04 -0.04 0.00 0.01 0.00 0.00 0.01 -0.00 0.03 -0.04 -0.06 -0.01 0.01 -0.00 0.03 -0.12 -0.03 0.05 0.06 0.05 0.00 -0.01 -0.00 0.07 0.03 0.07 -0.05 0.02 0.01 -0.00 -0.01 -0.00 -0.01 0.05 0.01 0.00 0.06 0.03 -0.00 0.01 -0.01 0.03 -0.05 0.15 0.10 -0.20 0.25 -0.01 0.01 0.00 0.07 0.05 -0.03 -0.01 -0.14 -0.07 -0.00 -0.00 0.01 0.15 0.02 -0.13 0.26 0.44 0.09 -0.02 0.11 -0.09 0.06 0.16 0.02 0.01 0.01 0.01 0.06 -0.16 0.20 -0.04 -0.07 -0.16 0.01 0.00 0.01 -0.06 -0.01 -0.02 0.01 0.01 -0.01 -0.08 -0.08 -0.01 0.00 -0.02 -0.00 -0.02 -0.11 -0.02 -0.01 0.02 -0.02 0.07 -0.17 0.24 0.00 0.01 0.01 0.03 0.01 -0.08 -0.04 0.01 0.01 0.24 -0.05 -0.02 0.61 -0.17 -0.11 0.01 -0.00 -0.00 -0.08 0.03 0.02 -0.13 0.02 0.04 -0.01 0.01 -0.01 -0.00 -0.05 -0.01 0.08 -0.06 0.05 0.01 -0.00 -0.00 -0.04 0.05 0.04 -0.04 -0.04 -0.01 -0.00 0.01 0.01 -0.06 -0.03 -0.02 0.05 -0.04 -0.05 -0.00 0.01 0.01 0.01 -0.11 -0.06 0.02 -0.14 -0.07 0.00 -0.00 0.00 -0.01 -0.01 -0.05 -0.03 0.05 -0.04 -0.03 0.01 0.01 0.14 0.02 -0.18 0.01 -0.10 0.09 -0.00 0.01 -0.00 -0.09 -0.01 -0.03 -0.13 -0.09 -0.17 0.07 -0.08 -0.03 0.06 -0.17 -0.02 0.01 -0.01 -0.02 0.03 -0.08 0.22 0.06 0.03 0.28 0.01 0.00 -0.01 -0.00 -0.08 0.10 -0.02 0.02 -0.01 0.16 -0.14 0.02 -0.07 0.05 0.00 -0.06 -0.01 0.09 -0.01 0.01 -0.02 0.17 -0.28 0.37 -0.01 -0.00 -0.02 0.02 0.00 0.14 0.02 0.00 -0.01 -0.07 0.01 0.07 -0.30 0.02 0.02 0.02 -0.00 -0.00 -0.24 0.07 0.07 -0.22 0.06 0.07 0.00 0.00 -0.01 -0.04 -0.01 -0.01 0.02 -0.00 0.02 0.01 -0.01 0.00 -0.06 0.08 0.06 -0.04 -0.04 -0.05 -0.00 0.01 0.00 -0.08 -0.04 -0.06 0.07 -0.05 -0.04 0.00 0.01 0.00 0.03 -0.07 0.02 -0.06 -0.11 -0.05 0.00 -0.01 0.01 -0.01 0.03 -0.05 -0.02 0.11 -0.19 0.01 -0.01 -0.01 -0.01 0.03 0.06 0.02 0.10 0.09 0.01 -0.00 -0.02 -0.13 -0.02 0.28 0.07 0.02 0.10 -0.02 -0.02 0.08 -0.12 0.08 -0.01 0.02 0.01 -0.01 0.04 -0.10 0.09 -0.01 0.00 -0.07 -0.00 0.00 0.01 -0.02 0.09 -0.12 -0.00 0.01 -0.01 0.07 -0.05 0.00 0.09 -0.05 -0.01 -0.04 -0.05 0.05 -0.00 0.01 -0.02 0.04 -0.16 0.21 0.00 0.00 0.01 -0.00 0.00 -0.03 0.00 0.00 -0.00 -0.02 0.00 0.03 -0.05 -0.03 -0.01 -0.02 0.00 0.01 0.28 -0.09 -0.07 0.24 -0.04 -0.07 -0.00 0.00 -0.01 0.01 -0.06 -0.02 0.03 -0.01 0.06 -0.02 0.01 -0.00 0.06 -0.14 -0.06 0.10 0.11 0.01 0.00 -0.01 -0.01 0.03 0.02 -0.01 -0.05 0.05 0.07 -0.00 -0.02 -0.01 -0.02 0.14 0.08 -0.03 0.14 0.07 -0.01 0.02 -0.02 0.05 -0.11 0.26 0.10 -0.21 0.25 -0.00 -0.01 -0.00 0.03 0.01 -0.01 0.02 0.09 0.13 0.00 0.01 -0.02 -0.18 -0.02 0.38 -0.16 -0.36 0.01 0.00 -0.07 0.10 -0.02 0.06 -0.00 -0.01 -0.01 0.02 0.06 -0.19 0.37 -0.08 -0.03 -0.30 0.00 -0.00 0.01 -0.02 0.01 -0.02 -0.01 0.00 -0.00 0.09 -0.04 0.01 -0.07 -0.05 -0.01 -0.03 -0.03 0.03 -0.02 0.01 -0.02 0.09 -0.06 0.07 0.01 0.01 0.03 -0.06 0.00 -0.34 0.02 0.00 -0.00 -0.12 0.02 0.06 -0.30 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.01 0.01 -0.02 0.10 -0.22 -0.06 0.07 -0.01 0.19 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.01 -0.01 0.00 -0.00 0.00 0.02 0.01 0.02 -0.02 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.04 -0.00 -0.03 0.06 0.02 0.00 0.00 -0.12 -0.07 0.05 -0.01 0.05 -0.05 -0.00 -0.01 0.01 0.17 0.02 -0.24 -0.04 0.15 -0.22 -0.04 0.09 -0.03 0.33 0.17 0.05 -0.01 -0.02 -0.02 -0.02 0.01 0.14 -0.00 -0.02 0.03 0.00 0.00 -0.01 0.01 -0.03 0.04 0.01 -0.01 0.01 -0.09 0.07 -0.01 -0.01 0.02 0.00 0.03 0.01 -0.04 -0.01 -0.02 0.01 0.00 0.24 -0.35 -0.00 0.01 0.00 -0.01 0.01 -0.03 -0.01 0.00 0.01 0.04 -0.01 -0.02 0.18 -0.04 -0.03 0.01 -0.00 0.00 -0.08 0.04 0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.15 -0.15 -0.03 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.04 0.01 0.01 0.01 -0.03 0.00 0.00 0.00 -0.06 -0.02 -0.10 0.03 -0.02 -0.01 -0.00 0.00 0.00 0.01 -0.07 -0.03 0.03 -0.03 -0.02 0.00 -0.01 0.01 -0.01 0.04 -0.05 -0.00 0.04 -0.08 -0.01 -0.01 -0.00 0.07 0.02 -0.05 0.02 0.06 0.13 0.01 0.00 -0.02 -0.15 -0.02 0.37 0.03 -0.03 0.08 -0.03 0.00 0.07 0.25 0.61 0.08 -0.00 0.00 0.00 0.00 -0.01 -0.08 0.01 0.06 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.02 0.01 -0.00 0.00 0.00 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 -0.03 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.02 -0.00 0.01 0.00 0.08 -0.01 -0.01 0.05 -0.03 -0.02 0.01 0.00 0.01 -0.12 0.07 -0.01 0.06 -0.10 -0.03 -0.00 -0.00 0.00 0.02 -0.01 -0.00 -0.00 -0.00 -0.02 -0.01 -0.01 0.01 0.01 -0.01 -0.01 0.20 0.25 -0.25 0.01 -0.00 0.01 -0.20 -0.04 -0.42 -0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.04 0.13 0.03 0.07 -0.01 0.01 -0.00 -0.00 -0.00 0.01 0.02 0.02 0.00 -0.01 0.01 0.00 -0.01 -0.02 -0.07 -0.03 0.03 0.07 0.38 0.48 -0.00 -0.02 -0.00 0.18 0.01 -0.17 0.03 0.08 -0.00 -0.09 0.11 0.02 -0.03 -0.11 -0.01 -0.00 0.00 0.00 -0.00 0.01 -0.02 0.01 0.05 0.04 -0.00 0.00 -0.00 0.01 0.00 0.01 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 -0.01 0.02 -0.03 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.01 0.00 0.08 -0.01 -0.01 0.05 -0.03 -0.02 -0.01 -0.00 -0.01 0.11 -0.07 0.01 -0.05 0.09 0.02 -0.00 0.00 0.00 0.04 -0.04 -0.01 -0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.22 -0.28 0.28 -0.01 -0.00 -0.02 0.24 0.05 0.44 -0.02 0.01 0.01 0.01 0.01 -0.01 0.05 -0.15 -0.02 -0.10 0.04 0.01 -0.00 0.00 0.00 -0.01 -0.03 -0.02 -0.01 0.01 -0.00 0.00 -0.01 -0.02 -0.06 -0.03 0.03 0.07 0.35 0.45 -0.00 -0.02 -0.01 0.18 0.02 -0.02 0.01 0.01 0.01 -0.14 0.10 0.13 -0.02 -0.01 -0.00 0.00 0.00 -0.00 -0.02 0.07 0.02 0.01 -0.03 0.11 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.03 -0.01 -0.01 0.00 -0.01 -0.04 -0.02 -0.00 0.14 0.78 -0.01 0.01 -0.00 -0.01 0.01 -0.09 0.12 -0.01 0.01 0.00 0.03 0.01 -0.10 0.00 -0.03 0.01 -0.29 0.05 -0.10 0.24 0.05 0.04 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.02 -0.02 -0.01 -0.00 0.01 0.00 0.19 -0.20 -0.04 -0.01 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.02 -0.03 0.03 0.00 -0.00 -0.00 -0.01 -0.00 -0.03 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.02 0.02 0.04 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.02 0.12 0.17 -0.00 -0.01 -0.00 0.06 0.01 -0.04 0.01 0.01 0.00 -0.04 0.03 0.03 -0.05 -0.08 -0.01 -0.01 0.00 -0.00 -0.01 0.02 -0.02 0.00 -0.04 0.06 -0.03 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 0.00 0.76 0.32 0.09 -0.01 -0.04 0.01 -0.00 0.00 -0.00 0.00 -0.02 0.03 -0.01 0.01 0.00 0.02 0.01 -0.09 0.00 0.00 0.00 0.02 -0.00 0.01 -0.04 -0.03 -0.01 -0.00 -0.01 0.01 -0.03 0.03 -0.03 0.08 0.03 -0.00 -0.01 0.00 0.00 0.17 -0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 -0.02 -0.08 -0.09 0.08 0.00 -0.00 0.00 -0.05 -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.04 0.01 -0.04 0.05 0.02 -0.03 -0.01 -0.00 0.05 -0.01 0.26 0.07 0.07 -0.28 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.03 -0.04 0.00 0.00 0.00 0.01 -0.00 -0.05 0.03 0.07 0.01 0.01 0.00 -0.02 0.07 -0.06 -0.01 0.00 0.01 -0.01 -0.02 0.05 -0.19 0.03 -0.12 0.29 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.16 -0.06 -0.02 -0.04 -0.22 0.00 0.01 0.00 0.01 -0.08 0.00 0.01 -0.02 0.02 0.00 0.08 0.04 -0.22 -0.00 0.01 0.00 0.10 -0.02 0.03 -0.08 -0.08 -0.04 -0.00 0.00 -0.01 0.03 -0.03 0.03 -0.07 0.03 0.02 -0.02 0.02 0.01 0.52 -0.50 -0.10 -0.02 0.00 -0.04 -0.00 -0.01 0.00 -0.01 0.01 0.01 0.09 0.11 -0.12 -0.00 0.00 -0.00 0.06 0.01 0.13 0.01 -0.01 -0.01 -0.00 -0.00 0.01 -0.03 0.06 -0.02 0.04 -0.07 -0.03 0.01 0.00 0.00 -0.01 0.01 -0.05 -0.02 -0.01 0.06 0.00 0.00 0.01 0.01 0.00 -0.01 -0.02 -0.08 -0.10 -0.00 0.00 0.00 -0.02 0.00 0.01 0.01 -0.04 0.06 0.02 -0.02 -0.01 -0.14 -0.13 -0.03 -0.00 -0.00 -0.00 0.00 -0.01 0.04 -0.01 0.03 -0.06 -0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.02 0.01 -0.00 0.22 0.09 0.03 0.03 0.10 -0.01 -0.00 -0.00 -0.00 0.02 0.00 -0.01 0.00 -0.00 -0.00 -0.02 -0.01 0.04 0.00 -0.00 0.00 -0.04 0.01 -0.02 0.04 0.02 0.01 -0.00 -0.00 -0.02 0.09 -0.10 0.09 -0.21 0.17 0.08 0.00 -0.00 -0.00 -0.10 0.10 0.02 0.00 0.00 0.01 -0.00 -0.02 0.01 -0.03 0.05 0.03 0.29 0.36 -0.38 -0.01 0.00 -0.02 0.23 0.05 0.47 0.03 -0.02 -0.02 -0.01 -0.01 0.02 -0.09 0.18 -0.07 0.16 -0.22 -0.09 -0.01 -0.01 -0.00 0.02 0.03 0.09 0.02 0.02 -0.09 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.04 0.05 -0.00 -0.00 -0.00 0.03 0.01 0.02 0.00 0.02 -0.01 -0.03 0.01 0.05 0.05 0.04 0.01 0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.01 -0.00 0.02 -0.05 0.01 -0.07 0.28 -0.45 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.29 0.62 0.23 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.02 -0.01 -0.00 -0.01 0.01 -0.02 0.06 -0.12 0.04 0.14 0.03 0.01 0.00 0.00 -0.07 -0.07 -0.01 -0.02 -0.00 -0.07 -0.00 -0.01 -0.01 -0.06 0.10 0.04 0.09 0.05 0.12 -0.01 -0.00 0.00 0.08 0.07 -0.04 0.06 -0.05 -0.03 -0.01 0.00 -0.00 0.02 -0.03 0.06 0.06 0.01 0.00 0.01 -0.01 -0.00 0.03 0.11 0.05 -0.10 0.06 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.03 0.02 -0.12 -0.01 0.01 -0.00 -0.12 0.07 0.01 0.00 -0.00 -0.00 -0.03 0.08 0.06 0.02 0.13 0.03 0.00 -0.01 0.00 -0.01 0.03 -0.05 0.01 -0.00 -0.01 -0.12 0.02 -0.02 -0.04 0.07 0.03 -0.06 0.00 0.15 0.01 -0.00 -0.01 -0.12 -0.02 0.02 -0.01 -0.01 -0.00 0.13 0.03 -0.01 -0.00 -0.01 -0.02 0.03 -0.04 0.19 0.05 0.17 0.07 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.01 0.00 -0.04 -0.03 -0.03 0.50 0.48 0.04 0.11 0.01 0.49 -0.00 -0.00 -0.00 -0.01 0.02 0.01 0.02 0.01 0.02 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.03 0.01 -0.03 0.01 0.01 -0.00 -0.01 0.01 0.13 0.06 -0.06 -0.07 0.16 -0.11 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.02 -0.07 0.11 -0.00 0.00 0.00 0.06 -0.00 0.00 0.07 -0.15 -0.06 0.01 -0.01 -0.04 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.03 0.03 0.00 0.01 0.00 0.03 -0.01 -0.03 -0.04 -0.23 0.38 0.18 0.37 0.19 0.51 0.00 0.00 -0.00 -0.03 -0.03 0.02 -0.02 0.02 0.02 -0.03 0.00 -0.02 0.11 -0.13 0.29 0.32 0.06 0.01 0.00 -0.00 -0.01 0.03 0.06 0.05 -0.07 0.02 0.03 0.00 0.01 -0.01 -0.08 -0.03 0.04 0.04 -0.11 0.06 -0.01 0.00 -0.00 0.05 0.01 0.02 0.02 -0.01 0.06 0.04 -0.06 -0.01 0.06 -0.03 -0.01 -0.01 0.00 -0.00 -0.01 0.01 0.02 0.00 -0.02 0.01 -0.00 0.00 -0.00 0.01 -0.02 0.03 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.06 -0.02 -0.01 0.00 0.02 0.00 -0.00 -0.00 -0.03 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.01 0.01 -0.04 -0.00 -0.03 -0.02 -0.01 -0.01 0.01 -0.00 0.06 -0.11 0.05 0.11 0.02 -0.01 -0.01 -0.01 0.09 0.10 0.01 0.02 0.00 0.09 0.00 0.01 0.01 0.04 -0.07 -0.04 -0.07 -0.03 -0.09 -0.04 -0.01 0.02 0.39 0.40 -0.25 0.36 -0.26 -0.14 -0.00 0.00 -0.00 0.02 -0.03 0.05 0.05 0.01 0.01 -0.00 0.00 0.00 -0.01 -0.03 -0.03 0.03 -0.02 -0.00 0.01 0.02 -0.02 -0.23 -0.10 0.11 0.12 -0.31 0.19 -0.01 0.01 -0.01 0.15 0.04 0.08 0.02 -0.02 0.08 0.09 -0.17 0.02 0.08 -0.04 -0.01 0.00 0.00 0.00 0.03 -0.08 -0.07 0.00 0.09 -0.02 -0.00 0.01 -0.00 0.01 -0.04 0.07 -0.01 0.00 0.01 0.16 -0.03 0.02 0.04 -0.11 -0.04 0.07 -0.02 -0.19 -0.01 0.00 0.01 0.10 0.01 -0.02 -0.00 -0.01 0.00 0.08 0.01 -0.03 -0.00 -0.00 -0.00 0.00 -0.01 0.04 0.01 0.03 0.02 -0.00 -0.01 0.00 0.00 0.04 -0.07 0.04 0.07 0.01 0.01 0.01 0.01 -0.09 -0.10 -0.01 -0.02 -0.00 -0.09 -0.00 -0.00 -0.00 -0.01 0.02 0.01 0.02 0.02 0.03 -0.03 -0.01 0.01 0.27 0.27 -0.15 0.22 -0.16 -0.09 -0.01 0.00 -0.01 0.04 -0.05 0.12 0.12 0.02 0.01 -0.00 0.00 0.00 -0.01 -0.04 -0.02 0.04 -0.02 -0.01 -0.01 -0.03 0.03 0.34 0.15 -0.17 -0.18 0.46 -0.30 0.01 -0.01 0.01 -0.08 -0.03 -0.07 -0.00 -0.00 0.00 -0.08 0.11 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.02 0.07 0.07 -0.01 -0.06 -0.01 -0.00 0.01 -0.00 0.01 -0.03 0.05 0.04 -0.01 -0.03 -0.48 0.09 -0.06 0.04 -0.08 -0.03 -0.25 0.06 0.64 0.01 -0.00 -0.00 -0.08 -0.03 0.03 0.01 0.01 0.00 -0.07 -0.01 -0.00 0.00 -0.00 -0.02 0.02 -0.02 0.15 -0.02 0.11 0.05 -0.00 -0.00 0.00 -0.00 0.02 -0.04 0.02 0.04 0.00 0.01 0.01 0.01 -0.17 -0.18 -0.02 -0.04 -0.00 -0.16 -0.00 -0.01 -0.01 -0.05 0.08 0.04 0.09 0.04 0.12 -0.01 -0.00 0.01 0.09 0.09 -0.06 0.07 -0.06 -0.03 0.01 -0.00 0.00 -0.02 0.02 -0.08 -0.09 0.00 0.01 0.00 -0.00 -0.00 0.01 0.02 0.02 -0.02 0.00 0.01 -0.00 -0.01 0.00 0.05 0.02 -0.02 -0.03 0.08 -0.05 0.00 -0.00 0.00 -0.04 -0.01 -0.03 -0.02 0.01 -0.05 -0.03 0.05 -0.00 -0.04 0.02 0.00 0.01 -0.01 0.01 -0.02 0.06 0.04 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.03 0.01 -0.00 -0.01 -0.07 0.03 -0.01 0.02 0.05 0.02 -0.07 -0.02 0.14 0.01 -0.00 -0.00 -0.07 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.01 -0.01 0.06 -0.00 0.04 0.02 0.00 0.02 -0.01 0.03 -0.11 0.17 -0.07 -0.18 -0.03 0.00 0.00 0.00 -0.03 -0.04 -0.01 -0.01 0.00 -0.03 0.01 0.01 0.02 0.10 -0.17 -0.08 -0.19 -0.08 -0.24 0.00 0.00 -0.00 -0.02 -0.03 0.04 -0.03 0.02 0.02 -0.04 0.01 -0.02 0.18 -0.24 0.48 0.55 0.04 -0.02 -0.00 0.01 0.01 -0.03 -0.09 -0.05 0.09 -0.03 -0.05 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.02 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.04 0.04 -0.14 0.00 0.01 -0.02 -0.14 0.07 0.01 0.00 -0.01 0.00 -0.05 0.13 0.11 0.04 0.50 -0.04 -0.00 0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.00 -0.00 -0.05 0.01 -0.01 0.03 -0.02 -0.01 -0.02 -0.00 0.06 0.01 -0.01 -0.01 -0.16 -0.02 0.02 -0.03 -0.03 0.01 0.48 0.08 -0.11 0.01 0.01 0.02 -0.03 0.04 -0.26 -0.08 -0.25 -0.10 0.00 0.01 -0.00 0.01 -0.06 0.11 -0.04 -0.13 -0.03 0.01 0.00 0.00 -0.09 -0.05 0.00 -0.02 -0.00 -0.07 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 -0.00 0.02 -0.00 0.00 0.00 -0.01 0.01 -0.03 0.02 -0.01 0.00 0.00 -0.00 0.00 -0.02 0.02 -0.05 -0.06 -0.01 0.00 0.00 -0.01 -0.01 0.03 0.09 0.06 -0.09 0.04 0.04 -0.00 -0.00 0.01 0.06 0.03 -0.03 -0.04 0.03 -0.07 -0.02 0.01 -0.01 0.26 0.06 0.10 -0.02 0.04 -0.09 0.13 -0.25 0.04 -0.08 0.08 0.01 -0.00 0.00 -0.00 0.11 -0.31 -0.25 0.02 0.24 -0.01 0.00 -0.00 0.00 -0.00 0.03 -0.04 0.01 -0.00 -0.01 -0.08 0.02 -0.01 -0.04 0.05 0.03 -0.04 0.05 0.11 -0.03 0.02 0.02 0.39 0.06 -0.08 -0.01 -0.02 0.01 0.24 0.04 -0.08 -0.00 -0.01 -0.01 0.00 -0.02 0.15 0.04 0.14 0.06 0.00 -0.01 0.01 -0.03 0.09 -0.15 0.05 0.16 0.03 0.00 0.00 0.00 -0.00 -0.05 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.03 0.03 0.01 0.01 0.00 -0.00 -0.09 -0.09 0.05 -0.06 0.05 0.03 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.02 -0.01 -0.00 -0.01 0.02 0.02 -0.11 -0.31 -0.20 0.32 -0.13 -0.16 0.00 0.00 -0.00 -0.02 -0.01 0.02 0.00 -0.05 0.01 -0.02 0.01 -0.00 0.17 0.04 0.06 0.01 -0.00 0.03 0.09 -0.17 0.02 0.02 -0.01 0.00 0.02 -0.01 0.01 -0.05 0.17 0.12 0.01 0.00 0.01 -0.00 0.01 0.00 0.00 -0.02 0.04 -0.00 0.00 0.00 0.01 -0.00 0.00 0.04 -0.08 -0.02 0.01 -0.02 -0.02 0.02 -0.01 -0.01 -0.26 -0.02 0.03 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.01 0.01 0.02 -0.03 0.04 -0.26 -0.07 -0.24 -0.10 -0.00 -0.03 0.01 -0.04 0.14 -0.25 0.09 0.27 0.05 -0.00 -0.01 -0.00 0.05 0.09 0.01 0.01 -0.00 0.05 -0.00 -0.01 -0.00 -0.02 0.04 0.02 0.07 0.05 0.05 0.00 -0.00 -0.00 -0.01 -0.03 0.03 -0.03 0.02 0.01 0.00 -0.00 0.00 -0.01 0.02 -0.01 -0.01 0.00 0.00 -0.01 0.02 0.02 -0.09 -0.29 -0.19 0.31 -0.13 -0.14 -0.00 0.00 -0.00 -0.02 -0.01 0.01 0.02 -0.04 0.02 0.02 -0.01 0.00 -0.20 -0.05 -0.07 -0.07 0.07 -0.27 -0.09 0.18 -0.03 -0.27 0.13 0.03 -0.03 0.02 -0.02 -0.03 0.09 0.12 -0.01 -0.01 -0.02 0.00 -0.00 -0.00 0.01 0.02 -0.03 0.01 -0.00 -0.01 -0.07 0.02 -0.01 -0.09 0.03 0.01 -0.05 -0.00 0.11 0.01 -0.00 -0.01 -0.13 -0.03 0.04 0.00 0.00 0.00 -0.02 -0.01 0.01 0.01 0.01 0.01 -0.03 0.03 -0.19 -0.07 -0.18 -0.08 -0.00 -0.03 0.01 -0.06 0.16 -0.28 0.08 0.32 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 -0.00 -0.00 -0.02 0.00 0.00 0.01 0.05 -0.08 -0.04 -0.08 -0.03 -0.13 0.01 0.00 -0.01 -0.11 -0.12 0.09 -0.09 0.07 0.04 -0.01 0.00 -0.01 0.05 -0.07 0.14 0.17 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.04 -0.01 -0.04 0.01 0.03 -0.00 -0.01 0.01 0.08 0.03 -0.04 -0.05 0.11 -0.08 -0.01 0.00 -0.00 0.07 0.02 0.01 0.11 -0.12 0.42 0.03 -0.06 0.00 0.42 -0.23 -0.04 0.01 -0.01 0.01 -0.08 0.23 0.20 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.01 -0.02 0.04 -0.01 0.00 0.01 0.14 -0.03 0.02 0.03 -0.08 -0.03 0.07 -0.06 -0.21 0.02 -0.01 -0.01 -0.32 -0.04 0.05 0.00 0.00 0.00 -0.01 -0.00 -0.02 -0.01 -0.02 -0.03 0.08 -0.07 0.41 0.13 0.37 0.16 -0.00 -0.02 0.01 -0.04 0.12 -0.20 0.06 0.22 0.05 0.01 0.01 0.00 -0.11 -0.14 -0.02 -0.03 0.00 -0.11 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.00 -0.03 0.00 0.00 -0.00 -0.07 -0.07 0.03 -0.04 0.03 0.02 0.00 -0.00 0.00 -0.01 0.02 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.02 0.01 -0.02 0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.02 0.00 -0.02 0.01 -0.01 0.26 0.06 0.09 -0.03 0.05 -0.12 0.12 -0.23 0.03 -0.10 0.07 0.01 -0.01 0.01 -0.01 -0.04 0.12 0.12 -0.02 -0.23 0.01 0.00 -0.01 -0.00 -0.01 0.05 -0.08 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.06 0.16 0.06 0.01 -0.02 -0.02 0.01 -0.00 -0.01 -0.20 -0.02 0.03 0.01 0.02 -0.01 -0.22 -0.04 0.06 0.00 0.00 0.00 -0.00 0.01 -0.05 -0.02 -0.05 -0.02 0.00 0.03 -0.01 0.04 -0.15 0.26 -0.08 -0.29 -0.06 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.05 0.07 0.04 0.09 0.05 0.12 -0.00 -0.00 0.00 0.02 0.04 -0.05 0.04 -0.03 -0.01 0.01 -0.00 0.00 -0.03 0.04 -0.07 -0.08 -0.00 0.01 -0.01 0.02 0.02 -0.10 -0.29 -0.21 0.32 -0.12 -0.18 -0.00 -0.01 0.01 0.10 0.04 -0.05 -0.06 0.16 -0.08 -0.02 0.01 -0.01 0.26 0.06 0.08 0.03 -0.04 0.13 0.11 -0.22 0.04 0.13 -0.08 -0.01 0.02 -0.01 0.01 0.04 -0.14 -0.14 -0.02 -0.31 0.04 -0.00 0.01 0.00 0.00 -0.03 0.05 0.00 -0.00 -0.00 -0.05 0.01 -0.01 0.06 -0.09 -0.03 -0.03 0.03 0.08 -0.01 0.01 0.01 0.21 0.03 -0.04 0.02 0.02 -0.01 -0.29 -0.05 0.09 0.01 0.01 0.01 -0.04 0.03 -0.19 -0.06 -0.18 -0.07 0.00 -0.01 0.00 -0.03 0.07 -0.12 0.04 0.12 0.03 -0.01 -0.00 -0.00 0.09 0.10 0.01 0.02 -0.00 0.08 0.00 0.00 0.00 0.02 -0.03 -0.02 -0.04 -0.02 -0.05 0.00 0.00 -0.00 -0.05 -0.05 0.02 -0.02 0.02 0.02 -0.00 0.00 -0.00 0.01 -0.02 0.02 0.03 -0.00 -0.00 0.00 -0.01 -0.01 0.04 0.11 0.10 -0.13 0.04 0.07 0.00 -0.01 0.01 0.11 0.04 -0.06 -0.07 0.18 -0.09 -0.03 0.01 -0.01 0.36 0.08 0.11 -0.06 0.09 -0.26 0.15 -0.30 0.04 -0.25 0.14 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 -0.05 0.01 -0.02 -0.00 -0.00 -0.05 -0.00 0.06 -0.17 0.72 -0.14 0.32 0.00 0.00 0.00 -0.00 -0.06 -0.04 0.00 0.00 0.00 0.01 -0.03 -0.00 0.00 -0.00 -0.01 0.02 0.06 0.01 0.01 -0.04 0.09 -0.00 -0.00 0.00 0.01 0.02 0.01 -0.01 0.01 -0.03 -0.00 0.00 -0.01 0.01 -0.03 0.16 0.01 0.01 -0.00 -0.01 0.01 0.00 -0.02 -0.00 -0.01 0.20 -0.22 -0.06 0.01 -0.01 -0.00 -0.08 0.11 0.03 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.08 0.01 -0.01 0.01 -0.01 0.02 0.00 0.00 0.00 0.02 -0.00 -0.01 -0.02 -0.03 -0.02 0.02 0.00 -0.01 0.02 -0.02 0.01 -0.37 -0.07 0.10 0.00 -0.00 0.00 -0.01 0.05 -0.00 -0.02 0.01 0.01 -0.04 -0.02 -0.01 0.00 0.00 -0.03 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.02 0.01 -0.02 -0.02 -0.02 0.00 -0.01 -0.00 -0.00 -0.02 0.01 -0.13 0.39 0.30 -0.06 0.14 0.00 0.00 0.00 -0.00 -0.04 -0.03 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.02 0.00 0.01 -0.02 0.04 0.00 0.00 -0.00 -0.02 -0.04 -0.02 0.02 -0.02 0.06 0.00 -0.00 0.00 -0.00 0.01 -0.06 -0.00 -0.00 0.00 0.03 -0.03 -0.01 0.04 0.00 0.03 -0.48 0.52 0.14 -0.01 0.02 0.00 0.20 -0.25 -0.07 0.01 0.02 -0.01 0.00 -0.00 0.01 -0.04 -0.00 0.01 -0.02 0.05 -0.08 -0.00 -0.00 -0.00 -0.02 0.00 0.01 0.04 0.06 0.04 0.01 0.00 -0.00 0.01 -0.01 0.01 -0.20 -0.04 0.06 0.00 -0.00 0.00 -0.01 0.02 0.00 0.02 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.03 0.00 -0.00 0.00 0.08 0.03 -0.00 -0.07 0.01 0.02 0.00 -0.00 0.01 -0.00 0.01 0.01 0.01 -0.00 0.01 0.00 0.00 0.02 -0.00 0.05 -0.14 -0.20 0.04 -0.09 -0.01 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 0.00 0.01 -0.08 0.01 -0.00 -0.00 0.00 0.01 0.04 0.00 -0.00 0.02 -0.03 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 0.02 -0.00 0.01 -0.06 0.03 -0.15 0.89 0.04 0.04 -0.02 0.01 -0.01 -0.00 0.01 -0.00 0.01 -0.13 0.15 0.04 -0.00 0.00 0.00 0.02 -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.00 0.00 -0.00 0.01 -0.02 -0.00 0.00 -0.00 0.02 -0.00 -0.01 0.00 0.00 0.00 0.01 0.00 -0.00 0.01 -0.01 0.01 -0.16 -0.03 0.05 0.00 -0.00 0.00 -0.00 0.02 0.00 -0.02 0.01 0.01 -0.02 -0.01 -0.00 -0.00 0.01 -0.04 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.05 0.00 0.02 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.02 0.00 -0.01 -0.00 -0.00 -0.02 0.00 -0.05 0.17 0.34 -0.06 0.15 -0.00 0.00 0.00 0.00 -0.02 -0.01 0.00 -0.00 -0.00 -0.01 0.04 -0.00 -0.00 -0.00 0.00 0.02 0.05 0.01 0.00 0.02 -0.04 0.00 0.00 0.00 -0.01 -0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 -0.05 0.29 0.01 0.02 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.06 -0.07 -0.02 -0.01 0.01 0.00 0.10 -0.13 -0.04 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.05 -0.01 0.02 -0.04 0.04 -0.02 0.78 0.14 -0.22 -0.00 0.00 -0.00 0.03 -0.09 0.00 0.01 -0.00 -0.00 0.07 0.03 0.02 0.00 0.00 -0.01 -0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.05 0.02 -0.04 -0.04 0.01 -0.00 0.00 0.00 -0.00 0.01 0.02 -0.26 0.80 -0.11 0.02 -0.05 -0.00 -0.00 -0.00 0.00 0.02 0.02 -0.00 0.00 0.00 0.00 -0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.02 -0.03 -0.02 -0.02 0.02 -0.06 -0.00 0.00 -0.01 0.01 -0.03 0.16 0.01 0.01 -0.00 -0.02 0.02 0.00 -0.02 0.00 -0.02 0.26 -0.29 -0.07 0.01 -0.01 -0.00 -0.09 0.12 0.04 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.03 0.00 -0.01 0.01 -0.02 0.03 0.00 -0.00 -0.00 -0.07 0.01 0.03 0.02 0.03 0.03 0.01 0.00 -0.00 0.01 -0.01 0.01 -0.18 -0.03 0.05 0.00 -0.00 0.00 -0.00 0.01 0.00 0.05 -0.03 -0.02 -0.02 -0.01 -0.01 -0.00 0.01 -0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.06 0.08 -0.01 0.04 0.00 0.00 0.00 -0.00 -0.02 -0.02 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.06 0.03 -0.01 0.02 -0.04 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.02 -0.02 -0.01 0.02 0.00 0.02 -0.26 0.28 0.07 0.03 -0.04 -0.01 -0.53 0.68 0.20 -0.02 -0.06 0.02 0.00 0.00 -0.00 -0.04 -0.00 0.01 0.00 -0.02 0.03 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.02 0.03 0.02 -0.01 -0.00 0.00 -0.01 0.01 -0.00 0.16 0.03 -0.04 0.00 0.01 0.00 0.02 -0.06 0.00 0.03 -0.02 -0.02 -0.04 -0.03 -0.02 -0.00 0.00 0.00 -0.01 0.01 -0.05 -0.18 -0.07 -0.00 0.08 -0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.04 -0.01 0.02 0.01 -0.01 -0.01 0.01 0.23 0.17 -0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.03 0.01 -0.00 0.02 -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.06 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.07 0.01 -0.02 -0.00 0.02 -0.04 -0.00 -0.00 0.00 0.04 -0.00 -0.01 0.00 0.01 0.01 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.08 -0.01 0.02 -0.00 0.03 -0.00 0.09 -0.42 0.01 0.14 -0.07 -0.07 -0.01 0.01 -0.00 -0.01 -0.12 0.79 0.01 -0.00 -0.02 -0.16 -0.07 -0.00 0.21 -0.03 -0.05 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.02 0.02 -0.00 0.01 0.01 -0.01 -0.01 0.01 0.22 0.16 -0.01 0.00 0.00 0.00 -0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.02 0.00 0.00 0.00 -0.02 -0.05 -0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.05 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.02 0.01 0.00 -0.00 -0.00 -0.02 0.03 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.08 0.02 -0.02 -0.00 -0.01 0.03 0.00 0.00 0.00 -0.02 0.00 0.01 -0.01 -0.02 -0.01 -0.01 -0.00 0.00 -0.01 0.01 -0.01 0.10 0.01 -0.03 0.01 -0.05 0.00 -0.16 0.81 -0.03 -0.11 0.06 0.04 -0.09 -0.07 -0.04 -0.00 -0.04 0.31 0.01 -0.01 0.02 -0.18 -0.08 -0.01 -0.15 0.02 0.04 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.01 -0.04 0.03 -0.01 0.01 0.01 -0.03 -0.03 0.02 0.60 0.44 0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.03 0.00 0.00 -0.00 -0.01 -0.02 -0.01 0.01 -0.01 0.03 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.04 0.05 0.01 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.00 0.29 0.08 -0.08 -0.00 -0.03 0.06 0.02 0.00 -0.00 -0.27 0.03 0.08 -0.02 -0.03 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.03 -0.16 0.01 -0.11 0.05 0.05 0.02 0.02 0.01 0.01 0.05 -0.36 -0.00 0.00 -0.00 -0.04 -0.01 0.00 0.05 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.10 0.01 -0.05 0.00 0.00 0.00 -0.00 -0.02 -0.02 0.00 -0.02 0.00 -0.06 0.26 0.01 -0.01 0.01 -0.05 0.05 0.22 0.00 0.04 -0.40 0.83 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.05 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.04 0.01 -0.01 -0.00 0.01 -0.02 -0.00 0.00 0.00 0.02 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.02 -0.01 0.00 -0.00 0.03 -0.00 0.00 0.01 -0.36 -0.14 0.00 0.09 -0.01 -0.02 0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.02 -0.10 0.01 -0.00 0.01 0.02 0.01 -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.02 0.10 0.01 -0.00 0.01 -0.02 0.00 -0.01 0.01 0.03 0.06 0.03 -0.04 0.04 -0.18 -0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.06 -0.06 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.02 -0.00 0.01 -0.39 -0.11 0.11 -0.00 0.15 -0.30 0.00 -0.03 -0.02 -0.36 0.03 0.09 0.31 0.42 0.22 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.07 -0.04 -0.03 -0.07 -0.04 -0.03 -0.00 0.02 -0.10 -0.01 0.01 0.00 0.20 0.08 0.00 0.16 -0.02 -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.02 -0.07 -0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.01 -0.08 -0.06 -0.01 -0.00 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 -0.01 -0.07 -0.01 -0.00 0.01 -0.01 0.00 -0.01 0.02 0.04 0.08 0.05 -0.07 0.07 -0.29 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.04 0.04 0.01 -0.00 0.00 0.00 0.04 -0.06 -0.01 0.00 0.00 0.00 -0.03 0.01 -0.02 0.41 0.12 -0.12 0.00 -0.22 0.44 -0.01 -0.03 -0.02 -0.14 0.01 0.03 0.28 0.39 0.21 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.03 -0.00 0.16 -0.08 -0.07 0.07 0.05 0.03 -0.00 -0.00 0.03 -0.04 0.02 0.03 -0.06 -0.02 0.00 0.47 -0.06 -0.11 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.03 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.06 0.04 -0.03 -0.01 0.01 -0.04 0.15 0.01 0.00 -0.00 0.00 -0.01 -0.02 0.00 -0.00 0.03 -0.05 -0.01 -0.01 -0.02 0.10 0.22 0.12 0.03 -0.04 0.13 -0.00 0.00 -0.00 -0.00 -0.01 0.06 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.02 -0.02 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.01 0.02 0.02 0.01 -0.09 0.02 0.03 -0.18 -0.26 -0.14 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 -0.00 0.56 -0.28 -0.24 -0.04 -0.02 -0.02 -0.01 0.04 -0.19 -0.01 0.00 0.00 0.64 0.25 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 0.06 -0.01 0.03 -0.04 -0.03 -0.01 -0.01 0.28 0.21 0.00 -0.00 0.00 -0.01 0.03 -0.00 0.00 0.02 -0.00 -0.06 -0.26 -0.03 0.01 -0.03 0.08 0.00 -0.00 0.00 0.02 0.05 0.03 -0.03 0.02 -0.10 0.00 -0.00 0.00 0.00 0.01 -0.03 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.03 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 -0.01 0.02 -0.08 -0.03 0.03 -0.01 0.19 -0.38 -0.01 -0.01 -0.00 0.09 -0.01 -0.03 0.09 0.13 0.07 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.04 0.00 -0.01 0.01 0.01 0.01 -0.00 0.04 0.00 0.08 -0.04 -0.04 -0.19 -0.12 -0.08 -0.00 -0.00 0.03 0.01 -0.01 -0.01 0.08 0.03 -0.00 0.45 -0.07 -0.10 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.03 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.03 0.02 -0.02 -0.03 0.01 -0.11 0.49 0.01 0.00 0.01 0.01 -0.04 -0.18 -0.02 -0.00 0.05 -0.09 0.01 0.02 -0.01 -0.15 -0.33 -0.19 0.07 -0.06 0.29 -0.00 0.00 -0.00 -0.00 -0.02 0.07 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.02 -0.02 -0.00 0.00 -0.00 -0.00 -0.04 0.06 0.01 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.10 -0.03 0.03 0.00 -0.01 0.02 -0.00 -0.01 -0.00 -0.05 0.00 0.01 0.07 0.10 0.05 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.06 -0.01 0.01 -0.01 -0.00 -0.01 0.02 -0.12 0.00 -0.24 0.12 0.11 0.20 0.13 0.08 0.01 -0.00 -0.03 -0.01 0.01 0.00 0.06 0.03 0.00 -0.12 0.02 0.03 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.06 -0.04 0.01 -0.02 -0.00 0.01 0.01 -0.01 -0.14 -0.10 0.00 0.01 -0.00 0.05 -0.22 -0.01 -0.00 -0.01 -0.00 0.02 0.09 0.01 0.00 -0.01 0.02 0.00 0.03 -0.02 -0.15 -0.32 -0.19 0.14 -0.13 0.57 -0.00 -0.00 0.00 0.00 0.01 -0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 0.03 -0.03 -0.01 0.00 -0.00 -0.00 -0.04 0.05 0.01 -0.01 -0.01 0.00 -0.02 -0.01 0.01 0.28 0.08 -0.08 -0.01 0.06 -0.11 0.01 -0.01 -0.01 -0.23 0.02 0.06 0.11 0.15 0.08 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 0.00 -0.01 0.01 0.01 0.01 -0.00 0.03 0.00 0.22 -0.11 -0.10 -0.21 -0.13 -0.09 -0.01 -0.00 0.04 0.01 -0.01 -0.00 -0.18 -0.07 0.00 0.11 -0.02 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.00 -0.00 0.02 -0.05 0.01 -0.03 0.01 0.02 0.01 -0.00 -0.17 -0.13 -0.00 -0.02 0.00 -0.07 0.34 0.01 0.00 -0.00 0.01 -0.01 -0.02 0.00 -0.01 0.07 -0.16 0.00 -0.01 0.01 0.04 0.08 0.05 -0.04 0.04 -0.17 -0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.02 -0.03 -0.01 -0.00 0.00 -0.00 -0.03 -0.02 0.03 0.44 0.12 -0.12 -0.02 0.14 -0.28 -0.00 0.00 0.00 0.08 -0.01 -0.02 -0.03 -0.04 -0.02 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.00 0.03 0.02 0.01 0.03 -0.10 0.01 -0.20 0.10 0.09 -0.43 -0.27 -0.18 0.01 0.01 -0.07 0.01 -0.00 0.01 0.12 0.04 -0.00 0.45 -0.04 -0.10 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.03 0.01 -0.02 -0.01 -0.01 -0.00 0.00 0.06 0.04 -0.03 0.03 0.01 0.07 -0.38 -0.01 -0.01 -0.04 -0.00 0.13 0.58 0.06 -0.01 0.01 -0.05 0.00 0.00 0.01 -0.04 -0.09 -0.05 -0.03 0.03 -0.11 -0.00 -0.00 0.00 0.00 0.01 -0.05 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.02 0.01 0.01 0.01 -0.00 -0.01 -0.01 0.02 0.15 0.04 -0.04 -0.01 0.10 -0.21 -0.02 -0.00 0.00 0.24 -0.03 -0.07 0.02 0.04 0.02 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.02 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.10 0.00 -0.10 0.05 0.05 0.15 0.09 0.06 0.01 0.02 -0.13 -0.01 0.00 0.02 -0.18 -0.08 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.02 0.02 -0.00 0.01 0.01 -0.01 -0.01 0.01 0.16 0.12 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.01 0.02 0.01 -0.12 -0.26 -0.14 -0.00 0.01 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.03 -0.04 -0.01 -0.01 -0.02 0.01 0.01 0.01 -0.02 -0.20 -0.05 0.05 0.01 -0.14 0.29 -0.04 -0.01 0.01 0.59 -0.07 -0.16 0.09 0.15 0.09 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 -0.00 0.02 0.02 0.01 0.02 -0.04 0.00 0.17 -0.08 -0.07 -0.32 -0.20 -0.14 0.00 0.03 -0.18 0.01 -0.01 -0.01 0.27 0.10 -0.00 0.08 -0.01 -0.02 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.00 -0.01 0.03 0.01 -0.00 0.01 -0.02 -0.01 -0.00 -0.01 0.05 0.04 -0.00 -0.00 0.00 -0.02 0.08 0.00 -0.01 -0.03 0.00 0.10 0.43 0.05 -0.01 0.03 -0.09 -0.01 -0.01 -0.02 0.09 0.20 0.10 0.04 -0.05 0.17 -0.00 -0.00 0.00 0.00 0.01 -0.04 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 -0.05 -0.01 -0.01 -0.02 0.01 0.02 0.02 -0.03 -0.27 -0.07 0.07 0.01 -0.17 0.34 0.02 0.00 -0.00 -0.28 0.03 0.08 -0.02 -0.04 -0.02 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.02 0.02 0.01 0.02 -0.08 0.01 -0.21 0.10 0.09 -0.36 -0.23 -0.15 0.00 -0.01 0.07 -0.01 0.01 0.00 0.13 0.05 0.00 -0.29 0.02 0.07 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.01 -0.05 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.02 0.02 0.02 -0.03 -0.00 -0.08 0.42 0.01 -0.00 -0.03 0.01 0.09 0.41 0.05 -0.01 0.07 -0.18 0.01 0.02 0.03 -0.16 -0.36 -0.19 -0.08 0.09 -0.34 -0.00 -0.00 0.00 0.00 0.01 -0.03 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.03 0.03 0.01 0.00 -0.00 -0.00 -0.01 0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.01 0.01 -0.00 0.03 -0.05 0.01 0.01 0.00 -0.13 0.02 0.04 -0.09 -0.13 -0.07 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.05 -0.01 0.01 -0.00 -0.01 -0.00 -0.02 0.11 -0.01 0.24 -0.12 -0.11 0.07 0.04 0.03 -0.01 -0.00 0.05 -0.00 0.00 0.00 -0.02 -0.01 -0.00 -0.25 0.02 0.06 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.04 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.01 0.08 0.06 0.02 -0.02 -0.00 -0.07 0.35 0.01 -0.00 -0.02 0.01 0.06 0.28 0.03 -0.01 0.06 -0.14 -0.02 -0.02 -0.04 0.16 0.36 0.19 0.09 -0.10 0.38 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 0.04 -0.03 -0.01 0.00 -0.00 -0.00 -0.01 0.02 0.01 0.01 0.01 -0.00 -0.01 -0.00 0.01 0.10 0.03 -0.02 -0.00 0.05 -0.10 -0.03 -0.01 -0.00 0.34 -0.04 -0.09 0.16 0.23 0.13 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.05 -0.00 0.01 -0.01 -0.02 -0.00 -0.03 0.13 -0.01 0.05 -0.02 -0.02 0.20 0.12 0.08 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.06 -0.08 0.07 0.99 0.00 -0.00 0.00 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.02 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.00 -0.03 -0.00 0.00 0.00 -0.02 -0.05 0.02 -0.05 0.02 0.02 0.44 0.83 -0.33 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.05 0.04 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 0.04 -0.01 -0.05 -0.00 -0.04 0.73 0.08 0.66 0.02 -0.04 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 0.03 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 0.04 -0.05 0.03 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.00 0.00 0.00 -0.00 -0.01 -0.03 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 -0.04 0.02 -0.02 -0.01 -0.05 0.63 0.69 -0.20 0.00 0.00 0.00 -0.02 -0.00 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 -0.15 0.18 -0.12 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.08 0.16 0.13 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 0.01 -0.16 -0.18 0.05 -0.00 -0.00 -0.00 0.05 0.01 0.05 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.04 0.02 -0.53 0.65 -0.41 -0.03 -0.03 0.02 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.04 -0.04 -0.36 0.71 0.55 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.04 0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.07 0.07 -0.02 0.00 0.00 0.00 -0.06 -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.03 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.11 -0.14 0.09 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 298.150 1.00000 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 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 15.99491 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 1.00783 1.00783 252.14791 4510.25788 7410.85722 7600.29583 1.0 8.7E-4 -6.4E-4 -8.9E-4 0.99983 -0.01842 6.2E-4 0.01842 0.99983 asymmetric 1 0.01920 0.01169 0.01140 0.40014 0.24353 0.23746 944739.7 61.65 70.41 75.49 82.31 85.87 95.11 103.58 105.26 116.06 120.07 127.28 145.19 154.16 167.37 207.90 224.49 238.61 250.81 254.55 262.89 269.05 271.36 281.48 309.12 316.80 323.48 333.27 341.74 414.82 429.11 432.49 439.69 443.53 452.81 455.03 464.43 472.27 480.72 497.22 499.51 502.64 510.01 672.88 684.48 690.05 713.25 716.77 728.96 794.53 798.96 830.44 851.11 869.30 891.86 913.38 934.19 945.98 965.52 973.51 996.68 1003.89 1032.51 1043.84 1069.04 1095.02 1109.52 1148.53 1173.43 1190.13 1222.82 1303.93 1362.28 1438.23 1458.06 1523.89 1536.09 1584.24 1607.67 2358.91 2362.47 2371.29 2377.93 2385.58 2402.09 2424.37 2437.83 2441.48 2455.53 2462.79 2480.59 2489.15 2516.76 4465.69 4512.78 4519.31 4540.03 4551.70 4617.40 4969.22 5063.60 5100.75 5126.60 5152.83 5159.16 5161.73 5167.01 5194.81 5205.19 5218.51 5244.96 5256.66 5265.40 5270.20 5273.18 5571.29 5577.52 5582.83 5583.62 5584.17 5584.64 0.359832 0.391568 0.392513 0.299644 -1070.336355 -1070.304619 -1070.303675 -1070.396544 245.713 112.039 195.459 0.000 0.000 0.000 0.889 2.981 42.475 0.889 2.981 33.896 243.935 106.077 119.089 1 0.595 1.980 5.123 2 0.595 1.978 4.860 3 0.596 1.977 4.722 4 0.596 1.975 4.551 5 0.597 1.974 4.468 6 0.598 1.970 4.266 7 0.598 1.967 4.098 8 0.599 1.967 4.067 9 0.600 1.962 3.875 10 0.600 1.961 3.808 11 0.601 1.957 3.694 12 0.604 1.948 3.437 13 0.606 1.944 3.320 14 0.608 1.936 3.160 15 0.616 1.909 2.743 16 0.620 1.896 2.597 17 0.624 1.884 2.482 18 0.627 1.874 2.388 19 0.628 1.871 2.361 20 0.630 1.863 2.300 21 0.632 1.858 2.257 22 0.633 1.856 2.242 23 0.636 1.846 2.174 24 0.645 1.818 2.002 25 0.647 1.810 1.958 26 0.649 1.803 1.920 27 0.653 1.793 1.866 28 0.656 1.783 1.821 29 0.685 1.695 1.484 30 0.691 1.677 1.427 31 0.693 1.673 1.414 32 0.696 1.663 1.386 33 0.698 1.658 1.372 34 0.702 1.646 1.337 35 0.703 1.643 1.329 36 0.708 1.630 1.296 37 0.711 1.619 1.269 38 0.716 1.607 1.240 39 0.724 1.584 1.186 40 0.725 1.581 1.179 41 0.727 1.577 1.169 42 0.730 1.566 1.146 43 0.825 1.322 0.744 44 0.832 1.304 0.722 45 0.836 1.295 0.711 46 0.851 1.259 0.669 47 0.854 1.254 0.663 48 0.862 1.235 0.642 49 0.908 1.135 0.540 50 0.911 1.128 0.533 51 0.934 1.081 0.491 52 0.949 1.050 0.464 53 0.963 1.023 0.443 54 0.980 0.990 0.417 0.484029e+28 27.684871 63.746771 0.539062e+13 12.731638 29.315681 0.100000e+01 0.000000 0.000000 0.157375e+09 8.196937 18.874145 0.570553e+07 6.756296 15.556946 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.1438 -0.1975 -1.3519 1.3737 -86.7497 -86.1972 -89.8413 1.8611 -1.4404 -2.1067 0.8464 1.3989 -2.2452 1.8611 -1.4404 -2.1067 0.0430 -25.4968 -48.0401 14.4480 6.0439 -18.0318 -21.4133 8.3880 42.4935 -39.4311 -3194.8517 -1399.6395 -1295.1430 21.0588 185.8089 90.7286 -34.9200 -43.4658 52.0468 -643.9307 -765.7163 -480.9990 -107.9971 -120.5023 -67.3136 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1070.6961874 2.795E-9 1.711E-5 0.3598323 0.3915684 -1070.304619 -1070.3036748 -1070.3965438 0.7069291,0.428547,-1.1354761,-1.1986951,1.3283318,-1.8598168 C01 [X(H28O14)] -0.0613062 0.1560144 0.5138215 -0.9420137 -0.0582207 -0.0497681 -0.0793692 -0.8035514 0.0322191 -0.0979461 0.0234808 -0.79115 0.684462 -0.072405 -0.0646198 -0.1342111 0.2731517 -0.0344043 -0.0865813 -0.0241558 0.2909993 0.6791304 0.0133592 -0.040539 0.0564174 0.2625109 0.0393219 -0.0454868 0.0304727 0.2919857 -0.8165423 0.0445579 -0.0292803 0.0478256 -0.6227249 -0.0208708 -0.0569806 -0.0921726 -0.9721764 0.2916877 -0.0381374 -0.0062877 -0.0388288 0.2085632 -0.0176636 0.0242229 0.0498097 0.2969521 -1.0551719 0.0769232 0.1842299 0.0702877 -0.7689732 -0.0451005 0.1443149 -0.0537885 -0.6106481 0.2510596 -0.026313 -0.0585858 -0.0197066 0.2949915 -0.0221488 -0.0099992 -0.0096993 0.2461175 0.2943985 -0.0114125 0.0645517 -0.0136117 0.2313879 0.052789 0.0668048 0.068179 1.0096987 0.9186611 -0.0368478 -0.3770953 -0.0239863 0.2911935 0.0224174 -0.407992 0.0225355 0.4132966 -0.9151275 -0.0036159 0.0251074 0.0015087 -0.7414802 -0.0492651 0.0150421 -0.048018 -0.83467 0.259596 -0.0008303 -0.0196744 0.0343474 0.6508952 0.1890251 -0.0027112 0.1707267 0.3421314 -0.751375 -0.0503408 0.0235795 -0.0449846 -0.7029987 0.0435637 0.008447 0.030388 -0.9114778 0.2830734 0.0524644 -0.0403357 0.0040653 0.6136477 -0.0049194 -0.0364693 0.0116438 0.280949 -0.9211464 -0.0127861 0.100292 -0.0065778 -0.7150359 0.0603072 0.0980125 0.0714515 -0.7953768 0.3097734 -0.0163287 0.0324148 -0.0257036 0.6059867 0.0289952 0.0415824 -0.0213485 0.2493364 0.2743096 0.0291056 0.0356079 0.0373895 0.2960314 -0.1399314 0.0213328 -0.0966461 0.7007657 -0.7630218 -0.0940194 0.0095514 -0.0959195 -0.8749762 -0.0397554 0.0029817 -0.077937 -0.7287135 0.3588399 -0.1526292 0.0126419 -0.1420202 0.5590123 0.044014 0.00291 0.0937076 0.2858921 0.3197414 0.0074567 -0.0195313 -0.0004808 0.2278102 0.0469424 -0.0020386 0.0135559 0.6319941 -0.7263672 -0.0578547 -0.0276548 -0.0473372 -0.7071536 0.0484751 -0.0832728 0.116305 -0.9599049 0.2676342 0.0090742 0.0968358 0.0038866 0.2854827 -0.1540924 0.1152982 -0.1636921 0.9977969 0.2491746 0.0572959 -0.0001322 0.0536457 0.2578595 0.0065317 0.0536008 -0.0399255 0.2865897 -0.8229359 -0.1297083 -0.0118678 -0.1785479 -0.870545 0.0782833 -0.0406384 0.069335 -0.6902054 0.2944407 -0.0023583 0.0156207 0.0450621 0.2504144 -0.0657943 0.0453804 -0.0383803 0.2475043 0.6622673 0.4121669 -0.0195767 0.4296005 0.6517378 -0.061369 -0.0224348 -0.0693969 0.2597328 -0.7711706 -0.1615201 0.1118913 -0.1247558 -0.8636939 0.0229288 0.116701 -0.0240123 -0.742858 0.4430662 0.3470935 -0.0496621 0.3592109 0.8246491 -0.0439112 -0.0453782 -0.0270733 0.2760667 0.2274753 0.0474534 -0.0532675 -0.0115466 0.2917548 -0.0004688 -0.0425935 0.029037 0.2759287 -0.8673472 -0.0917509 -0.1370152 -0.089354 -0.8199906 0.0294537 -0.1477912 0.0263809 -0.7734002 0.6537752 -0.1172508 0.1801867 -0.1491993 0.3055507 -0.0082707 0.2418215 -0.0165472 0.3214759 0.2304155 -0.0275031 0.1031578 -0.0234725 0.3176937 -0.0550014 0.0727052 -0.0474938 0.6694983 -0.8192491 0.0429094 0.007883 0.0500214 -0.6841563 0.0180731 0.0078532 0.0148507 -0.9002995 0.6606167 0.1350839 0.0345536 0.107686 0.298631 -0.0462581 0.0250383 -0.0385759 0.2713079 0.4064888 -0.2162949 -0.078557 -0.1854144 0.5508262 0.0284494 -0.0622577 0.0228249 0.2800244 -0.9941144 -0.0443637 -0.0650447 0.0081157 -0.7038128 -0.0525895 -0.1137988 -0.0785846 -0.7085104 0.2999481 0.0193449 -0.0315583 -0.0184582 0.2531497 0.0549552 0.0127961 0.0657187 0.2418333 1.0840179 0.0725411 0.1630581 0.0771993 0.2585024 0.0344957 0.1894308 0.0382697 0.2618907 -1.0323329 0.0339196 -0.0602699 0.075718 -0.8367473 0.0723538 -0.067981 0.0586989 -0.6496638 0.2324894 0.0137321 0.0065703 0.0404019 0.7380716 -0.1605237 0.00204 -0.1331766 0.3182321 0.6455201 0.1690693 0.0276769 0.1964586 0.3572737 0.0305634 0.0890016 0.062126 0.2717699 0.6228755 -0.1421612 -0.0844535 -0.222072 0.3277563 0.021489 -0.1022707 0.0163907 0.3060017 0.2929773 -0.0188987 0.0893664 -0.0232901 0.2313041 0.0166916 0.077304 -0.0052646 0.7432829 132.2034827|1.3985748|122.3395079|0.1884349|-0.7838634|121.0304209 0.000031312 0.000008709 0.000017931 -0.000008558 -0.000004859 -0.000008776 -0.000015640 -0.000005276 -0.000005627 -0.000024264 -0.000008036 0.000022174 0.000013442 0.000010936 -0.000007636 0.000001392 0.000004856 0.000012074 0.000003005 -0.000014199 -0.000005189 -0.000001557 0.000004271 0.000007134 -0.000009696 0.000010155 -0.000015402 0.000003584 0.000037453 -0.000016654 0.000002653 -0.000003530 0.000014748 -0.000014532 0.000003514 0.000058677 0.000010436 0.000006233 -0.000008365 0.000008975 -0.000009578 -0.000021385 0.000001520 0.000012611 0.000030356 -0.000016512 -0.000006609 0.000017800 0.000000555 -0.000026687 -0.000004822 0.000003162 0.000000757 0.000000647 0.000021639 0.000033610 0.000006091 0.000037165 -0.000007031 0.000013540 -0.000015457 0.000004865 -0.000048805 -0.000014083 0.000000362 -0.000000636 0.000003647 -0.000002220 0.000019044 -0.000000302 -0.000004031 -0.000016763 0.000003546 -0.000009944 -0.000001799 -0.000001620 -0.000009005 -0.000040714 -0.000010901 0.000005716 0.000010751 0.000002584 0.000004231 0.000026721 -0.000020566 0.000045610 -0.000000803 0.000003736 -0.000016429 0.000000208 0.000027058 -0.000042880 -0.000021390 0.000007283 0.000017486 -0.000030561 0.000003871 -0.000017340 -0.000003169 0.000002243 0.000001586 0.000000656 0.000000340 -0.000005249 -0.000017440 -0.000013904 0.000004967 0.000002753 0.000021139 0.000005057 0.000010793 -0.000014148 -0.000029541 -0.000018848 -0.000014277 0.000003412 -0.000013341 -0.000001973 0.000004116 -0.000023681 -0.000006315 0.000019903 0.000029990 -0.000009982 -0.000027971 0.000029717 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3342,-1.1992,-1.3853;1.4557,-1.6218,1.4544;2.1817,-1.3881,-1.6954;-2.202,-2.3454,-1.5069;-2.541,-3.1464,-1.917;.7536,1.248,2.4348;.8473,1.4683,3.3668;-2.204,-2.4907,-.5187;1.6598,1.3596,2.0249;.5249,-1.3314,1.3929;.5012,-.4647,1.847;3.1291,-1.246,-1.5084;3.2621,-.2877,-1.6292;3.1489,1.2332,1.3491;3.3803,.2871,1.3673;3.1856,1.487,.4054;-3.4637,.1916,-1.2995;-3.0787,-.6618,-1.5708;-3.6649,.0803,-.3519;3.293,-1.6048,1.1015;3.318,-1.5724,.1029;3.9531,-2.2443,1.3847;-3.4478,.0246,1.5259;-4.1547,.1965,2.155;-2.8065,.788,1.5917;-1.9437,2.3732,-1.3232;-2.52,1.5652,-1.4167;-2.4058,3.092,-1.7651;-1.7414,2.0373,1.4586;-.8219,1.8584,1.7318;-1.715,2.3238,.5266;-2.0721,-2.3913,1.134;-1.1498,-2.1852,1.3741;-2.5885,-1.6112,1.414;3.0746,1.6079,-1.4151;3.5852,2.2252,-1.9471;2.1217,1.6887,-1.7049;.5724,1.4311,-2.1684;.3946,.4887,-1.966;-.4742,-1.682,-1.6428;-.238,1.9056,-1.9087;.3337,-1.2011,-.4038; Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3342,-1.1992,-1.3853;1.4557,-1.6218,1.4544;2.1817,-1.3881,-1.6954;-2.202,-2.3454,-1.5069;-2.541,-3.1464,-1.917;.7536,1.248,2.4348;.8473,1.4683,3.3668;-2.204,-2.4907,-.5187;1.6598,1.3596,2.0249;.5249,-1.3314,1.3929;.5012,-.4647,1.847;3.1291,-1.246,-1.5084;3.2621,-.2877,-1.6292;3.1489,1.2332,1.3491;3.3803,.2871,1.3673;3.1856,1.487,.4054;-3.4637,.1916,-1.2995;-3.0787,-.6618,-1.5708;-3.6649,.0803,-.3519;3.293,-1.6048,1.1015;3.318,-1.5724,.1029;3.9531,-2.2443,1.3847;-3.4478,.0246,1.5259;-4.1547,.1965,2.155;-2.8065,.788,1.5917;-1.9437,2.3732,-1.3232;-2.52,1.5652,-1.4167;-2.4058,3.092,-1.7651;-1.7414,2.0373,1.4586;-.8219,1.8584,1.7318;-1.715,2.3238,.5266;-2.0721,-2.3913,1.134;-1.1498,-2.1852,1.3741;-2.5885,-1.6112,1.414;3.0746,1.6079,-1.4151;3.5852,2.2252,-1.9471;2.1217,1.6887,-1.7049;.5724,1.4311,-2.1684;.3946,.4887,-1.966;-.4742,-1.682,-1.6428;-.238,1.9056,-1.9087;.3337,-1.2011,-.4038; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2O/gas/CONF15/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction 14H2O CONF15 gas Redundant internal coordinates found in file. (old form). 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 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 490 A 476 A 476 728 490 70 70 1288.5013879911 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0441193717 0.000000 3.082220 0.000000 1.882832 3.240760 0.000000 2.785820 4.761448 4.490964 0.000000 3.512990 5.446518 5.044291 0.961641 0.000000 4.556112 3.112855 5.103613 6.097952 7.007407 0.000000 5.473743 3.684576 5.963694 6.898938 7.790697 0.962297 0.000000 2.976800 4.247552 4.672754 0.998761 1.580726 5.607927 6.330999 0.000000 4.464806 3.042315 4.654335 6.412019 7.313665 1.000802 1.572497 6.018628 0.000000 2.787847 0.976991 3.505058 4.107632 4.863065 2.791289 3.440733 3.527765 2.988122 0.000000 3.318875 1.550474 4.028019 4.700222 5.532955 1.828356 2.483233 4.125396 2.168489 0.978685 0.000000 2.797997 3.423375 0.976062 5.443269 5.994047 5.235670 6.028470 5.565128 4.629550 3.899564 4.333021 0.000000 3.076186 3.814576 1.543543 5.839984 6.475434 5.016647 5.820223 5.997045 4.316640 4.208832 4.442706 0.975039 0.000000 4.616959 3.320951 4.132280 7.042369 7.888190 2.629848 3.069803 6.783041 1.640119 3.669369 3.184532 3.783217 3.346092 0.000000 4.366291 2.712069 3.690871 6.808281 7.591925 2.993776 3.436558 6.515947 2.131449 3.282295 3.014117 3.268488 3.053342 0.974218 0.000000 4.307299 3.709100 3.699633 6.882587 7.723727 3.176482 3.773359 6.761933 2.228711 3.999723 3.618518 3.336994 2.700911 0.977996 1.550194 0.000000 4.045523 5.922240 5.875659 2.840999 3.517789 5.731228 6.479932 3.064477 6.218252 5.047515 5.104051 6.751018 6.750971 7.199094 7.345880 6.985570 0.000000 3.460011 5.534879 5.311838 1.899303 2.565594 5.863411 6.658211 2.284070 6.282475 4.713627 4.953388 6.235618 6.352164 7.134476 7.159089 6.911203 0.974724 0.000000 4.324160 5.690425 6.176117 3.059129 3.758251 5.352848 6.009651 2.961809 5.969826 4.753109 4.742224 7.018248 7.053419 7.116938 7.254937 7.034327 0.975017 1.542746 0.000000 3.886330 1.870954 3.017411 6.127596 6.747154 4.045370 4.534015 5.798907 3.508272 2.796808 3.106433 2.639608 3.031943 2.852482 1.912468 3.171116 7.392295 6.973569 7.305181 0.000000 3.355103 2.301464 2.135140 5.801589 6.394117 4.468613 5.099354 5.632177 3.878202 3.085957 3.493267 1.654864 2.157271 3.074638 2.249497 3.077253 7.146312 6.674468 7.190211 0.999474 0.000000 4.675649 2.574751 3.654855 6.801242 7.340918 4.851337 5.230473 6.449339 4.319365 3.547678 3.911041 3.169506 3.659139 3.569438 2.595378 3.933307 8.255187 7.790179 8.151960 0.961647 1.580462 0.000000 4.927182 5.173051 6.638110 4.045596 4.767728 4.469370 4.890962 3.471936 5.302781 4.199890 3.992147 7.353792 7.421313 6.708871 6.835069 6.884539 2.830391 3.193331 1.891214 6.947985 7.095872 7.742206 0.000000 5.884905 5.939143 7.581967 4.866585 5.510012 5.027457 5.301470 4.263221 5.931093 4.981339 4.712642 8.279806 8.340454 7.420648 7.576610 7.655451 3.522904 3.971930 2.556983 7.734522 7.948600 8.502164 0.961710 0.000000 4.761900 4.898209 6.357874 4.447960 5.278301 3.687450 4.118810 3.945425 4.523577 3.953439 3.546182 6.998550 6.954092 5.976964 6.211172 6.148289 3.024276 3.489598 2.239456 6.570424 6.730321 7.411487 0.999193 1.576274 0.000000 4.237375 5.935565 5.595116 4.729266 5.583526 4.760679 5.532182 4.936866 5.022214 5.214904 4.907285 6.234346 5.854468 5.863058 6.319496 5.484779 2.659089 3.249780 3.027101 7.009132 6.729577 7.964090 3.987022 4.660950 3.428406 0.000000 3.973580 5.848581 5.559261 3.924508 4.738098 5.064705 5.850684 4.166077 5.418288 5.055212 4.888721 6.310595 6.075429 6.316343 6.648144 5.989950 1.670694 2.301159 2.156254 7.083911 6.799655 8.016294 3.448739 4.159670 3.120357 0.996903 0.000000 5.105555 6.891741 6.412624 5.447313 6.241680 5.569704 6.289384 5.723658 5.821951 6.174810 5.843642 7.037060 6.600496 6.633903 7.152570 6.208939 3.122223 3.818543 3.557005 7.921816 7.616315 8.878824 4.617997 5.177793 4.091087 0.962007 1.570198 0.000000 4.782354 4.859047 6.088650 5.311643 6.237311 2.793080 3.266019 4.962453 3.514052 4.060597 3.382343 6.580691 6.322596 4.957199 5.413338 5.068290 3.738928 4.272061 3.287434 6.224018 6.361233 7.124955 2.639566 3.114008 1.647080 2.809259 3.016006 3.456292 0.000000 4.516921 4.168487 5.595317 5.483243 6.427878 1.830037 2.368902 5.088221 2.548271 3.479037 2.675991 5.978938 5.708030 4.037895 4.501225 4.237626 4.352757 4.727843 3.947969 5.415191 5.618076 6.305034 3.209513 3.748102 2.259260 3.294949 3.589282 4.032275 0.975812 0.000000 4.501829 5.146066 5.822363 5.115988 6.047832 3.300444 3.919784 4.950856 3.816333 4.373582 3.798823 6.352227 6.019899 5.052106 5.551391 4.973018 3.307373 3.895192 3.099506 6.391061 6.378965 7.330191 3.047610 3.623403 2.164399 1.864482 2.236026 2.513777 0.975417 1.570659 0.000000 3.682196 3.624940 5.206426 2.644520 3.177894 4.787636 5.329604 1.661023 5.365639 2.816879 3.292654 5.945311 6.365081 6.359398 6.079221 6.573860 3.811844 3.364691 3.294616 5.422542 5.548525 6.032198 2.807637 3.475113 3.294955 5.362429 4.728743 6.211537 4.452753 4.469970 4.767491 0.000000 3.284605 2.666990 4.599565 3.071227 3.700059 4.066346 4.615995 2.187981 4.569804 1.879918 2.430910 5.244052 5.664373 5.492260 5.160856 5.763617 4.260370 3.835853 3.799633 4.488891 4.685333 5.103313 3.191668 3.912950 3.410491 5.355780 4.871423 6.267386 4.264502 4.072605 4.622601 0.974998 0.000000 4.067964 4.044408 5.698511 3.036475 3.668099 4.515189 5.010122 2.157995 5.219858 3.126006 3.323817 6.431564 6.726242 6.404086 6.263575 6.629962 3.373339 3.170393 2.671873 5.889802 6.050319 6.572212 1.851177 2.503977 2.415624 4.876911 4.255301 5.679844 3.745789 3.906434 4.127352 0.976530 1.549402 0.000000 3.923027 4.613565 3.138717 6.593830 7.374926 4.509753 5.277046 6.742754 3.727858 4.798393 4.643178 2.855960 1.916814 2.790507 3.095084 1.827854 6.690942 6.560403 6.991737 4.086907 3.532425 4.842509 7.327924 8.185318 6.655842 5.077129 5.594700 5.688587 5.624616 5.014840 5.217556 6.998545 6.325509 7.101879 0.000000 4.755066 5.559057 3.884428 7.387471 8.147667 5.307812 6.025468 7.602209 4.498085 5.759276 5.580427 3.528431 2.553428 3.469765 3.844862 2.497687 7.364898 7.272115 7.727112 4.903928 4.323867 5.586796 8.146622 8.991506 7.445920 5.565900 6.163545 6.056105 6.325041 5.752479 5.849822 7.925247 7.273310 8.008038 0.961640 0.000000 3.411334 4.624242 3.077389 5.916674 6.720389 4.382106 5.234057 6.130707 3.772704 4.611584 4.458600 3.109054 2.283079 3.254207 3.603750 2.371888 5.796779 5.708519 6.156469 4.482822 3.915907 5.326186 6.650367 7.517855 5.997168 4.140246 4.652228 4.740395 5.005280 4.528230 4.483662 6.503369 5.932082 6.542395 0.999257 1.577401 0.000000 2.754762 4.819211 3.280533 4.732511 5.541656 4.610371 5.542172 5.080359 4.332604 4.507349 4.440988 3.760308 3.237280 4.364703 4.657724 3.668279 4.310635 4.250641 4.804022 5.226062 4.660320 6.128850 5.638128 6.523859 5.095928 2.816458 3.185186 3.433759 4.344625 4.163930 3.645777 5.701777 5.347186 5.663976 2.619107 3.123524 1.637541 0.000000 1.786089 4.156845 2.605713 3.871065 4.672703 4.480244 5.440951 4.209996 4.276319 3.822560 3.931838 3.270584 2.989854 4.373883 4.479543 3.796039 3.926715 3.680188 4.387651 4.711080 4.132217 5.600027 5.212810 6.145225 4.795173 3.071162 3.155141 3.828769 4.322988 4.126751 3.745771 4.897913 4.548743 4.973256 2.956076 3.632550 2.119195 0.980134 0.000000 0.976219 3.649734 2.672697 1.855685 2.547754 5.169077 6.063588 2.215702 5.220884 3.215003 3.822480 3.632128 3.988078 5.529664 5.272125 5.256634 3.544773 2.798138 3.866868 4.661493 4.176130 5.392896 4.668561 5.612263 4.690628 4.325134 3.844544 5.151441 5.005717 4.903439 4.721471 3.281280 3.132204 3.717396 4.844519 5.642487 4.254938 3.326189 2.360431 0.000000 3.200208 5.159549 4.092566 4.699953 5.552163 4.503470 5.403707 5.012411 4.401465 4.686166 4.502177 4.629328 4.140002 4.747254 5.142348 4.153421 3.703286 3.843880 4.183142 5.818324 5.365457 6.755254 5.063383 5.896999 4.483154 1.863015 2.359071 2.475398 3.689960 3.687332 2.878671 5.575434 5.323718 5.378957 3.362353 3.836682 2.378383 0.974305 1.552719 3.605236 0.000000 0.981566 2.211011 2.262422 2.992632 3.786550 3.772509 4.648301 2.848863 3.770172 1.811455 2.374014 3.006134 3.303291 4.113859 3.825337 4.001758 4.142723 3.646583 4.199227 3.344663 3.049676 4.169811 4.418798 5.352165 4.218871 4.336772 4.101413 5.271493 4.273312 3.905985 4.181804 3.093400 2.515911 3.465766 4.052843 4.969225 3.638788 3.177965 2.302155 1.555371 3.499010 0.000000 H28O14 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 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3001,.9889,1.5442;1.4062,1.8746,-1.1929;2.1408,1.1864,1.8875;-2.2712,2.0227,1.8279;-2.6354,2.7407,2.3539;.7953,-.8328,-2.6024;.8954,-.9053,-3.5567;-2.2783,2.3168,.8735;1.7047,-.977,-2.2103;.4851,1.5491,-1.1805;.4887,.7615,-1.7615;3.0921,1.1045,1.6853;3.2556,.1436,1.6591;3.1893,-.9082,-1.5167;3.3906,.0364,-1.3893;3.2345,-1.3017,-.6224;-3.4518,-.4914,1.2308;-3.094,.3223,1.6307;-3.6569,-.2434,.3104;3.2433,1.862,-.8388;3.2697,1.6785,.1433;3.8826,2.5576,-1.0183;-3.4426,.1048,-1.5361;-4.1439,.0086,-2.1871;-2.7773,-.619,-1.7146;-1.8631,-2.6022,.9284;-2.4648,-1.8364,1.1415;-2.302,-3.3941,1.2536;-1.673,-1.8398,-1.7688;-.7597,-1.5926,-2.0076;-1.637,-2.2642,-.8912;-2.1441,2.4748,-.7745;-1.2159,2.3368,-1.0391;-2.6356,1.7307,-1.1724;3.1283,-1.7021,1.1578;3.6585,-2.377,1.5917;2.1786,-1.8562,1.4278;.6221,-1.7212,1.9183;.4143,-.7651,1.8611;-.5232,1.4012,1.8687;-.1729,-2.1758,1.5857;.299,1.1404,.5744; 0.4001415 0.2435266 0.2374567 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. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 2.29D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 490 489 489 490 490 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.69618737243 -1070.69618737 1 1.067239732401e+03 -5.109821929972e+03 1.683428741580e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 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. PT122.500S Tue Nov 5 02:13:00 2024 -19.14106 -19.13992 -19.13788 -19.13736 -19.13714 -19.13557 -19.13013 -19.12372 -19.11900 -19.11830 -19.11779 -19.11619 -19.11600 -19.10797 -1.03877 -1.03358 -1.03098 -1.02877 -1.02646 -1.02458 -1.01889 -1.01226 -1.00563 -1.00452 -1.00260 -0.99994 -0.99637 -0.99091 -0.55927 -0.55703 -0.55582 -0.55393 -0.55333 -0.55069 -0.54262 -0.53781 -0.53374 -0.53196 -0.52954 -0.52692 -0.52485 -0.52114 -0.45794 -0.45051 -0.43405 -0.43147 -0.42544 -0.42005 -0.40711 -0.40483 -0.39669 -0.39228 -0.38167 -0.37886 -0.37280 -0.35760 -0.33930 -0.33849 -0.33611 -0.33515 -0.33447 -0.33161 -0.33084 -0.32454 -0.31956 -0.31867 -0.31677 -0.31578 -0.31516 -0.30902 -0.01065 0.01244 0.02385 0.02478 0.03585 0.03739 0.06447 0.07528 0.08258 0.08883 0.09219 0.09724 0.10009 0.10463 0.11345 0.11404 0.12570 0.12911 0.13590 0.14148 0.14384 0.14830 0.15392 0.16108 0.16660 0.16732 0.17346 0.17822 0.17976 0.18311 0.18880 0.19441 0.19914 0.20146 0.21087 0.21660 0.22093 0.22166 0.22374 0.22654 0.22975 0.23222 0.23520 0.24124 0.24752 0.24874 0.25324 0.25541 0.26096 0.26380 0.26519 0.26942 0.27121 0.27243 0.27403 0.28004 0.28446 0.28651 0.28893 0.29176 0.29837 0.29968 0.30355 0.30589 0.31367 0.31796 0.33239 0.33886 0.34154 0.35483 0.36376 0.38569 0.40860 0.42483 0.42949 0.43498 0.44467 0.44927 0.45952 0.45958 0.46509 0.47300 0.48984 0.51960 0.52707 0.53052 0.53746 0.54862 0.55009 0.55672 0.56376 0.56666 0.57410 0.57925 0.58048 0.59131 0.59407 0.60429 0.61136 0.61269 0.61967 0.63440 0.63936 0.64200 0.65801 0.66232 0.67196 0.67470 0.67940 0.68772 0.70915 0.71211 0.92877 0.93402 0.94081 0.94856 0.95817 0.96114 0.97021 0.97382 0.98329 0.98565 0.99841 1.00851 1.01166 1.01532 1.02216 1.02916 1.03373 1.03677 1.04494 1.05001 1.05718 1.05885 1.06469 1.06721 1.06824 1.07198 1.07850 1.08446 1.09297 1.09565 1.10314 1.10980 1.11291 1.11644 1.12596 1.13670 1.13895 1.14265 1.15084 1.16054 1.16881 1.19459 1.22892 1.24070 1.24737 1.26386 1.27680 1.28139 1.28592 1.29586 1.29889 1.30968 1.31952 1.32396 1.33645 1.34701 1.34976 1.35690 1.36344 1.37209 1.38049 1.38384 1.39254 1.40262 1.41271 1.41771 1.42489 1.43573 1.44738 1.45433 1.46038 1.47303 1.48438 1.48723 1.49667 1.50416 1.50815 1.51221 1.53217 1.54011 1.55222 1.55636 1.56777 1.57714 1.58688 1.59856 1.61003 1.61981 1.62280 1.62883 1.63565 1.65597 1.66631 1.68048 1.69706 1.71136 1.71776 1.72405 1.74545 1.74899 1.75318 1.77104 1.77438 1.78621 1.80070 1.81700 1.82249 1.83061 1.83802 1.85095 1.87049 1.87870 2.01817 2.02542 2.03131 2.03669 2.03767 2.04299 2.17557 2.18948 2.20404 2.21990 2.23149 2.23713 2.26268 2.28161 2.29242 2.29870 2.31072 2.31851 2.32982 2.33708 2.34203 2.35777 2.37340 2.38419 2.40584 2.41448 2.41836 2.44059 2.50378 2.51446 2.51542 2.51973 2.52818 2.53777 2.60540 2.62343 2.63179 2.64919 2.66785 2.67818 2.68564 2.69286 2.71105 2.72324 2.73018 2.73218 2.75487 2.76272 2.78169 2.79322 2.81895 2.84421 2.84901 2.86949 2.87463 2.88910 3.05662 3.05950 3.06905 3.07706 3.08173 3.08573 3.09335 3.11117 3.11257 3.11956 3.12636 3.13238 3.13521 3.13828 3.14226 3.14394 3.14459 3.14817 3.15408 3.17250 3.17639 3.18907 3.19614 3.20389 3.21474 3.22973 3.23124 3.23908 3.29511 3.29820 3.30268 3.30521 3.31536 3.31891 3.33155 3.33361 3.34511 3.34966 3.35601 3.36163 3.36775 3.39328 3.65696 3.66840 3.68154 3.68702 3.69854 3.71559 3.74086 3.74995 3.75279 3.75599 3.75901 3.77037 3.77244 3.78330 3.89010 3.90225 3.90247 3.90843 3.91287 3.91848 3.92276 3.93199 3.94087 3.94267 3.94768 3.95353 3.97151 3.99357 4.99527 4.99834 5.00677 5.01027 5.01456 5.01969 5.02403 5.03268 5.03518 5.03854 5.04856 5.05766 5.09304 5.11120 5.36992 5.38588 5.39549 5.39913 5.40668 5.42138 5.43631 5.45567 5.46650 5.47038 5.49136 5.50731 5.51242 5.56053 5.65424 5.65566 5.65778 5.66241 5.67016 5.67307 5.67578 5.68256 5.69087 5.72318 5.73174 5.73894 5.75872 5.78634 49.87646 49.89713 49.89947 49.90546 49.91209 49.91482 49.92247 49.92784 49.93707 49.94361 49.94984 49.95241 49.96006 49.96675 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 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.806157 0.387824 0.336757 -0.769544 0.311459 -0.776703 0.290212 0.407085 0.432917 -0.766529 0.380149 -0.625088 0.331534 -0.667338 0.328404 0.393227 -0.659685 0.364855 0.342319 -0.773673 0.414269 0.314433 -0.766277 0.302886 0.416805 -0.753987 0.413449 0.292134 -0.712489 0.393966 0.368827 -0.649936 0.352288 0.352251 -0.768756 0.306715 0.412807 -0.718506 0.360507 0.408631 0.398807 0.399153 -0.00000 -0.1438 -0.1975 -1.3519 1.3737 -86.7497 -86.1972 -89.8413 1.8611 -1.4404 -2.1067 0.8464 1.3989 -2.2452 1.8611 -1.4404 -2.1067 0.0430 -25.4968 -48.0400 14.4480 6.0440 -18.0318 -21.4133 8.3881 42.4935 -39.4311 -3194.8519 -1399.6395 -1295.1430 21.0586 185.8089 90.7286 -34.9200 -43.4658 52.0468 -643.9307 -765.7163 -480.9990 -107.9971 -120.5023 -67.3136 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GARGANTA LAMSABHI 05-Nov-2024 0 Wavefunction 14H2O CONF15 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1070.6961874 RMSD=2.547e-09 Dipole=-0.061306,0.1560145,0.5138217 Quadrupole=0.7069254,0.4285498,-1.1354752,-1.1986857,1.3283362,-1.8598184 PG=C01 [X(H28O14)] 0 0.3342337056 -1.1992234225 -1.3853174392 0 1.4557343017 -1.6217577252 1.4543619141 0 2.1817307151 -1.3880953501 -1.6953776263 0 -2.2019693398 -2.3453854791 -1.5068800904 0 -2.5409983695 -3.1463847572 -1.9170174506 0 0.7536414257 1.2480331574 2.4347859136 0 0.8473114586 1.468280101 3.3668439137 0 -2.2039821119 -2.4906770619 -0.5187458636 0 1.6598252531 1.3595994755 2.024921063 0 0.5249232976 -1.3313797146 1.3928588203 0 0.5011875534 -0.4647451693 1.8469567763 0 3.1291295831 -1.2460421973 -1.5084214659 0 3.2621285291 -0.2876947414 -1.6291756463 0 3.1488967213 1.2332107648 1.3491384462 0 3.3803494632 0.287059847 1.3672519397 0 3.1855920196 1.4870410138 0.4053698944 0 -3.4637316002 0.1915835134 -1.2994681037 0 -3.078742742 -0.6617793877 -1.5708394494 0 -3.6649153729 0.0803461673 -0.3519401759 0 3.2930428324 -1.6048473141 1.1015442981 0 3.3179576055 -1.5724488924 0.1029065414 0 3.9531290722 -2.244264523 1.3847335842 0 -3.4478335331 0.0245588539 1.5259453029 0 -4.1546518468 0.1965043985 2.1550152285 0 -2.8065235036 0.7879645349 1.5916649663 0 -1.9436897115 2.3732484638 -1.323186572 0 -2.5199612967 1.5651796572 -1.4167309409 0 -2.405838246 3.0919828278 -1.7651111986 0 -1.7414352961 2.0372621047 1.4585648187 0 -0.8219018673 1.8584237179 1.731847727 0 -1.7150255122 2.3238047394 0.5265596413 0 -2.0720629927 -2.3913251408 1.1340472914 0 -1.1498299758 -2.1851587331 1.3740513731 0 -2.588459131 -1.6112313816 1.4140482916 0 3.0745754813 1.6078714167 -1.4151036682 0 3.5851533334 2.2251916657 -1.9470597199 0 2.1216889474 1.6886934787 -1.7049146826 0 0.5723631295 1.4311422661 -2.1683788344 0 0.3945690096 0.4887487458 -1.9660254107 0 -0.4742321534 -1.6820381515 -1.642758162 0 -0.2380026502 1.9056105892 -1.9086541431 0 0.3336811878 -1.2010789813 -0.4037537213 Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read pop=nbo7read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3342,-1.1992,-1.3853;1.4557,-1.6218,1.4544;2.1817,-1.3881,-1.6954;-2.202,-2.3454,-1.5069;-2.541,-3.1464,-1.917;.7536,1.248,2.4348;.8473,1.4683,3.3668;-2.204,-2.4907,-.5187;1.6598,1.3596,2.0249;.5249,-1.3314,1.3929;.5012,-.4647,1.847;3.1291,-1.246,-1.5084;3.2621,-.2877,-1.6292;3.1489,1.2332,1.3491;3.3803,.2871,1.3673;3.1856,1.487,.4054;-3.4637,.1916,-1.2995;-3.0787,-.6618,-1.5708;-3.6649,.0803,-.3519;3.293,-1.6048,1.1015;3.318,-1.5724,.1029;3.9531,-2.2443,1.3847;-3.4478,.0246,1.5259;-4.1547,.1965,2.155;-2.8065,.788,1.5917;-1.9437,2.3732,-1.3232;-2.52,1.5652,-1.4167;-2.4058,3.092,-1.7651;-1.7414,2.0373,1.4586;-.8219,1.8584,1.7318;-1.715,2.3238,.5266;-2.0721,-2.3913,1.134;-1.1498,-2.1852,1.3741;-2.5885,-1.6112,1.414;3.0746,1.6079,-1.4151;3.5852,2.2252,-1.9471;2.1217,1.6887,-1.7049;.5724,1.4311,-2.1684;.3946,.4887,-1.966;-.4742,-1.682,-1.6428;-.238,1.9056,-1.9087;.3337,-1.2011,-.4038; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2O/gas/CONF15/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read 1/29=2,38=1,163=2,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1,40=2,113=1,114=1,124=2103/1,12 99/5=1,9=1/99 Wavefunction 14H2O CONF15 gas Redundant internal coordinates found in file. (old form). 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 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 490 A 476 A 476 728 490 70 70 1288.5013879911 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0441193717 0.000000 3.082220 0.000000 1.882832 3.240760 0.000000 2.785820 4.761448 4.490964 0.000000 3.512990 5.446518 5.044291 0.961641 0.000000 4.556112 3.112855 5.103613 6.097952 7.007407 0.000000 5.473743 3.684576 5.963694 6.898938 7.790697 0.962297 0.000000 2.976800 4.247552 4.672754 0.998761 1.580726 5.607927 6.330999 0.000000 4.464806 3.042315 4.654335 6.412019 7.313665 1.000802 1.572497 6.018628 0.000000 2.787847 0.976991 3.505058 4.107632 4.863065 2.791289 3.440733 3.527765 2.988122 0.000000 3.318875 1.550474 4.028019 4.700222 5.532955 1.828356 2.483233 4.125396 2.168489 0.978685 0.000000 2.797997 3.423375 0.976062 5.443269 5.994047 5.235670 6.028470 5.565128 4.629550 3.899564 4.333021 0.000000 3.076186 3.814576 1.543543 5.839984 6.475434 5.016647 5.820223 5.997045 4.316640 4.208832 4.442706 0.975039 0.000000 4.616959 3.320951 4.132280 7.042369 7.888190 2.629848 3.069803 6.783041 1.640119 3.669369 3.184532 3.783217 3.346092 0.000000 4.366291 2.712069 3.690871 6.808281 7.591925 2.993776 3.436558 6.515947 2.131449 3.282295 3.014117 3.268488 3.053342 0.974218 0.000000 4.307299 3.709100 3.699633 6.882587 7.723727 3.176482 3.773359 6.761933 2.228711 3.999723 3.618518 3.336994 2.700911 0.977996 1.550194 0.000000 4.045523 5.922240 5.875659 2.840999 3.517789 5.731228 6.479932 3.064477 6.218252 5.047515 5.104051 6.751018 6.750971 7.199094 7.345880 6.985570 0.000000 3.460011 5.534879 5.311838 1.899303 2.565594 5.863411 6.658211 2.284070 6.282475 4.713627 4.953388 6.235618 6.352164 7.134476 7.159089 6.911203 0.974724 0.000000 4.324160 5.690425 6.176117 3.059129 3.758251 5.352848 6.009651 2.961809 5.969826 4.753109 4.742224 7.018248 7.053419 7.116938 7.254937 7.034327 0.975017 1.542746 0.000000 3.886330 1.870954 3.017411 6.127596 6.747154 4.045370 4.534015 5.798907 3.508272 2.796808 3.106433 2.639608 3.031943 2.852482 1.912468 3.171116 7.392295 6.973569 7.305181 0.000000 3.355103 2.301464 2.135140 5.801589 6.394117 4.468613 5.099354 5.632177 3.878202 3.085957 3.493267 1.654864 2.157271 3.074638 2.249497 3.077253 7.146312 6.674468 7.190211 0.999474 0.000000 4.675649 2.574751 3.654855 6.801242 7.340918 4.851337 5.230473 6.449339 4.319365 3.547678 3.911041 3.169506 3.659139 3.569438 2.595378 3.933307 8.255187 7.790179 8.151960 0.961647 1.580462 0.000000 4.927182 5.173051 6.638110 4.045596 4.767728 4.469370 4.890962 3.471936 5.302781 4.199890 3.992147 7.353792 7.421313 6.708871 6.835069 6.884539 2.830391 3.193331 1.891214 6.947985 7.095872 7.742206 0.000000 5.884905 5.939143 7.581967 4.866585 5.510012 5.027457 5.301470 4.263221 5.931093 4.981339 4.712642 8.279806 8.340454 7.420648 7.576610 7.655451 3.522904 3.971930 2.556983 7.734522 7.948600 8.502164 0.961710 0.000000 4.761900 4.898209 6.357874 4.447960 5.278301 3.687450 4.118810 3.945425 4.523577 3.953439 3.546182 6.998550 6.954092 5.976964 6.211172 6.148289 3.024276 3.489598 2.239456 6.570424 6.730321 7.411487 0.999193 1.576274 0.000000 4.237375 5.935565 5.595116 4.729266 5.583526 4.760679 5.532182 4.936866 5.022214 5.214904 4.907285 6.234346 5.854468 5.863058 6.319496 5.484779 2.659089 3.249780 3.027101 7.009132 6.729577 7.964090 3.987022 4.660950 3.428406 0.000000 3.973580 5.848581 5.559261 3.924508 4.738098 5.064705 5.850684 4.166077 5.418288 5.055212 4.888721 6.310595 6.075429 6.316343 6.648144 5.989950 1.670694 2.301159 2.156254 7.083911 6.799655 8.016294 3.448739 4.159670 3.120357 0.996903 0.000000 5.105555 6.891741 6.412624 5.447313 6.241680 5.569704 6.289384 5.723658 5.821951 6.174810 5.843642 7.037060 6.600496 6.633903 7.152570 6.208939 3.122223 3.818543 3.557005 7.921816 7.616315 8.878824 4.617997 5.177793 4.091087 0.962007 1.570198 0.000000 4.782354 4.859047 6.088650 5.311643 6.237311 2.793080 3.266019 4.962453 3.514052 4.060597 3.382343 6.580691 6.322596 4.957199 5.413338 5.068290 3.738928 4.272061 3.287434 6.224018 6.361233 7.124955 2.639566 3.114008 1.647080 2.809259 3.016006 3.456292 0.000000 4.516921 4.168487 5.595317 5.483243 6.427878 1.830037 2.368902 5.088221 2.548271 3.479037 2.675991 5.978938 5.708030 4.037895 4.501225 4.237626 4.352757 4.727843 3.947969 5.415191 5.618076 6.305034 3.209513 3.748102 2.259260 3.294949 3.589282 4.032275 0.975812 0.000000 4.501829 5.146066 5.822363 5.115988 6.047832 3.300444 3.919784 4.950856 3.816333 4.373582 3.798823 6.352227 6.019899 5.052106 5.551391 4.973018 3.307373 3.895192 3.099506 6.391061 6.378965 7.330191 3.047610 3.623403 2.164399 1.864482 2.236026 2.513777 0.975417 1.570659 0.000000 3.682196 3.624940 5.206426 2.644520 3.177894 4.787636 5.329604 1.661023 5.365639 2.816879 3.292654 5.945311 6.365081 6.359398 6.079221 6.573860 3.811844 3.364691 3.294616 5.422542 5.548525 6.032198 2.807637 3.475113 3.294955 5.362429 4.728743 6.211537 4.452753 4.469970 4.767491 0.000000 3.284605 2.666990 4.599565 3.071227 3.700059 4.066346 4.615995 2.187981 4.569804 1.879918 2.430910 5.244052 5.664373 5.492260 5.160856 5.763617 4.260370 3.835853 3.799633 4.488891 4.685333 5.103313 3.191668 3.912950 3.410491 5.355780 4.871423 6.267386 4.264502 4.072605 4.622601 0.974998 0.000000 4.067964 4.044408 5.698511 3.036475 3.668099 4.515189 5.010122 2.157995 5.219858 3.126006 3.323817 6.431564 6.726242 6.404086 6.263575 6.629962 3.373339 3.170393 2.671873 5.889802 6.050319 6.572212 1.851177 2.503977 2.415624 4.876911 4.255301 5.679844 3.745789 3.906434 4.127352 0.976530 1.549402 0.000000 3.923027 4.613565 3.138717 6.593830 7.374926 4.509753 5.277046 6.742754 3.727858 4.798393 4.643178 2.855960 1.916814 2.790507 3.095084 1.827854 6.690942 6.560403 6.991737 4.086907 3.532425 4.842509 7.327924 8.185318 6.655842 5.077129 5.594700 5.688587 5.624616 5.014840 5.217556 6.998545 6.325509 7.101879 0.000000 4.755066 5.559057 3.884428 7.387471 8.147667 5.307812 6.025468 7.602209 4.498085 5.759276 5.580427 3.528431 2.553428 3.469765 3.844862 2.497687 7.364898 7.272115 7.727112 4.903928 4.323867 5.586796 8.146622 8.991506 7.445920 5.565900 6.163545 6.056105 6.325041 5.752479 5.849822 7.925247 7.273310 8.008038 0.961640 0.000000 3.411334 4.624242 3.077389 5.916674 6.720389 4.382106 5.234057 6.130707 3.772704 4.611584 4.458600 3.109054 2.283079 3.254207 3.603750 2.371888 5.796779 5.708519 6.156469 4.482822 3.915907 5.326186 6.650367 7.517855 5.997168 4.140246 4.652228 4.740395 5.005280 4.528230 4.483662 6.503369 5.932082 6.542395 0.999257 1.577401 0.000000 2.754762 4.819211 3.280533 4.732511 5.541656 4.610371 5.542172 5.080359 4.332604 4.507349 4.440988 3.760308 3.237280 4.364703 4.657724 3.668279 4.310635 4.250641 4.804022 5.226062 4.660320 6.128850 5.638128 6.523859 5.095928 2.816458 3.185186 3.433759 4.344625 4.163930 3.645777 5.701777 5.347186 5.663976 2.619107 3.123524 1.637541 0.000000 1.786089 4.156845 2.605713 3.871065 4.672703 4.480244 5.440951 4.209996 4.276319 3.822560 3.931838 3.270584 2.989854 4.373883 4.479543 3.796039 3.926715 3.680188 4.387651 4.711080 4.132217 5.600027 5.212810 6.145225 4.795173 3.071162 3.155141 3.828769 4.322988 4.126751 3.745771 4.897913 4.548743 4.973256 2.956076 3.632550 2.119195 0.980134 0.000000 0.976219 3.649734 2.672697 1.855685 2.547754 5.169077 6.063588 2.215702 5.220884 3.215003 3.822480 3.632128 3.988078 5.529664 5.272125 5.256634 3.544773 2.798138 3.866868 4.661493 4.176130 5.392896 4.668561 5.612263 4.690628 4.325134 3.844544 5.151441 5.005717 4.903439 4.721471 3.281280 3.132204 3.717396 4.844519 5.642487 4.254938 3.326189 2.360431 0.000000 3.200208 5.159549 4.092566 4.699953 5.552163 4.503470 5.403707 5.012411 4.401465 4.686166 4.502177 4.629328 4.140002 4.747254 5.142348 4.153421 3.703286 3.843880 4.183142 5.818324 5.365457 6.755254 5.063383 5.896999 4.483154 1.863015 2.359071 2.475398 3.689960 3.687332 2.878671 5.575434 5.323718 5.378957 3.362353 3.836682 2.378383 0.974305 1.552719 3.605236 0.000000 0.981566 2.211011 2.262422 2.992632 3.786550 3.772509 4.648301 2.848863 3.770172 1.811455 2.374014 3.006134 3.303291 4.113859 3.825337 4.001758 4.142723 3.646583 4.199227 3.344663 3.049676 4.169811 4.418798 5.352165 4.218871 4.336772 4.101413 5.271493 4.273312 3.905985 4.181804 3.093400 2.515911 3.465766 4.052843 4.969225 3.638788 3.177965 2.302155 1.555371 3.499010 0.000000 H28O14 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 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3001,.9889,1.5442;1.4062,1.8746,-1.1929;2.1408,1.1864,1.8875;-2.2712,2.0227,1.8279;-2.6354,2.7407,2.3539;.7953,-.8328,-2.6024;.8954,-.9053,-3.5567;-2.2783,2.3168,.8735;1.7047,-.977,-2.2103;.4851,1.5491,-1.1805;.4887,.7615,-1.7615;3.0921,1.1045,1.6853;3.2556,.1436,1.6591;3.1893,-.9082,-1.5167;3.3906,.0364,-1.3893;3.2345,-1.3017,-.6224;-3.4518,-.4914,1.2308;-3.094,.3223,1.6307;-3.6569,-.2434,.3104;3.2433,1.862,-.8388;3.2697,1.6785,.1433;3.8826,2.5576,-1.0183;-3.4426,.1048,-1.5361;-4.1439,.0086,-2.1871;-2.7773,-.619,-1.7146;-1.8631,-2.6022,.9284;-2.4648,-1.8364,1.1415;-2.302,-3.3941,1.2536;-1.673,-1.8398,-1.7688;-.7597,-1.5926,-2.0076;-1.637,-2.2642,-.8912;-2.1441,2.4748,-.7745;-1.2159,2.3368,-1.0391;-2.6356,1.7307,-1.1724;3.1283,-1.7021,1.1578;3.6585,-2.377,1.5917;2.1786,-1.8562,1.4278;.6221,-1.7212,1.9183;.4143,-.7651,1.8611;-.5232,1.4012,1.8687;-.1729,-2.1758,1.5857;.299,1.1404,.5744; 0.4001415 0.2435266 0.2374567 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. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 2.29D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 490 489 489 490 490 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.69618737243 -1070.69618737 1 1.067239732401e+03 -5.109821929972e+03 1.683428741580e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 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. PT10572.900S Tue Nov 5 02:38:14 2024 -19.14106 -19.13992 -19.13788 -19.13736 -19.13714 -19.13557 -19.13013 -19.12372 -19.11900 -19.11830 -19.11779 -19.11619 -19.11600 -19.10797 -1.03877 -1.03358 -1.03098 -1.02877 -1.02646 -1.02458 -1.01889 -1.01226 -1.00563 -1.00452 -1.00260 -0.99994 -0.99637 -0.99091 -0.55927 -0.55703 -0.55582 -0.55393 -0.55333 -0.55069 -0.54262 -0.53781 -0.53374 -0.53196 -0.52954 -0.52692 -0.52485 -0.52114 -0.45794 -0.45051 -0.43405 -0.43147 -0.42544 -0.42005 -0.40711 -0.40483 -0.39669 -0.39228 -0.38167 -0.37886 -0.37280 -0.35760 -0.33930 -0.33849 -0.33611 -0.33515 -0.33447 -0.33161 -0.33084 -0.32454 -0.31956 -0.31867 -0.31677 -0.31578 -0.31516 -0.30902 -0.01065 0.01244 0.02385 0.02478 0.03585 0.03739 0.06447 0.07528 0.08258 0.08883 0.09219 0.09724 0.10009 0.10463 0.11345 0.11404 0.12570 0.12911 0.13590 0.14148 0.14384 0.14830 0.15392 0.16108 0.16660 0.16732 0.17346 0.17822 0.17976 0.18311 0.18880 0.19441 0.19914 0.20146 0.21087 0.21660 0.22093 0.22166 0.22374 0.22654 0.22975 0.23222 0.23520 0.24124 0.24752 0.24874 0.25324 0.25541 0.26096 0.26380 0.26519 0.26942 0.27121 0.27243 0.27403 0.28004 0.28446 0.28651 0.28893 0.29176 0.29837 0.29968 0.30355 0.30589 0.31367 0.31796 0.33239 0.33886 0.34154 0.35483 0.36376 0.38569 0.40860 0.42483 0.42949 0.43498 0.44467 0.44927 0.45952 0.45958 0.46509 0.47300 0.48984 0.51960 0.52707 0.53052 0.53746 0.54862 0.55009 0.55672 0.56376 0.56666 0.57410 0.57925 0.58048 0.59131 0.59407 0.60429 0.61136 0.61269 0.61967 0.63440 0.63936 0.64200 0.65801 0.66232 0.67196 0.67470 0.67940 0.68772 0.70915 0.71211 0.92877 0.93402 0.94081 0.94856 0.95817 0.96114 0.97021 0.97382 0.98329 0.98565 0.99841 1.00851 1.01166 1.01532 1.02216 1.02916 1.03373 1.03677 1.04494 1.05001 1.05718 1.05885 1.06469 1.06721 1.06824 1.07198 1.07850 1.08446 1.09297 1.09565 1.10314 1.10980 1.11291 1.11644 1.12596 1.13670 1.13895 1.14265 1.15084 1.16054 1.16881 1.19459 1.22892 1.24070 1.24737 1.26386 1.27680 1.28139 1.28592 1.29586 1.29889 1.30968 1.31952 1.32396 1.33645 1.34701 1.34976 1.35690 1.36344 1.37209 1.38049 1.38384 1.39254 1.40262 1.41271 1.41771 1.42489 1.43573 1.44738 1.45433 1.46038 1.47303 1.48438 1.48723 1.49667 1.50416 1.50815 1.51221 1.53217 1.54011 1.55222 1.55636 1.56777 1.57714 1.58688 1.59856 1.61003 1.61981 1.62280 1.62883 1.63565 1.65597 1.66631 1.68048 1.69706 1.71136 1.71776 1.72405 1.74545 1.74899 1.75318 1.77104 1.77438 1.78621 1.80070 1.81700 1.82249 1.83061 1.83802 1.85095 1.87049 1.87870 2.01817 2.02542 2.03131 2.03669 2.03767 2.04299 2.17557 2.18948 2.20404 2.21990 2.23149 2.23713 2.26268 2.28161 2.29242 2.29870 2.31072 2.31851 2.32982 2.33708 2.34203 2.35777 2.37340 2.38419 2.40584 2.41448 2.41836 2.44059 2.50378 2.51446 2.51542 2.51973 2.52818 2.53777 2.60540 2.62343 2.63179 2.64919 2.66785 2.67818 2.68564 2.69286 2.71105 2.72324 2.73018 2.73218 2.75487 2.76272 2.78169 2.79322 2.81895 2.84421 2.84901 2.86949 2.87463 2.88910 3.05662 3.05950 3.06905 3.07706 3.08173 3.08573 3.09335 3.11117 3.11257 3.11956 3.12636 3.13238 3.13521 3.13828 3.14226 3.14394 3.14459 3.14817 3.15408 3.17250 3.17639 3.18907 3.19614 3.20389 3.21474 3.22973 3.23124 3.23908 3.29511 3.29820 3.30268 3.30521 3.31536 3.31891 3.33155 3.33361 3.34511 3.34966 3.35601 3.36163 3.36775 3.39328 3.65696 3.66840 3.68154 3.68702 3.69854 3.71559 3.74086 3.74995 3.75279 3.75599 3.75901 3.77037 3.77244 3.78330 3.89010 3.90225 3.90247 3.90843 3.91287 3.91848 3.92276 3.93199 3.94087 3.94267 3.94768 3.95353 3.97151 3.99357 4.99527 4.99834 5.00677 5.01027 5.01456 5.01969 5.02403 5.03268 5.03518 5.03854 5.04856 5.05766 5.09304 5.11120 5.36992 5.38588 5.39549 5.39913 5.40668 5.42138 5.43631 5.45567 5.46650 5.47038 5.49136 5.50731 5.51242 5.56053 5.65424 5.65566 5.65778 5.66241 5.67016 5.67307 5.67578 5.68256 5.69087 5.72318 5.73174 5.73894 5.75872 5.78634 49.87646 49.89713 49.89947 49.90546 49.91209 49.91482 49.92247 49.92784 49.93707 49.94361 49.94984 49.95241 49.96006 49.96675 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 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.806157 0.387824 0.336757 -0.769544 0.311459 -0.776703 0.290212 0.407085 0.432917 -0.766529 0.380149 -0.625088 0.331534 -0.667338 0.328404 0.393227 -0.659685 0.364855 0.342319 -0.773673 0.414269 0.314433 -0.766277 0.302886 0.416805 -0.753987 0.413449 0.292134 -0.712489 0.393966 0.368827 -0.649936 0.352288 0.352251 -0.768756 0.306715 0.412807 -0.718506 0.360507 0.408631 0.398807 0.399153 -0.00000 -0.1438 -0.1975 -1.3519 1.3737 -86.7497 -86.1972 -89.8413 1.8611 -1.4404 -2.1067 0.8464 1.3989 -2.2452 1.8611 -1.4404 -2.1067 0.0430 -25.4968 -48.0400 14.4480 6.0440 -18.0318 -21.4133 8.3881 42.4935 -39.4311 -3194.8519 -1399.6395 -1295.1430 21.0586 185.8089 90.7286 -34.9200 -43.4658 52.0468 -643.9307 -765.7163 -480.9990 -107.9971 -120.5023 -67.3136 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GARGANTA LAMSABHI 05-Nov-2024 0 Wavefunction 14H2O CONF15 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1070.6961874 RMSD=2.547e-09 Dipole=-0.061306,0.1560145,0.5138217 Quadrupole=0.7069254,0.4285498,-1.1354752,-1.1986857,1.3283362,-1.8598184 PG=C01 [X(H28O14)] 0 0.3342337056 -1.1992234225 -1.3853174392 0 1.4557343017 -1.6217577252 1.4543619141 0 2.1817307151 -1.3880953501 -1.6953776263 0 -2.2019693398 -2.3453854791 -1.5068800904 0 -2.5409983695 -3.1463847572 -1.9170174506 0 0.7536414257 1.2480331574 2.4347859136 0 0.8473114586 1.468280101 3.3668439137 0 -2.2039821119 -2.4906770619 -0.5187458636 0 1.6598252531 1.3595994755 2.024921063 0 0.5249232976 -1.3313797146 1.3928588203 0 0.5011875534 -0.4647451693 1.8469567763 0 3.1291295831 -1.2460421973 -1.5084214659 0 3.2621285291 -0.2876947414 -1.6291756463 0 3.1488967213 1.2332107648 1.3491384462 0 3.3803494632 0.287059847 1.3672519397 0 3.1855920196 1.4870410138 0.4053698944 0 -3.4637316002 0.1915835134 -1.2994681037 0 -3.078742742 -0.6617793877 -1.5708394494 0 -3.6649153729 0.0803461673 -0.3519401759 0 3.2930428324 -1.6048473141 1.1015442981 0 3.3179576055 -1.5724488924 0.1029065414 0 3.9531290722 -2.244264523 1.3847335842 0 -3.4478335331 0.0245588539 1.5259453029 0 -4.1546518468 0.1965043985 2.1550152285 0 -2.8065235036 0.7879645349 1.5916649663 0 -1.9436897115 2.3732484638 -1.323186572 0 -2.5199612967 1.5651796572 -1.4167309409 0 -2.405838246 3.0919828278 -1.7651111986 0 -1.7414352961 2.0372621047 1.4585648187 0 -0.8219018673 1.8584237179 1.731847727 0 -1.7150255122 2.3238047394 0.5265596413 0 -2.0720629927 -2.3913251408 1.1340472914 0 -1.1498299758 -2.1851587331 1.3740513731 0 -2.588459131 -1.6112313816 1.4140482916 0 3.0745754813 1.6078714167 -1.4151036682 0 3.5851533334 2.2251916657 -1.9470597199 0 2.1216889474 1.6886934787 -1.7049146826 0 0.5723631295 1.4311422661 -2.1683788344 0 0.3945690096 0.4887487458 -1.9660254107 0 -0.4742321534 -1.6820381515 -1.642758162 0 -0.2380026502 1.9056105892 -1.9086541431 0 0.3336811878 -1.2010789813 -0.4037537213 Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3342,-1.1992,-1.3853;1.4557,-1.6218,1.4544;2.1817,-1.3881,-1.6954;-2.202,-2.3454,-1.5069;-2.541,-3.1464,-1.917;.7536,1.248,2.4348;.8473,1.4683,3.3668;-2.204,-2.4907,-.5187;1.6598,1.3596,2.0249;.5249,-1.3314,1.3929;.5012,-.4647,1.847;3.1291,-1.246,-1.5084;3.2621,-.2877,-1.6292;3.1489,1.2332,1.3491;3.3803,.2871,1.3673;3.1856,1.487,.4054;-3.4637,.1916,-1.2995;-3.0787,-.6618,-1.5708;-3.6649,.0803,-.3519;3.293,-1.6048,1.1015;3.318,-1.5724,.1029;3.9531,-2.2443,1.3847;-3.4478,.0246,1.5259;-4.1547,.1965,2.155;-2.8065,.788,1.5917;-1.9437,2.3732,-1.3232;-2.52,1.5652,-1.4167;-2.4058,3.092,-1.7651;-1.7414,2.0373,1.4586;-.8219,1.8584,1.7318;-1.715,2.3238,.5266;-2.0721,-2.3913,1.134;-1.1498,-2.1852,1.3741;-2.5885,-1.6112,1.414;3.0746,1.6079,-1.4151;3.5852,2.2252,-1.9471;2.1217,1.6887,-1.7049;.5724,1.4311,-2.1684;.3946,.4887,-1.966;-.4742,-1.682,-1.6428;-.238,1.9056,-1.9087;.3337,-1.2011,-.4038; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2O/gas/CONF15/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=re 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point 14H2O CONF15 gas Redundant internal coordinates found in file. (old form). 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 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 882 A 798 A 798 1120 882 70 70 1288.5013879911 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0441193717 0.000000 3.082220 0.000000 1.882832 3.240760 0.000000 2.785820 4.761448 4.490964 0.000000 3.512990 5.446518 5.044291 0.961641 0.000000 4.556112 3.112855 5.103613 6.097952 7.007407 0.000000 5.473743 3.684576 5.963694 6.898938 7.790697 0.962297 0.000000 2.976800 4.247552 4.672754 0.998761 1.580726 5.607927 6.330999 0.000000 4.464806 3.042315 4.654335 6.412019 7.313665 1.000802 1.572497 6.018628 0.000000 2.787847 0.976991 3.505058 4.107632 4.863065 2.791289 3.440733 3.527765 2.988122 0.000000 3.318875 1.550474 4.028019 4.700222 5.532955 1.828356 2.483233 4.125396 2.168489 0.978685 0.000000 2.797997 3.423375 0.976062 5.443269 5.994047 5.235670 6.028470 5.565128 4.629550 3.899564 4.333021 0.000000 3.076186 3.814576 1.543543 5.839984 6.475434 5.016647 5.820223 5.997045 4.316640 4.208832 4.442706 0.975039 0.000000 4.616959 3.320951 4.132280 7.042369 7.888190 2.629848 3.069803 6.783041 1.640119 3.669369 3.184532 3.783217 3.346092 0.000000 4.366291 2.712069 3.690871 6.808281 7.591925 2.993776 3.436558 6.515947 2.131449 3.282295 3.014117 3.268488 3.053342 0.974218 0.000000 4.307299 3.709100 3.699633 6.882587 7.723727 3.176482 3.773359 6.761933 2.228711 3.999723 3.618518 3.336994 2.700911 0.977996 1.550194 0.000000 4.045523 5.922240 5.875659 2.840999 3.517789 5.731228 6.479932 3.064477 6.218252 5.047515 5.104051 6.751018 6.750971 7.199094 7.345880 6.985570 0.000000 3.460011 5.534879 5.311838 1.899303 2.565594 5.863411 6.658211 2.284070 6.282475 4.713627 4.953388 6.235618 6.352164 7.134476 7.159089 6.911203 0.974724 0.000000 4.324160 5.690425 6.176117 3.059129 3.758251 5.352848 6.009651 2.961809 5.969826 4.753109 4.742224 7.018248 7.053419 7.116938 7.254937 7.034327 0.975017 1.542746 0.000000 3.886330 1.870954 3.017411 6.127596 6.747154 4.045370 4.534015 5.798907 3.508272 2.796808 3.106433 2.639608 3.031943 2.852482 1.912468 3.171116 7.392295 6.973569 7.305181 0.000000 3.355103 2.301464 2.135140 5.801589 6.394117 4.468613 5.099354 5.632177 3.878202 3.085957 3.493267 1.654864 2.157271 3.074638 2.249497 3.077253 7.146312 6.674468 7.190211 0.999474 0.000000 4.675649 2.574751 3.654855 6.801242 7.340918 4.851337 5.230473 6.449339 4.319365 3.547678 3.911041 3.169506 3.659139 3.569438 2.595378 3.933307 8.255187 7.790179 8.151960 0.961647 1.580462 0.000000 4.927182 5.173051 6.638110 4.045596 4.767728 4.469370 4.890962 3.471936 5.302781 4.199890 3.992147 7.353792 7.421313 6.708871 6.835069 6.884539 2.830391 3.193331 1.891214 6.947985 7.095872 7.742206 0.000000 5.884905 5.939143 7.581967 4.866585 5.510012 5.027457 5.301470 4.263221 5.931093 4.981339 4.712642 8.279806 8.340454 7.420648 7.576610 7.655451 3.522904 3.971930 2.556983 7.734522 7.948600 8.502164 0.961710 0.000000 4.761900 4.898209 6.357874 4.447960 5.278301 3.687450 4.118810 3.945425 4.523577 3.953439 3.546182 6.998550 6.954092 5.976964 6.211172 6.148289 3.024276 3.489598 2.239456 6.570424 6.730321 7.411487 0.999193 1.576274 0.000000 4.237375 5.935565 5.595116 4.729266 5.583526 4.760679 5.532182 4.936866 5.022214 5.214904 4.907285 6.234346 5.854468 5.863058 6.319496 5.484779 2.659089 3.249780 3.027101 7.009132 6.729577 7.964090 3.987022 4.660950 3.428406 0.000000 3.973580 5.848581 5.559261 3.924508 4.738098 5.064705 5.850684 4.166077 5.418288 5.055212 4.888721 6.310595 6.075429 6.316343 6.648144 5.989950 1.670694 2.301159 2.156254 7.083911 6.799655 8.016294 3.448739 4.159670 3.120357 0.996903 0.000000 5.105555 6.891741 6.412624 5.447313 6.241680 5.569704 6.289384 5.723658 5.821951 6.174810 5.843642 7.037060 6.600496 6.633903 7.152570 6.208939 3.122223 3.818543 3.557005 7.921816 7.616315 8.878824 4.617997 5.177793 4.091087 0.962007 1.570198 0.000000 4.782354 4.859047 6.088650 5.311643 6.237311 2.793080 3.266019 4.962453 3.514052 4.060597 3.382343 6.580691 6.322596 4.957199 5.413338 5.068290 3.738928 4.272061 3.287434 6.224018 6.361233 7.124955 2.639566 3.114008 1.647080 2.809259 3.016006 3.456292 0.000000 4.516921 4.168487 5.595317 5.483243 6.427878 1.830037 2.368902 5.088221 2.548271 3.479037 2.675991 5.978938 5.708030 4.037895 4.501225 4.237626 4.352757 4.727843 3.947969 5.415191 5.618076 6.305034 3.209513 3.748102 2.259260 3.294949 3.589282 4.032275 0.975812 0.000000 4.501829 5.146066 5.822363 5.115988 6.047832 3.300444 3.919784 4.950856 3.816333 4.373582 3.798823 6.352227 6.019899 5.052106 5.551391 4.973018 3.307373 3.895192 3.099506 6.391061 6.378965 7.330191 3.047610 3.623403 2.164399 1.864482 2.236026 2.513777 0.975417 1.570659 0.000000 3.682196 3.624940 5.206426 2.644520 3.177894 4.787636 5.329604 1.661023 5.365639 2.816879 3.292654 5.945311 6.365081 6.359398 6.079221 6.573860 3.811844 3.364691 3.294616 5.422542 5.548525 6.032198 2.807637 3.475113 3.294955 5.362429 4.728743 6.211537 4.452753 4.469970 4.767491 0.000000 3.284605 2.666990 4.599565 3.071227 3.700059 4.066346 4.615995 2.187981 4.569804 1.879918 2.430910 5.244052 5.664373 5.492260 5.160856 5.763617 4.260370 3.835853 3.799633 4.488891 4.685333 5.103313 3.191668 3.912950 3.410491 5.355780 4.871423 6.267386 4.264502 4.072605 4.622601 0.974998 0.000000 4.067964 4.044408 5.698511 3.036475 3.668099 4.515189 5.010122 2.157995 5.219858 3.126006 3.323817 6.431564 6.726242 6.404086 6.263575 6.629962 3.373339 3.170393 2.671873 5.889802 6.050319 6.572212 1.851177 2.503977 2.415624 4.876911 4.255301 5.679844 3.745789 3.906434 4.127352 0.976530 1.549402 0.000000 3.923027 4.613565 3.138717 6.593830 7.374926 4.509753 5.277046 6.742754 3.727858 4.798393 4.643178 2.855960 1.916814 2.790507 3.095084 1.827854 6.690942 6.560403 6.991737 4.086907 3.532425 4.842509 7.327924 8.185318 6.655842 5.077129 5.594700 5.688587 5.624616 5.014840 5.217556 6.998545 6.325509 7.101879 0.000000 4.755066 5.559057 3.884428 7.387471 8.147667 5.307812 6.025468 7.602209 4.498085 5.759276 5.580427 3.528431 2.553428 3.469765 3.844862 2.497687 7.364898 7.272115 7.727112 4.903928 4.323867 5.586796 8.146622 8.991506 7.445920 5.565900 6.163545 6.056105 6.325041 5.752479 5.849822 7.925247 7.273310 8.008038 0.961640 0.000000 3.411334 4.624242 3.077389 5.916674 6.720389 4.382106 5.234057 6.130707 3.772704 4.611584 4.458600 3.109054 2.283079 3.254207 3.603750 2.371888 5.796779 5.708519 6.156469 4.482822 3.915907 5.326186 6.650367 7.517855 5.997168 4.140246 4.652228 4.740395 5.005280 4.528230 4.483662 6.503369 5.932082 6.542395 0.999257 1.577401 0.000000 2.754762 4.819211 3.280533 4.732511 5.541656 4.610371 5.542172 5.080359 4.332604 4.507349 4.440988 3.760308 3.237280 4.364703 4.657724 3.668279 4.310635 4.250641 4.804022 5.226062 4.660320 6.128850 5.638128 6.523859 5.095928 2.816458 3.185186 3.433759 4.344625 4.163930 3.645777 5.701777 5.347186 5.663976 2.619107 3.123524 1.637541 0.000000 1.786089 4.156845 2.605713 3.871065 4.672703 4.480244 5.440951 4.209996 4.276319 3.822560 3.931838 3.270584 2.989854 4.373883 4.479543 3.796039 3.926715 3.680188 4.387651 4.711080 4.132217 5.600027 5.212810 6.145225 4.795173 3.071162 3.155141 3.828769 4.322988 4.126751 3.745771 4.897913 4.548743 4.973256 2.956076 3.632550 2.119195 0.980134 0.000000 0.976219 3.649734 2.672697 1.855685 2.547754 5.169077 6.063588 2.215702 5.220884 3.215003 3.822480 3.632128 3.988078 5.529664 5.272125 5.256634 3.544773 2.798138 3.866868 4.661493 4.176130 5.392896 4.668561 5.612263 4.690628 4.325134 3.844544 5.151441 5.005717 4.903439 4.721471 3.281280 3.132204 3.717396 4.844519 5.642487 4.254938 3.326189 2.360431 0.000000 3.200208 5.159549 4.092566 4.699953 5.552163 4.503470 5.403707 5.012411 4.401465 4.686166 4.502177 4.629328 4.140002 4.747254 5.142348 4.153421 3.703286 3.843880 4.183142 5.818324 5.365457 6.755254 5.063383 5.896999 4.483154 1.863015 2.359071 2.475398 3.689960 3.687332 2.878671 5.575434 5.323718 5.378957 3.362353 3.836682 2.378383 0.974305 1.552719 3.605236 0.000000 0.981566 2.211011 2.262422 2.992632 3.786550 3.772509 4.648301 2.848863 3.770172 1.811455 2.374014 3.006134 3.303291 4.113859 3.825337 4.001758 4.142723 3.646583 4.199227 3.344663 3.049676 4.169811 4.418798 5.352165 4.218871 4.336772 4.101413 5.271493 4.273312 3.905985 4.181804 3.093400 2.515911 3.465766 4.052843 4.969225 3.638788 3.177965 2.302155 1.555371 3.499010 0.000000 H28O14 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 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3001,.9889,1.5442;1.4062,1.8746,-1.1929;2.1408,1.1864,1.8875;-2.2712,2.0227,1.8279;-2.6354,2.7407,2.3539;.7953,-.8328,-2.6024;.8954,-.9053,-3.5567;-2.2783,2.3168,.8735;1.7047,-.977,-2.2103;.4851,1.5491,-1.1805;.4887,.7615,-1.7615;3.0921,1.1045,1.6853;3.2556,.1436,1.6591;3.1893,-.9082,-1.5167;3.3906,.0364,-1.3893;3.2345,-1.3017,-.6224;-3.4518,-.4914,1.2308;-3.094,.3223,1.6307;-3.6569,-.2434,.3104;3.2433,1.862,-.8388;3.2697,1.6785,.1433;3.8826,2.5576,-1.0183;-3.4426,.1048,-1.5361;-4.1439,.0086,-2.1871;-2.7773,-.619,-1.7146;-1.8631,-2.6022,.9284;-2.4648,-1.8364,1.1415;-2.302,-3.3941,1.2536;-1.673,-1.8398,-1.7688;-.7597,-1.5926,-2.0076;-1.637,-2.2642,-.8912;-2.1441,2.4748,-.7745;-1.2159,2.3368,-1.0391;-2.6356,1.7307,-1.1724;3.1283,-1.7021,1.1578;3.6585,-2.377,1.5917;2.1786,-1.8562,1.4278;.6221,-1.7212,1.9183;.4143,-.7651,1.8611;-.5232,1.4012,1.8687;-.1729,-2.1758,1.5857;.299,1.1404,.5744; 0.4001415 0.2435266 0.2374567 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. One-electron integral symmetry used in STVInt NBasis= 798 RedAO= T EigKep= 1.22D-04 NBF= 798 NBsUse= 798 1.00D-06 EigRej= -1.00D+00 NBFU= 798 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 875 869 869 875 875 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.70759268830 -1070.73599298881 -0.028400300509 -1070.73614669625 -0.000153707444 -1070.73623794359 -0.000091247336 -1070.73625238916 -0.000014445575 -1070.73625312642 -0.000000737258 -1070.73625319362 -0.000000067198 -1070.73625320437 -0.000000010747 -1070.73625320443 -0.000000000061 -1070.73625320442 0.000000000010 -1070.73625320 10 1.067125379039e+03 -5.109997833007e+03 1.683678932144e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323049106 LenY= 11322270300 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. PT3979S Tue Nov 5 02:46:34 2024 -19.13949 -19.13807 -19.13624 -19.13568 -19.13556 -19.13401 -19.12827 -19.12182 -19.11837 -19.11768 -19.11703 -19.11546 -19.11545 -19.10713 -1.03637 -1.03121 -1.02859 -1.02638 -1.02404 -1.02218 -1.01632 -1.00985 -1.00361 -1.00245 -1.00058 -0.99784 -0.99424 -0.98873 -0.55653 -0.55448 -0.55323 -0.55131 -0.55079 -0.54812 -0.54012 -0.53537 -0.53187 -0.53007 -0.52754 -0.52496 -0.52272 -0.51913 -0.45671 -0.44953 -0.43285 -0.43043 -0.42424 -0.41895 -0.40571 -0.40380 -0.39611 -0.39183 -0.38085 -0.37810 -0.37224 -0.35702 -0.33820 -0.33719 -0.33508 -0.33401 -0.33329 -0.33054 -0.32959 -0.32328 -0.31916 -0.31825 -0.31651 -0.31552 -0.31494 -0.30868 -0.01061 0.01191 0.02289 0.02372 0.03496 0.03644 0.06417 0.07432 0.08238 0.08824 0.09143 0.09699 0.10017 0.10427 0.11284 0.11391 0.12504 0.12866 0.13552 0.14034 0.14294 0.14770 0.15253 0.16013 0.16515 0.16586 0.17190 0.17700 0.17806 0.18166 0.18690 0.19182 0.19620 0.19998 0.20845 0.21380 0.21698 0.21994 0.22044 0.22308 0.22673 0.23040 0.23155 0.23705 0.24272 0.24576 0.25050 0.25397 0.25605 0.25981 0.26071 0.26734 0.26951 0.26986 0.27167 0.27569 0.28076 0.28246 0.28357 0.28896 0.29534 0.29637 0.29914 0.30260 0.30754 0.31187 0.31742 0.33011 0.33515 0.34365 0.34987 0.37468 0.39398 0.40645 0.41327 0.41919 0.42257 0.43188 0.44219 0.44499 0.44992 0.45288 0.45867 0.48606 0.49032 0.49302 0.49734 0.50173 0.51544 0.51822 0.51925 0.52331 0.52625 0.53555 0.54017 0.54294 0.54441 0.54952 0.55376 0.55985 0.56346 0.56857 0.57905 0.58183 0.58759 0.59396 0.60651 0.61415 0.61847 0.62130 0.63105 0.63958 0.64617 0.65333 0.66191 0.66860 0.68139 0.68408 0.68632 0.69278 0.69944 0.70959 0.71241 0.71776 0.72189 0.72827 0.73525 0.73936 0.74825 0.75975 0.77250 0.78091 0.78825 0.79435 0.80464 0.80539 0.81639 0.82554 0.82978 0.83396 0.83651 0.84677 0.85029 0.85522 0.85707 0.86414 0.86553 0.87150 0.87683 0.88365 0.89171 0.89311 0.89710 0.90032 0.90778 0.91366 0.92105 0.92632 0.92735 0.93407 0.94019 0.94400 0.95063 0.95489 0.96025 0.96647 0.96818 0.97348 0.98261 0.98660 0.98743 0.99459 1.00069 1.00263 1.00921 1.01287 1.01692 1.02069 1.02474 1.03052 1.03568 1.04250 1.04873 1.05185 1.05798 1.06305 1.06795 1.07316 1.07704 1.07868 1.08293 1.08867 1.09390 1.09868 1.10776 1.10872 1.11504 1.11849 1.12116 1.13058 1.13447 1.14236 1.14632 1.15053 1.15665 1.15799 1.16904 1.17309 1.18219 1.18477 1.18891 1.19634 1.19916 1.21180 1.21477 1.22106 1.23691 1.24141 1.24488 1.24721 1.25582 1.26088 1.26344 1.26925 1.27640 1.28557 1.28979 1.29770 1.31315 1.31476 1.33547 1.34106 1.35234 1.35763 1.36173 1.36992 1.37669 1.37985 1.38657 1.39166 1.40450 1.40666 1.41520 1.41910 1.42443 1.43428 1.44037 1.44305 1.44377 1.45766 1.45916 1.46735 1.47469 1.49789 1.50379 1.50539 1.51092 1.52145 1.52481 1.53673 1.54384 1.55421 1.55994 1.57251 1.57375 1.58097 1.59636 1.60465 1.60892 1.62831 1.63108 1.63903 1.65374 1.65732 1.67261 1.67606 1.70137 1.71471 1.71866 1.73390 1.73827 1.74706 1.75512 1.76663 1.79236 1.79890 1.81327 1.84815 1.85461 1.88830 1.92493 1.92977 1.93768 1.97695 1.99371 2.02587 2.03692 2.05024 2.05947 2.06970 2.07655 2.09490 2.09658 2.11334 2.12463 2.13623 2.16049 2.16575 2.17541 2.19938 2.20570 2.21549 2.23553 2.23966 2.25894 2.27014 2.27374 2.28910 2.29208 2.30293 2.32271 2.35482 2.69771 2.70800 2.71177 2.72624 2.73723 2.75022 2.75633 2.76834 2.77163 2.78794 2.80298 2.80890 2.82511 2.83756 2.84189 2.86065 2.87270 2.87774 2.89236 2.89872 2.92555 2.93837 2.97363 2.98863 3.00820 3.03027 3.05086 3.08625 3.10102 3.12694 3.15877 3.17237 3.18393 3.18613 3.19596 3.19707 3.21342 3.23130 3.23953 3.24535 3.25361 3.26310 3.27151 3.27995 3.28236 3.28515 3.29922 3.30183 3.31634 3.33101 3.33441 3.34374 3.34885 3.36070 3.36979 3.38005 3.38490 3.39564 3.39919 3.40235 3.40759 3.41297 3.42069 3.42830 3.43762 3.43849 3.44984 3.45300 3.45512 3.46732 3.46971 3.47754 3.47855 3.48106 3.48663 3.49147 3.49628 3.50140 3.50812 3.51045 3.51588 3.52695 3.53463 3.53687 3.54319 3.55189 3.55358 3.56372 3.56758 3.58031 3.58620 3.59262 3.59673 3.62264 3.62319 3.62789 3.64451 3.65238 3.79974 3.80940 3.81317 3.81656 3.82225 3.85540 3.88599 3.91088 3.91782 3.94282 3.95584 3.97906 3.99363 4.01320 4.02702 4.02815 4.03583 4.05353 4.05731 4.06265 4.10020 4.11116 4.12982 4.13987 4.14629 4.15019 4.15825 4.16048 4.16794 4.17344 4.18251 4.19902 4.20570 4.22613 4.23313 4.24314 4.25567 4.27457 4.28261 4.28627 4.30224 4.32736 4.33154 4.33979 4.34530 4.34735 4.35622 4.35872 4.36131 4.37728 4.38068 4.40234 4.41408 4.43344 4.44018 4.47627 4.63201 4.63657 4.64343 4.64434 4.65132 4.65226 4.70218 4.72163 4.72684 4.73094 4.73813 4.76721 4.77526 4.77845 4.82804 4.83756 4.84427 4.85005 4.86036 4.86643 4.87380 4.87626 4.88550 4.89643 4.90120 4.90448 4.92568 4.93901 5.08344 5.09271 5.10248 5.11893 5.12991 5.13346 5.13453 5.14260 5.15344 5.15900 5.16264 5.17135 5.17693 5.18075 5.18937 5.19446 5.20375 5.22307 5.22739 5.23263 5.23437 5.24266 5.25093 5.25555 5.25934 5.26456 5.27305 5.27847 5.28346 5.28555 5.29831 5.30442 5.31015 5.32224 5.32742 5.33426 5.33698 5.34680 5.35159 5.36166 5.36943 5.37329 5.38023 5.38768 5.39206 5.39667 5.39904 5.40350 5.41676 5.42159 5.42417 5.42797 5.43592 5.44707 5.45663 5.46400 5.46900 5.47302 5.48403 5.48596 5.49276 5.50203 5.50739 5.51107 5.51438 5.53071 5.53599 5.53929 5.54583 5.54948 5.55583 5.56842 5.57056 5.57895 5.58517 5.58840 5.58996 5.59632 5.59950 5.60595 5.60948 5.61363 5.62404 5.62670 5.63406 5.64306 5.65150 5.65680 5.66803 5.68338 5.69654 5.70954 5.73578 5.75037 5.75490 5.75867 5.76436 5.77378 5.78392 5.79728 5.81006 5.83178 5.83661 5.84940 5.85147 5.86556 5.87331 5.88387 5.89735 5.91819 5.93570 5.93911 6.90831 6.91678 6.92174 6.92958 6.93574 6.94012 6.99816 7.00266 7.00590 7.01451 7.01779 7.01786 7.02435 7.02906 7.04074 7.04482 7.04667 7.06055 7.07115 7.07542 7.08563 7.08974 7.10640 7.12317 7.13846 7.15167 7.16641 7.19799 14.34907 14.35260 14.36230 14.36429 14.36778 14.38177 14.38650 14.39226 14.39354 14.39896 14.40131 14.40502 14.40624 14.40957 14.41271 14.41731 14.41985 14.42026 14.42743 14.43045 14.43372 14.44455 14.45092 14.45346 14.46196 14.46435 14.46534 14.46941 14.47213 14.47574 14.48014 14.48201 14.49146 14.49502 14.50090 14.50302 14.50765 14.51767 14.52172 14.52465 14.53223 14.56353 14.65549 14.66052 14.66506 14.66902 14.67247 14.67465 14.68422 14.68622 14.69451 14.69473 14.69934 14.70584 14.71224 14.71267 15.03545 15.03689 15.03762 15.03831 15.03983 15.04188 15.07313 15.08002 15.08087 15.08391 15.08802 15.09055 15.09956 15.10663 50.00182 50.02188 50.02441 50.02920 50.03090 50.03974 50.04725 50.05179 50.06453 50.07337 50.08458 50.09230 50.10868 50.13154 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 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.842079 0.342877 0.326832 -0.741832 0.270495 -0.814823 0.244054 0.473413 0.533536 -0.746824 0.399603 -0.662315 0.330014 -0.729483 0.329707 0.399856 -0.695907 0.351338 0.345308 -0.738440 0.473046 0.272629 -0.759922 0.259328 0.499167 -0.758324 0.495552 0.253844 -0.770904 0.414879 0.375961 -0.711376 0.348645 0.364666 -0.747612 0.258916 0.484684 -0.790553 0.400767 0.386488 0.385880 0.488908 -0.00000 -0.1368 -0.1963 -1.2967 1.3186 -85.9029 -85.5530 -88.9529 1.7832 -1.4564 -1.9397 0.9000 1.2499 -2.1499 1.7832 -1.4564 -1.9397 0.4465 -24.4916 -46.4346 13.7588 5.9836 -17.3104 -20.7030 7.9536 41.2002 -37.8466 -3174.7862 -1392.8448 -1289.6017 20.5487 181.3913 87.4421 -35.9995 -44.1402 54.0285 -640.6084 -756.7885 -477.1107 -104.1618 -116.2627 -64.6144 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GARGANTA LAMSABHI 05-Nov-2024 0 Single Point 14H2O CONF15 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1070.7362532 RMSD=1.036e-09 Dipole=-0.0584633,0.15234,0.4924477 Quadrupole=0.7429593,0.3632934,-1.1062528,-1.136242,1.326635,-1.7141143 PG=C01 [X(H28O14)] 0 0.3342337056 -1.1992234225 -1.3853174392 0 1.4557343017 -1.6217577252 1.4543619141 0 2.1817307151 -1.3880953501 -1.6953776263 0 -2.2019693398 -2.3453854791 -1.5068800904 0 -2.5409983695 -3.1463847572 -1.9170174506 0 0.7536414257 1.2480331574 2.4347859136 0 0.8473114586 1.468280101 3.3668439137 0 -2.2039821119 -2.4906770619 -0.5187458636 0 1.6598252531 1.3595994755 2.024921063 0 0.5249232976 -1.3313797146 1.3928588203 0 0.5011875534 -0.4647451693 1.8469567763 0 3.1291295831 -1.2460421973 -1.5084214659 0 3.2621285291 -0.2876947414 -1.6291756463 0 3.1488967213 1.2332107648 1.3491384462 0 3.3803494632 0.287059847 1.3672519397 0 3.1855920196 1.4870410138 0.4053698944 0 -3.4637316002 0.1915835134 -1.2994681037 0 -3.078742742 -0.6617793877 -1.5708394494 0 -3.6649153729 0.0803461673 -0.3519401759 0 3.2930428324 -1.6048473141 1.1015442981 0 3.3179576055 -1.5724488924 0.1029065414 0 3.9531290722 -2.244264523 1.3847335842 0 -3.4478335331 0.0245588539 1.5259453029 0 -4.1546518468 0.1965043985 2.1550152285 0 -2.8065235036 0.7879645349 1.5916649663 0 -1.9436897115 2.3732484638 -1.323186572 0 -2.5199612967 1.5651796572 -1.4167309409 0 -2.405838246 3.0919828278 -1.7651111986 0 -1.7414352961 2.0372621047 1.4585648187 0 -0.8219018673 1.8584237179 1.731847727 0 -1.7150255122 2.3238047394 0.5265596413 0 -2.0720629927 -2.3913251408 1.1340472914 0 -1.1498299758 -2.1851587331 1.3740513731 0 -2.588459131 -1.6112313816 1.4140482916 0 3.0745754813 1.6078714167 -1.4151036682 0 3.5851533334 2.2251916657 -1.9470597199 0 2.1216889474 1.6886934787 -1.7049146826 0 0.5723631295 1.4311422661 -2.1683788344 0 0.3945690096 0.4887487458 -1.9660254107 0 -0.4742321534 -1.6820381515 -1.642758162 0 -0.2380026502 1.9056105892 -1.9086541431 0 0.3336811878 -1.2010789813 -0.4037537213