Gaussian 16 GINC-O0305 RABBANI15 Checking optimization ES64L-G16RevA.03 13-Dec-2023 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 96 51 C1[X(H3Mo7S24)] CS[SG(HMoS4),X(H2Mo6S20)] UM06L Gen/Auto FOpt #p opt freq um06l/gen/auto pseudo=read scf=(xqc,intrep,maxconventionalcycle=350) 1441.140000000001 -3 1 AuxInfo=1/0/N:1;2;7;12;17;22;27;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;23;24;25;26;28;29;30;31;32;33;34/rA:34nMoMoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:;3.962,0,0;1.759,-1.014,1.326;3.347,-1.933,-1.291;5.261,.791,-1.58;5.261,-.791,1.58;-1.98,3.429,-.002;0,2.027,1.325;0,3.866,-1.294;-3.321,4.161,-1.575;-1.938,4.949,1.577;-1.98,-3.429,.002;-1.759,-1.014,1.326;-3.347,-1.933,-1.291;-1.938,-4.949,-1.577;-3.321,-4.161,1.575;-3.962,0,0;-1.759,1.014,-1.326;-3.347,1.933,1.291;-5.261,-.791,1.58;-5.261,.791,-1.58;1.98,-3.429,.002;0,-2.027,-1.325;0,-3.866,1.294;3.321,-4.161,1.575;1.938,-4.949,-1.577;1.98,3.429,-.002;1.759,1.014,-1.326;3.347,1.933,1.291;1.938,4.949,1.577;3.321,4.161,-1.575;-1.647,-.948,2.63;1.647,-.948,2.63;0,-1.897,-2.629; g16 H 0 nprocshared=28 mem=110gb chk=01.chk #p opt freq um06l/gen/auto pseudo=read scf=(xqc,intrep,maxconventional 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=7,11=2,16=1,17=8,25=1,30=1,71=1,74=-53,82=28,116=2/1,2,3 4//1 5/5=2,8=3,13=1,17=20,38=5,85=350/2,8 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=7,6=1,11=2,16=1,17=8,25=1,30=1,71=1,74=-53,82=7,116=2/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,17=20,38=5,85=350/2,8 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 Checking optimization 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 98 98 32 32 32 32 98 32 32 32 32 98 32 32 32 32 98 32 32 32 32 98 32 32 32 32 98 32 32 32 32 1 1 1 97.9055000 97.9055000 31.9720718 31.9720718 31.9720718 31.9720718 97.9055000 31.9720718 31.9720718 31.9720718 31.9720718 97.9055000 31.9720718 31.9720718 31.9720718 31.9720718 97.9055000 31.9720718 31.9720718 31.9720718 31.9720718 97.9055000 31.9720718 31.9720718 31.9720718 31.9720718 97.9055000 31.9720718 31.9720718 31.9720718 31.9720718 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -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/g16a03/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 1 1 1 1 1 1 2 2 2 2 2 3 3 4 7 7 7 7 7 8 9 12 12 12 12 12 13 14 17 17 17 22 22 22 23 27 27 27 3 8 13 18 23 28 3 4 5 6 29 22 33 22 8 9 10 11 19 27 27 13 14 15 16 24 32 17 19 20 21 24 25 26 34 29 30 31 2.425 2.4216 2.425 2.425 2.4216 2.425 2.764 2.4045 2.1931 2.1931 2.4045 2.763 1.3105 2.4039 2.7653 2.4043 2.1928 2.1921 2.4039 2.7653 2.4043 2.763 2.4039 2.1921 2.1928 2.4043 1.3105 2.4045 2.4045 2.1931 2.1931 2.4043 2.1928 2.1921 1.3105 2.4039 2.1921 2.1928 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 3 3 3 3 8 8 8 13 13 18 18 23 3 3 3 3 4 4 4 5 5 6 1 1 1 2 2 22 2 8 8 8 8 9 9 9 10 10 11 1 1 7 7 13 13 13 13 14 14 14 15 15 16 1 1 12 12 14 14 14 19 19 20 7 3 3 3 3 4 4 4 24 24 25 1 12 8 8 8 8 9 9 9 29 29 30 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 4 7 7 7 7 7 7 7 7 7 7 8 8 8 9 12 12 12 12 12 12 12 12 12 12 13 13 13 14 17 17 17 17 17 17 19 22 22 22 22 22 22 22 22 22 22 23 24 27 27 27 27 27 27 27 27 27 27 29 8 13 23 28 13 18 28 18 23 23 28 28 4 5 6 29 5 6 29 6 29 29 2 22 33 22 33 33 22 9 10 11 19 10 11 19 11 19 19 7 27 27 27 14 15 16 24 15 16 24 16 24 24 12 32 32 17 19 20 21 20 21 21 17 4 24 25 26 24 25 26 25 26 26 34 22 9 29 30 31 29 30 31 30 31 31 27 92.9129 92.9985 87.0871 87.0015 92.9129 87.0871 87.0871 87.0015 87.0871 92.9129 92.9985 92.9129 76.0422 161.8154 89.6648 80.4147 93.1321 104.3809 150.3609 107.3557 104.3809 93.1321 99.347 99.2926 117.4553 91.5481 121.8041 121.8493 110.9135 76.135 162.0548 89.5515 80.4178 93.2945 104.1975 150.5134 107.2749 104.2308 93.1513 99.312 99.312 91.4527 110.8787 76.0711 161.7497 89.8249 80.5313 93.1513 104.2308 150.5134 107.2749 104.1975 93.2945 99.2926 117.4553 121.8493 110.9135 150.3609 104.3809 93.1321 93.1321 104.3809 107.3557 110.9135 76.0711 80.5313 89.8249 161.7497 150.5134 104.2308 93.1513 93.2945 104.1975 107.2749 117.4785 110.8787 76.135 80.4178 89.5515 162.0548 150.5134 104.1975 93.2945 93.1513 104.2308 107.2749 110.9135 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A88 A89 A90 A91 A92 A93 3 8 13 3 8 13 1 1 1 1 1 1 18 23 28 18 23 28 8 3 3 8 3 3 -1 -1 -1 -2 -2 -2 180.0 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 180.0 180.0 180.0 180.0 180.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 8 8 8 13 13 13 23 23 23 28 28 28 3 3 13 13 18 18 28 28 7 27 3 3 8 8 18 18 23 23 3 13 18 28 4 4 4 5 5 5 6 6 6 29 29 29 3 5 6 29 3 4 5 6 1 1 1 1 2 2 2 2 33 33 33 33 2 2 2 2 9 9 10 10 11 11 19 19 8 10 11 19 8 9 10 11 1 1 1 1 7 7 7 7 7 7 7 7 14 14 15 15 16 16 24 24 13 15 16 24 13 14 15 16 12 12 12 14 20 21 3 4 25 26 8 9 30 31 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 8 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 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 14 14 14 17 17 17 22 22 22 22 27 27 27 27 3 3 3 3 3 3 3 3 3 3 3 3 8 8 8 8 8 8 8 8 23 23 13 13 13 13 13 13 13 13 23 23 23 23 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 29 29 29 29 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 8 8 8 8 8 8 8 8 9 9 9 9 19 19 19 19 27 27 27 27 27 27 27 27 27 27 27 27 13 13 13 13 13 13 13 13 14 14 14 14 24 24 24 24 17 17 17 19 19 19 24 24 24 24 29 29 29 29 2 22 33 2 22 33 2 22 33 2 22 33 7 27 7 27 7 27 7 27 34 34 12 32 12 32 12 32 12 32 34 34 34 34 1 22 33 1 22 33 1 22 33 1 22 33 22 22 22 22 27 27 27 27 4 24 25 26 4 24 25 26 4 24 25 26 3 24 25 26 1 27 1 27 1 27 1 27 27 27 27 27 17 17 17 17 9 29 30 31 9 29 30 31 8 29 30 31 1 32 1 32 1 32 1 32 17 17 17 17 22 22 22 22 19 20 21 7 7 7 12 12 12 12 2 2 2 2 -86.9264 179.9393 46.5 180.0 86.8657 -46.5737 93.0736 -0.0607 -133.5 0.0 -93.1343 133.4263 179.9394 86.9058 -86.9058 -179.9394 -0.0606 -93.0942 93.0942 0.0606 46.5168 -46.5168 -86.8657 46.5737 -179.9393 -46.5 93.1343 -133.4263 0.0607 133.5 -133.4226 133.4226 46.5774 -46.5774 -83.7778 15.903 145.5384 -28.9642 70.7165 -159.6481 171.3075 -89.0118 40.6237 78.0743 177.7551 -52.6095 -19.6962 175.1034 66.2927 -58.0879 -95.7665 -58.0879 66.2927 175.1034 83.828 -78.0863 -171.4556 28.6649 -15.905 -177.8193 88.8114 -71.0681 -145.5065 52.5792 -40.7901 159.3304 19.7012 58.1707 -66.5062 -175.2166 -83.8218 15.8604 -28.5733 71.1089 171.4304 -88.8874 78.1585 177.8407 -19.6524 175.0364 66.2898 -57.9466 -95.7715 -58.1707 66.5062 175.2166 83.8218 -78.1585 -171.4304 28.5733 -15.8604 -177.8407 88.8874 -71.1089 19.6524 57.9466 -66.2898 -175.0364 -83.828 145.5065 -28.6649 -159.3304 171.4556 40.7901 78.0863 -52.5792 -19.7012 175.2166 66.5062 -58.1707 -95.6914 -57.9466 66.2898 175.0364 58.0879 -66.2927 -175.1034 58.0879 -175.1034 -66.2927 95.6914 57.9466 -175.0364 -66.2898 95.7715 58.1707 -175.2166 -66.5062 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 2 Symmetry operations used in ECPInt. ECPInt: NShTT= 49141 NPrTT= 181532 LenC2= 38933 LenP2D= 88933. LDataN: DoStor=T MaxTD1= 8 Len= 415 NBasis= 839 RedAO= T EigKep= 1.31D-03 NBF= 445 394 NBsUse= 839 1.00D-06 EigRej= -1.00D+00 NBFU= 445 394 Berny optimization. local minimum Step number 35 out of a maximum of 204 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00051 0.00448 0.00529 0.00716 0.00833 0.01061 0.01176 0.01281 0.01369 0.01570 0.01688 0.01811 0.02265 0.02504 0.02687 0.03099 0.03407 0.03638 0.03713 0.04044 0.04133 0.04475 0.05087 0.05314 0.05523 0.05907 0.06231 0.06580 0.06705 0.07327 0.07564 0.07892 0.07932 0.08291 0.08760 0.08992 0.09265 0.09754 0.09955 0.10401 0.10661 0.10959 0.11107 0.11265 0.11489 0.11748 0.11839 0.11992 0.12015 0.12141 0.12266 0.12356 0.12586 0.12610 0.12849 0.13123 0.13253 0.13543 0.13705 0.13999 0.14393 0.14539 0.14722 0.14960 0.15095 0.15375 0.15443 0.15996 0.16445 0.16715 0.17142 0.18333 0.19081 0.20004 0.20258 0.20642 0.20677 0.20739 0.20818 0.20869 0.20922 0.21124 0.21192 0.21605 0.22331 0.23085 0.23536 0.24481 0.24994 0.25816 0.28059 0.28793 0.29012 0.29878 0.31953 0.38174 -1.09348839e-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 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 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 5.24935 4.43446 5.24952 4.07793 4.82098 4.07790 5.01484 4.59834 4.07281 4.04123 4.48003 5.18964 2.55700 4.58294 5.10892 4.54612 4.07537 4.04160 4.54487 5.10862 4.54552 5.18875 4.58347 4.06330 4.05102 4.55204 2.55694 4.59777 4.48050 4.04126 4.07279 4.55196 4.05091 4.06326 2.55033 4.54554 4.04157 4.07535 1.40371 1.34095 1.23730 1.49229 1.40360 1.87541 1.87546 1.49231 1.23733 1.62834 1.90824 1.62841 1.24972 2.58521 1.76055 1.40181 1.62058 1.79961 2.55090 1.91737 1.77550 1.75168 1.77078 1.91608 1.92642 1.67180 1.96690 2.16041 1.93927 1.32847 2.67110 1.70629 1.40912 1.62291 1.78332 2.63305 1.89726 1.74431 1.71456 1.61844 1.61867 1.60111 1.87685 1.22360 2.64589 1.68456 1.43507 1.65991 1.77684 2.58813 1.92843 1.79208 1.68085 1.91588 1.92766 2.15952 1.93928 2.55086 1.79961 1.62088 1.75153 1.77548 1.91729 2.07869 1.22334 1.43453 1.68513 2.64565 2.58751 1.77685 1.66053 1.68101 1.79205 1.92826 1.83248 2.03665 1.32861 1.40887 1.70648 2.67104 2.63288 1.78356 1.62325 1.71453 1.74393 1.89726 2.07839 3.27913 2.64101 2.83324 3.48577 2.72904 2.95180 -1.64684 2.88227 0.44205 -3.08337 1.44575 -0.99447 1.90730 0.15324 -2.28699 0.24801 -1.50605 2.33691 -3.02165 1.65807 -1.65818 3.02154 -0.22423 -1.82769 1.82758 0.22411 0.84085 -0.84439 -1.44532 0.99462 -2.88199 -0.44204 1.50637 -2.33687 -0.15284 2.28711 -2.42542 2.42255 0.95500 -0.95793 -1.54142 0.40587 2.68186 -0.42119 1.52610 -2.48109 2.99047 -1.34543 0.93056 1.26600 -3.06989 -0.79390 -0.49702 3.14068 1.20076 -1.11639 -1.50780 -0.91485 1.06841 3.04053 1.41079 -1.45626 -3.12321 0.32823 -0.41129 3.00485 1.33790 -1.49386 -2.54587 0.87027 -0.79668 2.65475 0.48362 1.01936 -1.13545 -3.09358 -1.26786 0.35234 -0.07356 1.54664 -3.02532 -1.40513 1.56248 -3.10051 -0.41869 -3.12447 1.24124 -1.08843 -1.60426 -0.94742 1.06018 2.99320 1.26760 -1.56260 3.02528 0.07209 -0.35238 3.10061 1.40531 -1.54788 0.41870 1.08850 -1.24140 3.12419 -1.41098 2.54490 -0.32970 -2.65700 3.12282 0.79551 1.45591 -0.87139 -0.48328 3.09337 1.13523 -1.02000 -1.56568 -1.05900 1.07944 3.04637 1.11584 -1.20087 -3.14079 0.91464 -3.04115 -1.06916 1.56542 1.05968 -3.04611 -1.07932 1.60444 0.94749 -2.99285 -1.05993 0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00002 0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 -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 0.00001 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 -0.00001 -0.00000 -0.00000 0.00001 0.00000 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 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00002 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00002 0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00001 0.00002 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 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 0.00002 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 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 -0.00001 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 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 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 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00014 0.00017 -0.00006 -0.00012 -0.00007 0.00004 0.00011 -0.00014 -0.00004 0.00000 0.00013 -0.00026 0.00000 0.00021 -0.00002 -0.00009 -0.00001 0.00001 -0.00002 -0.00014 0.00016 -0.00028 0.00022 -0.00000 -0.00005 -0.00019 0.00000 -0.00020 0.00015 0.00000 -0.00005 0.00006 0.00002 0.00003 0.00000 -0.00014 -0.00002 -0.00000 -0.00002 -0.00006 0.00004 0.00007 -0.00002 -0.00015 -0.00005 0.00011 -0.00002 0.00015 -0.00005 0.00010 -0.00000 0.00002 -0.00000 -0.00008 0.00003 0.00001 -0.00004 -0.00001 0.00007 -0.00005 0.00002 -0.00003 -0.00005 0.00003 0.00016 -0.00009 -0.00003 -0.00009 -0.00035 0.00034 -0.00015 0.00004 0.00000 -0.00016 0.00003 0.00004 0.00009 0.00033 0.00024 0.00008 0.00004 -0.00009 -0.00017 0.00014 -0.00006 -0.00008 -0.00007 -0.00012 -0.00003 0.00016 0.00015 0.00015 -0.00028 -0.00009 -0.00001 0.00001 0.00001 0.00009 -0.00005 -0.00004 -0.00002 0.00011 0.00001 0.00002 0.00006 -0.00012 0.00008 -0.00002 -0.00013 -0.00005 0.00011 0.00002 0.00006 0.00005 -0.00011 -0.00000 0.00019 -0.00024 -0.00004 -0.00011 -0.00009 0.00012 0.00012 0.00001 0.00017 -0.00017 0.00002 0.00001 -0.00009 -0.00002 0.00006 0.00001 -0.00002 0.00019 0.00001 -0.00002 0.00019 0.00002 -0.00001 0.00020 -0.00005 -0.00009 0.00012 0.00006 -0.00005 0.00000 -0.00010 0.00015 0.00004 -0.00002 -0.00013 0.00062 0.00037 -0.00006 -0.00032 -0.00005 -0.00032 0.00013 -0.00014 0.00000 -0.00026 0.00041 0.00048 0.00042 0.00045 0.00003 0.00001 0.00001 0.00007 0.00005 0.00004 0.00002 -0.00000 -0.00001 0.00008 0.00006 0.00005 0.00004 0.00004 0.00003 0.00019 -0.00007 -0.00020 -0.00006 -0.00006 0.00005 -0.00005 0.00001 0.00019 0.00002 -0.00008 -0.00002 0.00016 -0.00017 -0.00027 -0.00021 -0.00003 -0.00001 -0.00014 -0.00008 -0.00007 -0.00015 0.00010 0.00012 0.00037 -0.00007 0.00019 -0.00009 0.00016 -0.00010 0.00027 0.00023 0.00029 0.00004 -0.00033 -0.00033 -0.00027 0.00026 0.00019 0.00010 0.00048 -0.00008 -0.00015 -0.00025 0.00013 0.00011 -0.00012 -0.00009 -0.00006 -0.00002 0.00036 -0.00019 0.00019 0.00011 0.00049 -0.00001 0.00036 -0.00011 -0.00001 0.00006 0.00003 0.00012 -0.00002 -0.00005 0.00000 -0.00011 -0.00002 -0.00002 0.00037 0.00029 0.00025 0.00002 0.00015 0.00010 0.00013 -0.00008 0.00017 0.00010 0.00017 0.00016 -0.00001 0.00006 0.00012 -0.00009 -0.00018 0.00001 0.00000 0.00005 0.00001 0.00002 -0.00016 -0.00000 0.00003 0.00005 -0.00005 -0.00001 -0.00002 -0.00002 0.00008 -0.00005 -0.00003 -0.00004 0.00002 0.00003 -0.00000 0.00002 0.00002 -0.00007 0.00000 0.00006 -0.00004 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00007 0.00005 -0.00006 -0.00004 -0.00012 0.00010 -0.00002 -0.00001 0.00003 0.00001 0.00002 0.00007 -0.00002 0.00000 -0.00000 -0.00002 0.00006 -0.00001 -0.00001 0.00001 -0.00000 -0.00003 0.00001 0.00005 0.00008 0.00002 0.00009 -0.00022 -0.00003 0.00001 0.00007 -0.00004 0.00001 0.00003 0.00004 -0.00003 -0.00002 -0.00006 0.00003 -0.00005 -0.00003 -0.00005 -0.00001 0.00004 -0.00000 0.00000 0.00003 -0.00002 0.00001 0.00002 0.00001 -0.00008 0.00005 -0.00006 -0.00008 0.00004 -0.00011 -0.00003 0.00001 -0.00005 -0.00002 0.00007 0.00006 0.00007 -0.00000 -0.00002 0.00012 -0.00008 -0.00005 0.00002 -0.00001 0.00009 -0.00003 -0.00004 0.00003 -0.00002 0.00001 0.00005 -0.00011 0.00012 -0.00000 0.00004 -0.00000 -0.00001 -0.00003 -0.00002 0.00003 0.00003 -0.00013 0.00001 0.00000 -0.00009 0.00012 -0.00010 -0.00013 0.00005 0.00002 -0.00002 0.00017 -0.00001 -0.00005 0.00014 -0.00010 -0.00014 0.00005 -0.00006 -0.00001 0.00001 0.00007 -0.00007 -0.00001 -0.00000 0.00005 0.00012 0.00017 0.00010 0.00002 0.00015 0.00007 0.00003 -0.00005 0.00002 -0.00006 0.00016 0.00011 0.00012 0.00009 -0.00001 0.00004 -0.00016 0.00006 0.00012 -0.00008 0.00001 0.00006 -0.00014 0.00003 0.00009 -0.00011 -0.00003 -0.00001 -0.00003 0.00008 0.00007 -0.00004 0.00007 0.00007 -0.00001 0.00004 -0.00003 -0.00009 -0.00004 0.00002 -0.00005 -0.00012 -0.00006 -0.00001 -0.00008 -0.00014 0.00004 0.00010 -0.00009 -0.00005 0.00007 0.00004 0.00010 0.00007 0.00002 -0.00001 -0.00001 -0.00004 -0.00006 -0.00012 -0.00011 -0.00023 0.00005 0.00022 0.00012 0.00010 -0.00009 -0.00001 -0.00003 0.00003 -0.00004 0.00004 0.00002 0.00008 0.00006 0.00026 0.00018 0.00019 0.00005 0.00021 0.00010 0.00026 0.00003 0.00019 -0.00002 0.00014 -0.00002 -0.00000 -0.00001 -0.00019 -0.00010 0.00007 -0.00011 -0.00010 0.00004 0.00014 0.00008 -0.00005 -0.00014 -0.00006 0.00003 -0.00003 0.00015 0.00013 -0.00008 -0.00027 -0.00018 -0.00021 0.00002 0.00016 0.00000 -0.00000 -0.00016 -0.00014 0.00012 -0.00014 0.00000 0.00001 0.00014 -0.00042 0.00000 0.00024 0.00002 -0.00014 -0.00002 -0.00001 -0.00004 -0.00006 0.00011 -0.00031 0.00018 0.00002 -0.00002 -0.00019 0.00002 -0.00018 0.00008 0.00001 0.00001 0.00002 0.00001 0.00002 -0.00001 -0.00014 -0.00002 -0.00001 -0.00009 -0.00001 -0.00002 0.00003 -0.00014 -0.00005 -0.00007 0.00010 0.00001 0.00016 -0.00004 0.00017 -0.00003 0.00002 -0.00000 -0.00009 0.00009 -0.00000 -0.00005 0.00000 0.00007 -0.00007 0.00003 0.00002 0.00003 0.00005 0.00026 -0.00031 -0.00006 -0.00008 -0.00028 0.00029 -0.00014 0.00007 0.00004 -0.00019 0.00001 -0.00003 0.00012 0.00029 0.00021 0.00003 0.00003 -0.00005 -0.00018 0.00015 -0.00003 -0.00010 -0.00006 -0.00010 -0.00001 0.00007 0.00020 0.00009 -0.00036 -0.00005 -0.00012 -0.00002 0.00001 0.00005 -0.00007 0.00004 0.00004 0.00018 0.00001 -0.00000 0.00019 -0.00020 0.00003 0.00000 -0.00014 0.00004 0.00008 -0.00001 0.00009 0.00003 -0.00010 0.00005 0.00008 -0.00012 -0.00004 -0.00007 -0.00010 0.00011 0.00010 -0.00000 0.00021 -0.00014 -0.00011 0.00002 -0.00008 -0.00010 0.00019 -0.00009 -0.00016 0.00024 0.00004 -0.00004 0.00036 0.00002 -0.00006 0.00034 -0.00015 -0.00023 0.00017 -0.00000 -0.00006 0.00001 -0.00004 0.00008 0.00003 -0.00002 -0.00008 0.00074 0.00053 0.00004 -0.00030 0.00010 -0.00024 0.00016 -0.00019 0.00002 -0.00032 0.00057 0.00058 0.00054 0.00054 0.00002 0.00006 -0.00015 0.00013 0.00017 -0.00004 0.00002 0.00006 -0.00015 0.00011 0.00015 -0.00006 0.00002 0.00003 0.00001 0.00027 -0.00000 -0.00024 0.00001 0.00001 0.00004 -0.00001 -0.00002 0.00010 -0.00002 -0.00007 -0.00008 0.00004 -0.00023 -0.00028 -0.00029 -0.00017 0.00003 -0.00004 -0.00017 -0.00012 -0.00008 0.00014 0.00021 0.00044 -0.00005 0.00018 -0.00011 0.00012 -0.00016 0.00015 0.00012 0.00006 0.00009 -0.00012 -0.00020 -0.00017 0.00017 0.00018 0.00007 0.00050 -0.00013 -0.00012 -0.00023 0.00021 0.00017 0.00014 0.00010 0.00013 0.00003 0.00057 -0.00009 0.00045 0.00015 0.00068 -0.00003 0.00050 -0.00013 -0.00001 0.00004 -0.00017 0.00003 0.00005 -0.00016 -0.00009 -0.00007 0.00012 0.00006 0.00032 0.00015 0.00018 0.00006 0.00013 0.00024 0.00026 -0.00016 -0.00010 -0.00009 -0.00004 5.24937 4.43462 5.24953 4.07792 4.82082 4.07776 5.01497 4.59820 4.07282 4.04125 4.48017 5.18922 2.55700 4.58318 5.10894 4.54597 4.07536 4.04159 4.54484 5.10856 4.54563 5.18844 4.58366 4.06333 4.05100 4.55185 2.55696 4.59759 4.48058 4.04127 4.07279 4.55198 4.05092 4.06328 2.55032 4.54541 4.04155 4.07534 1.40362 1.34094 1.23729 1.49232 1.40346 1.87536 1.87539 1.49241 1.23734 1.62850 1.90820 1.62858 1.24969 2.58523 1.76055 1.40171 1.62066 1.79960 2.55085 1.91737 1.77557 1.75161 1.77081 1.91610 1.92645 1.67185 1.96715 2.16011 1.93922 1.32839 2.67082 1.70658 1.40898 1.62298 1.78336 2.63286 1.89727 1.74429 1.71468 1.61873 1.61889 1.60114 1.87688 1.22355 2.64571 1.68471 1.43504 1.65981 1.77678 2.58803 1.92842 1.79215 1.68105 1.91598 1.92730 2.15946 1.93916 2.55084 1.79962 1.62093 1.75145 1.77552 1.91733 2.07887 1.22335 1.43453 1.68532 2.64545 2.58754 1.77685 1.66039 1.68105 1.79213 1.92825 1.83257 2.03668 1.32851 1.40892 1.70655 2.67093 2.63284 1.78349 1.62315 1.71464 1.74403 1.89726 2.07860 3.27898 2.64091 2.83326 3.48568 2.72894 2.95199 -1.64693 2.88212 0.44229 -3.08333 1.44571 -0.99411 1.90732 0.15318 -2.28665 0.24786 -1.50628 2.33708 -3.02165 1.65802 -1.65817 3.02150 -0.22415 -1.82766 1.82755 0.22404 0.84159 -0.84386 -1.44528 0.99432 -2.88189 -0.44229 1.50653 -2.33705 -0.15281 2.28679 -2.42485 2.42313 0.95554 -0.95738 -1.54140 0.40592 2.68171 -0.42106 1.52627 -2.48113 2.99049 -1.34537 0.93041 1.26612 -3.06974 -0.79396 -0.49701 3.14071 1.20076 -1.11612 -1.50781 -0.91509 1.06842 3.04054 1.41084 -1.45626 -3.12323 0.32832 -0.41130 3.00478 1.33782 -1.49382 -2.54609 0.86999 -0.79697 2.65458 0.48366 1.01932 -1.13563 -3.09370 -1.26794 0.35248 -0.07334 1.54708 -3.02537 -1.40495 1.56237 -3.10039 -0.41885 -3.12432 1.24136 -1.08838 -1.60416 -0.94754 1.05998 2.99303 1.26777 -1.56242 3.02535 0.07260 -0.35250 3.10049 1.40508 -1.54767 0.41887 1.08864 -1.24130 3.12433 -1.41095 2.54547 -0.32979 -2.65655 3.12296 0.79620 1.45587 -0.87089 -0.48341 3.09336 1.13528 -1.02016 -1.56565 -1.05895 1.07928 3.04627 1.11577 -1.20075 -3.14073 0.91496 -3.04100 -1.06898 1.56548 1.05980 -3.04587 -1.07906 1.60428 0.94739 -2.99294 -1.05997 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000022 0.000005 0.001550 0.000278 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -5.363988e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 1 1 1 1 1 1 2 2 2 2 2 3 3 4 7 7 7 7 7 8 9 12 12 12 12 12 13 14 17 17 17 22 22 22 23 27 27 27 3 8 13 18 23 28 3 4 5 6 29 22 33 22 8 9 10 11 19 27 27 13 14 15 16 24 32 17 19 20 21 24 25 26 34 29 30 31 2.7778 2.3466 2.7779 2.1579 2.5512 2.1579 2.6537 2.4333 2.1552 2.1385 2.3707 2.7462 1.3531 2.4252 2.7035 2.4057 2.1566 2.1387 2.405 2.7034 2.4054 2.7458 2.4255 2.1502 2.1437 2.4088 1.3531 2.433 2.371 2.1385 2.1552 2.4088 2.1436 2.1502 1.3496 2.4054 2.1387 2.1566 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 3 3 3 3 8 8 8 13 13 18 18 23 3 3 3 3 4 4 4 5 5 6 1 1 1 2 2 22 2 8 8 8 8 9 9 9 10 10 11 1 1 7 7 13 13 13 13 14 14 14 15 15 16 1 1 12 12 14 14 14 19 19 20 7 3 3 3 3 4 4 4 24 24 25 1 12 8 8 8 8 9 9 9 29 29 30 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 4 7 7 7 7 7 7 7 7 7 7 8 8 8 9 12 12 12 12 12 12 12 12 12 12 13 13 13 14 17 17 17 17 17 17 19 22 22 22 22 22 22 22 22 22 22 23 24 27 27 27 27 27 27 27 27 27 27 29 8 13 23 28 13 18 28 18 23 23 28 28 4 5 6 29 5 6 29 6 29 29 2 22 33 22 33 33 22 9 10 11 19 10 11 19 11 19 19 7 27 27 27 14 15 16 24 15 16 24 16 24 24 12 32 32 17 19 20 21 20 21 21 17 4 24 25 26 24 25 26 25 26 26 34 22 9 29 30 31 29 30 31 30 31 31 27 80.4267 76.8307 70.8923 85.5019 80.4201 107.4534 107.456 85.5031 70.8937 93.2972 109.3341 93.3008 71.6035 148.1215 100.8722 80.3175 92.8523 103.1098 146.156 109.8569 101.7287 100.3638 101.4581 109.7834 110.3759 95.7873 112.6949 123.7825 111.1121 76.1155 153.0428 97.7633 80.7369 92.9859 102.1768 150.8628 108.7051 99.9417 98.2369 92.7299 92.7432 91.7368 107.5356 70.1072 151.5982 96.5182 82.2234 95.106 101.8055 148.289 110.4911 102.6787 96.3053 109.7719 110.4468 123.7311 111.1127 146.1538 103.1098 92.8697 100.355 101.7277 109.8523 119.1002 70.0919 82.1927 96.551 151.5845 148.2533 101.8059 95.1416 96.3151 102.6769 110.4813 104.9936 116.6914 76.1236 80.7223 97.774 153.0394 150.853 102.1906 93.0054 98.2353 99.9199 108.705 119.0831 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A88 A89 A90 A91 A92 3 8 13 3 8 1 1 1 1 1 18 23 28 18 23 8 3 3 8 3 -1 -1 -1 -2 -2 187.8801 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 151.319 162.3326 199.7197 156.3624 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 8 8 8 13 13 13 23 23 23 28 28 28 3 3 13 13 18 18 28 28 7 27 3 3 8 8 18 18 23 23 3 13 18 28 4 4 4 5 5 5 6 6 6 29 29 29 3 5 6 29 3 4 5 6 1 1 1 1 2 2 2 2 33 33 33 33 2 2 2 2 9 9 10 10 11 11 19 19 8 10 11 19 8 9 10 11 1 1 1 1 7 7 7 7 7 7 7 7 14 14 15 15 16 16 24 24 13 15 16 24 13 14 15 16 12 12 12 14 20 21 3 4 25 26 8 9 30 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 8 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 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 14 14 14 17 17 17 22 22 22 22 27 27 27 3 3 3 3 3 3 3 3 3 3 3 3 8 8 8 8 8 8 8 8 23 23 13 13 13 13 13 13 13 13 23 23 23 23 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 29 29 29 29 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 8 8 8 8 8 8 8 8 9 9 9 9 19 19 19 19 27 27 27 27 27 27 27 27 27 27 27 27 13 13 13 13 13 13 13 13 14 14 14 14 24 24 24 24 17 17 17 19 19 19 24 24 24 24 29 29 29 2 22 33 2 22 33 2 22 33 2 22 33 7 27 7 27 7 27 7 27 34 34 12 32 12 32 12 32 12 32 34 34 34 34 1 22 33 1 22 33 1 22 33 1 22 33 22 22 22 22 27 27 27 27 4 24 25 26 4 24 25 26 4 24 25 26 3 24 25 26 1 27 1 27 1 27 1 27 27 27 27 27 17 17 17 17 9 29 30 31 9 29 30 31 8 29 30 31 1 32 1 32 1 32 1 32 17 17 17 17 22 22 22 22 19 20 21 7 7 7 12 12 12 12 2 2 2 -94.3572 165.1422 25.3277 -176.664 82.8353 -56.9791 109.2804 8.7797 -131.0347 14.2101 -86.2905 133.895 -173.1275 95.0007 -95.0068 173.1214 -12.8472 -104.719 104.7125 12.8408 48.1772 -48.3801 -82.8108 56.9877 -165.1259 -25.3273 86.3089 -133.8925 -8.7569 131.0416 -138.9665 138.8017 54.7177 -54.8852 -88.3169 23.2545 153.6593 -24.1323 87.4391 -142.1562 171.3411 -77.0875 53.3172 72.5366 -175.892 -45.4873 -28.4772 179.9475 68.7983 -63.9646 -86.3909 -52.4169 61.2156 174.2098 80.8325 -83.4373 -178.9466 18.806 -23.5651 172.1651 76.6558 -85.5916 -145.8673 49.8629 -45.6465 152.1061 27.7096 58.4051 -65.0567 -177.2489 -72.6429 20.1876 -4.2146 88.6159 -173.3383 -80.5078 89.5233 -177.6462 -23.989 -179.0189 71.1177 -62.3627 -91.9171 -54.2833 60.7437 171.4975 72.6279 -89.5306 173.336 4.1306 -20.1897 177.6518 80.5183 -88.687 23.9896 62.3664 -71.1267 179.0032 -80.8433 145.8121 -18.8906 -152.2351 178.9242 45.5796 83.4174 -49.9272 -27.6899 177.2371 65.0441 -58.4414 -89.7066 -60.6765 61.8472 174.5439 63.9327 -68.8047 -179.9538 52.405 -174.245 -61.2586 89.6922 60.7151 -174.5293 -61.8404 91.9276 54.2874 -171.4777 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 (5D, 7F) 32 33 34 S 3 1.00 1.3010701000e+01 1.9622572000e+00 4.4453796000e-01 1.9682158000e-02 1.3796524000e-01 4.7831935000e-01 S 1 1.00 1.2194962000e-01 1.0000000000e+00 P 1 1.00 8.0000000000e-01 1.0000000000e+00 3 4 5 6 8 9 10 11 13 14 15 16 18 19 20 21 23 24 25 26 28 29 30 31 S 5 1.00 9.1849303010e+03 1.3815105503e+03 3.1387147580e+02 8.8053870623e+01 2.7039914905e+01 -2.2294387756e-03 -1.6683029937e-02 -7.5262436116e-02 -1.9376827038e-01 -1.7718020803e-01 S 3 1.00 4.5648731303e+01 4.9664522326e+00 2.0116242047e+00 -1.0736062573e-01 6.5066293018e-01 5.9712155354e-01 S 1 1.00 3.5661077013e-01 1.0000000000e+00 S 1 1.00 1.3507221477e-01 1.0000000000e+00 P 5 1.00 2.6198233439e+02 6.1306894736e+01 1.9103729887e+01 6.6567720378e+00 2.3959635161e+00 -9.2729929822e-03 -6.6547669241e-02 -2.4828595903e-01 -4.8703847402e-01 -3.9337850312e-01 P 1 1.00 6.1776161679e-01 1.0000000000e+00 P 1 1.00 1.6993376871e-01 1.0000000000e+00 D 1 1.00 5.5000000000e-01 1.0000000000e+00 1 2 7 12 17 22 27 S 2 1.00 1.4000000000e+01 1.2500000000e+01 -2.2490043406e-01 3.3151248555e-01 S 1 1.00 4.0921501803e+00 1.0000000000e+00 S 1 1.00 9.7053602586e-01 1.0000000000e+00 S 1 1.00 4.4217620170e-01 1.0000000000e+00 S 1 1.00 9.2915024334e-02 1.0000000000e+00 S 1 1.00 3.5016314389e-02 1.0000000000e+00 P 4 1.00 8.8931117915e+00 5.4689112270e+00 1.3548473007e+00 6.5494867461e-01 6.9994449475e-02 -2.3547141883e-01 4.6315460007e-01 4.8820184710e-01 P 1 1.00 3.0428197472e-01 1.0000000000e+00 P 1 1.00 1.0000000000e-01 1.0000000000e+00 P 1 1.00 3.3000000000e-02 1.0000000000e+00 D 3 1.00 5.0044445497e+00 1.7736823324e+00 7.6950591696e-01 -2.1587364862e-02 2.0958680086e-01 4.3730880599e-01 D 1 1.00 3.1530878939e-01 1.0000000000e+00 D 1 1.00 1.1754374390e-01 1.0000000000e+00 F 1 1.00 1.1805100000e+00 1.0000000000e+00 F 1 1.00 3.3348000000e-01 1.0000000000e+00 G 1 1.00 6.4670000000e-01 1.0000000000e+00 1 42 14 F and up 2 2 9.4500000 4.7200000 -24.80517707 -4.15378155 0.00000000 0.00000000 S - F 2 2 2 2 9.7145938 4.6805004 9.4500000 4.7200000 180.10310850 24.99722791 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 P - F 2 2 2 2 8.1421366 4.6259863 9.4500000 4.7200000 123.77275231 19.53022800 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 D - F 2 2 2 2 6.6184148 3.2487516 9.4500000 4.7200000 48.37502229 8.89205274 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 2 42 14 F and up 2 2 9.4500000 4.7200000 -24.80517707 -4.15378155 0.00000000 0.00000000 S - F 2 2 2 2 9.7145938 4.6805004 9.4500000 4.7200000 180.10310850 24.99722791 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 P - F 2 2 2 2 8.1421366 4.6259863 9.4500000 4.7200000 123.77275231 19.53022800 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 D - F 2 2 2 2 6.6184148 3.2487516 9.4500000 4.7200000 48.37502229 8.89205274 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 3 16 No pseudopotential on this center. 4 16 No pseudopotential on this center. 5 16 No pseudopotential on this center. 6 16 No pseudopotential on this center. 7 42 14 F and up 2 2 9.4500000 4.7200000 -24.80517707 -4.15378155 0.00000000 0.00000000 S - F 2 2 2 2 9.7145938 4.6805004 9.4500000 4.7200000 180.10310850 24.99722791 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 P - F 2 2 2 2 8.1421366 4.6259863 9.4500000 4.7200000 123.77275231 19.53022800 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 D - F 2 2 2 2 6.6184148 3.2487516 9.4500000 4.7200000 48.37502229 8.89205274 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 8 16 No pseudopotential on this center. 9 16 No pseudopotential on this center. 10 16 No pseudopotential on this center. 11 16 No pseudopotential on this center. 12 42 14 F and up 2 2 9.4500000 4.7200000 -24.80517707 -4.15378155 0.00000000 0.00000000 S - F 2 2 2 2 9.7145938 4.6805004 9.4500000 4.7200000 180.10310850 24.99722791 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 P - F 2 2 2 2 8.1421366 4.6259863 9.4500000 4.7200000 123.77275231 19.53022800 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 D - F 2 2 2 2 6.6184148 3.2487516 9.4500000 4.7200000 48.37502229 8.89205274 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 13 16 No pseudopotential on this center. 14 16 No pseudopotential on this center. 15 16 No pseudopotential on this center. 16 16 No pseudopotential on this center. 17 42 14 F and up 2 2 9.4500000 4.7200000 -24.80517707 -4.15378155 0.00000000 0.00000000 S - F 2 2 2 2 9.7145938 4.6805004 9.4500000 4.7200000 180.10310850 24.99722791 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 P - F 2 2 2 2 8.1421366 4.6259863 9.4500000 4.7200000 123.77275231 19.53022800 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 D - F 2 2 2 2 6.6184148 3.2487516 9.4500000 4.7200000 48.37502229 8.89205274 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 18 16 No pseudopotential on this center. 19 16 No pseudopotential on this center. 20 16 No pseudopotential on this center. 21 16 No pseudopotential on this center. 22 42 14 F and up 2 2 9.4500000 4.7200000 -24.80517707 -4.15378155 0.00000000 0.00000000 S - F 2 2 2 2 9.7145938 4.6805004 9.4500000 4.7200000 180.10310850 24.99722791 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 P - F 2 2 2 2 8.1421366 4.6259863 9.4500000 4.7200000 123.77275231 19.53022800 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 D - F 2 2 2 2 6.6184148 3.2487516 9.4500000 4.7200000 48.37502229 8.89205274 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 23 16 No pseudopotential on this center. 24 16 No pseudopotential on this center. 25 16 No pseudopotential on this center. 26 16 No pseudopotential on this center. 27 42 14 F and up 2 2 9.4500000 4.7200000 -24.80517707 -4.15378155 0.00000000 0.00000000 S - F 2 2 2 2 9.7145938 4.6805004 9.4500000 4.7200000 180.10310850 24.99722791 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 P - F 2 2 2 2 8.1421366 4.6259863 9.4500000 4.7200000 123.77275231 19.53022800 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 D - F 2 2 2 2 6.6184148 3.2487516 9.4500000 4.7200000 48.37502229 8.89205274 24.80517707 4.15378155 0.00000000 0.00000000 0.00000000 0.00000000 28 16 No pseudopotential on this center. 29 16 No pseudopotential on this center. 30 16 No pseudopotential on this center. 31 16 No pseudopotential on this center. 32 1 No pseudopotential on this center. 33 1 No pseudopotential on this center. 34 1 No pseudopotential on this center. 0.10000e-02 0.10000e-05 F IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 34 34 20 2.89e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1441.140000000001 AuxInfo=1/0/N:1;2;7;12;17;22;27;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;23;24;25;26;28;29;30;31;32;33;34/rA:34nMoMoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:;3.962,0,0;1.759,-1.014,1.326;3.347,-1.933,-1.291;5.261,.791,-1.58;5.261,-.791,1.58;-1.98,3.429,-.002;0,2.027,1.325;0,3.866,-1.294;-3.321,4.161,-1.575;-1.938,4.949,1.577;-1.98,-3.429,.002;-1.759,-1.014,1.326;-3.347,-1.933,-1.291;-1.938,-4.949,-1.577;-3.321,-4.161,1.575;-3.962,0,0;-1.759,1.014,-1.326;-3.347,1.933,1.291;-5.261,-.791,1.58;-5.261,.791,-1.58;1.98,-3.429,.002;0,-2.027,-1.325;0,-3.866,1.294;3.321,-4.161,1.575;1.938,-4.949,-1.577;1.98,3.429,-.002;1.759,1.014,-1.326;3.347,1.933,1.291;1.938,4.949,1.577;3.321,4.161,-1.575;-1.647,-.948,2.63;1.647,-.948,2.63;0,-1.897,-2.629; 0.000000 3.962000 0.000000 2.424985 2.763997 0.000000 4.074994 2.404453 3.196090 0.000000 5.549793 2.193053 4.895596 3.341720 0.000000 5.549793 2.193053 3.518274 3.634584 3.533882 0.000000 3.959602 6.860423 5.956841 7.667431 7.866461 8.528963 0.000000 2.421643 4.643468 3.513085 5.807535 6.135539 5.973631 2.765309 0.000000 4.076811 5.684878 5.811444 6.695582 6.100454 7.591156 2.404295 3.200169 0.000000 5.551899 8.534438 7.810431 9.037683 9.219959 10.398416 2.192814 4.898265 3.345897 0.000000 5.543949 7.860632 7.020554 9.138850 8.892762 9.207237 2.192123 3.515314 3.629239 3.531110 0.000000 3.959602 6.860423 4.643848 5.682147 8.528963 7.866461 6.858001 5.953038 7.669227 7.867230 8.524862 0.000000 2.424985 5.959556 3.518000 5.810722 7.809178 7.028132 4.642486 3.513085 5.811444 6.134841 5.970964 2.762977 0.000000 4.074994 7.669723 5.810722 6.694000 9.033347 9.145735 5.681659 5.807535 6.695582 6.100669 7.587663 2.403862 3.196090 0.000000 5.543949 7.860632 6.130207 6.091738 9.207237 8.892762 8.524862 7.800130 9.029959 9.214380 10.388365 2.192123 4.893227 3.341157 0.000000 5.551899 8.534438 5.980971 7.592112 10.398416 9.219959 7.867230 7.027296 9.148384 8.898212 9.214380 2.192814 3.522138 3.630236 3.531110 0.000000 3.962000 7.924000 5.959556 7.669723 9.390730 9.390730 3.960602 4.643468 5.684878 4.495045 5.574595 3.960602 2.763997 2.404453 5.574595 4.495045 0.000000 2.424985 5.959556 4.849970 5.895530 7.028132 7.809178 2.762977 3.338870 3.350971 3.522138 4.893227 4.642486 3.338546 3.347802 5.970964 6.134841 2.763997 0.000000 4.074994 7.669723 5.895530 8.149989 9.145735 9.033347 2.403862 3.348492 4.649852 3.630236 3.341157 5.681659 3.347802 4.648944 7.587663 6.100669 2.404453 3.196090 0.000000 5.549793 9.390730 7.028132 9.145735 11.099586 10.522000 5.574593 5.973631 7.591156 6.183844 6.632491 4.496008 3.518274 3.634584 6.188533 3.888512 2.193053 4.895596 3.341720 0.000000 5.549793 9.390730 7.809178 9.033347 10.522000 11.099586 4.496008 6.135539 6.100454 3.888512 6.188533 5.574593 4.895596 3.341720 6.632491 6.183844 2.193053 3.518274 3.634584 3.533882 0.000000 3.959602 3.960602 2.762977 2.403862 5.574593 4.496008 7.919203 5.953038 7.669227 9.391253 9.382016 3.960000 4.643848 5.682147 4.489361 5.577701 6.860423 5.956841 7.667431 7.866461 8.528963 0.000000 2.421643 4.643468 3.338870 3.348492 5.973631 6.135539 5.953038 4.843286 5.893082 7.027296 7.800130 2.765309 3.338870 3.348492 3.515314 4.898265 4.643468 3.513085 5.807535 6.135539 5.973631 2.765309 0.000000 4.076811 5.684878 3.350971 4.649852 7.591156 6.100454 7.669227 5.893082 8.153623 9.148384 9.029959 2.404295 3.350971 4.649852 3.629239 3.345897 5.684878 5.811444 6.695582 6.100454 7.591156 2.404295 3.200169 0.000000 5.551899 4.495045 3.522138 3.630236 6.183844 3.888512 9.391253 7.027296 9.148384 11.103799 10.518992 5.577701 5.980971 7.592112 6.181677 6.642000 8.534438 7.810431 9.037683 9.219959 10.398416 2.192814 4.898265 3.345897 0.000000 5.543949 5.574595 4.893227 3.341157 6.632491 6.188533 9.382016 7.800130 9.029959 10.518992 11.087899 4.489361 6.130207 6.091738 3.876000 6.181677 7.860632 7.020554 9.138850 8.892762 9.207237 2.192123 3.515314 3.629239 3.531110 0.000000 3.959602 3.960602 4.642486 5.681659 4.496008 5.574593 3.960000 2.765309 2.404295 5.577701 4.489361 7.919203 5.956841 7.667431 9.382016 9.391253 6.860423 4.643848 5.682147 8.528963 7.866461 6.858001 5.953038 7.669227 7.867230 8.524862 0.000000 2.424985 2.763997 3.338546 3.347802 3.518274 4.895596 4.643848 3.338870 3.350971 5.980971 6.130207 5.956841 4.849970 5.895530 7.020554 7.810431 5.959556 3.518000 5.810722 7.809178 7.028132 4.642486 3.513085 5.811444 6.134841 5.970964 2.762977 0.000000 4.074994 2.404453 3.347802 4.648944 3.634584 3.341720 5.682147 3.348492 4.649852 7.592112 6.091738 7.667431 5.895530 8.149989 9.138850 9.037683 7.669723 5.810722 6.694000 9.033347 9.145735 5.681659 5.807535 6.695582 6.100669 7.587663 2.403862 3.196090 0.000000 5.543949 5.574595 5.970964 7.587663 6.188533 6.632491 4.489361 3.515314 3.629239 6.181677 3.876000 9.382016 7.020554 9.138850 11.087899 10.518992 7.860632 6.130207 6.091738 9.207237 8.892762 8.524862 7.800130 9.029959 9.214380 10.388365 2.192123 4.893227 3.341157 0.000000 5.551899 4.495045 6.134841 6.100669 3.888512 6.183844 5.577701 4.898265 3.345897 6.642000 6.181677 9.391253 7.810431 9.037683 10.518992 11.103799 8.534438 5.980971 7.592112 10.398416 9.219959 7.867230 7.027296 9.148384 8.898212 9.214380 2.192814 3.522138 3.630236 3.531110 0.000000 3.244721 6.267095 3.647685 6.425302 8.274581 6.989107 5.118246 3.642288 6.425339 6.825407 5.997341 3.629412 1.310464 4.385712 5.813048 3.773416 3.629715 4.417230 3.603204 3.766715 5.814569 5.120242 4.418017 3.607247 6.009777 6.823421 6.264238 5.576757 5.918878 6.981092 8.274354 0.000000 3.244721 3.629715 1.310464 4.385712 5.814569 3.766715 6.264238 3.642288 6.425339 8.274354 6.981092 5.120242 3.647685 6.425302 6.823421 6.009777 6.267095 5.576757 5.918878 6.989107 8.274581 3.629412 4.418017 3.607247 3.773416 5.813048 5.118246 4.417230 3.603204 5.997341 6.825407 3.294000 0.000000 3.241952 5.119345 4.417669 3.604712 6.000322 6.827667 6.260016 5.570628 5.915606 6.988514 8.265228 3.631747 4.417669 3.604712 3.765269 5.816215 5.119345 3.642226 6.421659 6.827667 6.000322 3.631747 1.310464 4.389407 5.816215 3.765269 6.260016 3.642226 6.421659 8.265228 6.988514 5.591985 5.591985 0.000000 H3Mo7S24(3-) CS 2 CS 2 CS 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1441.140000000001 AuxInfo=1/0/N:1;2;7;12;17;22;27;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;23;24;25;26;28;29;30;31;32;33;34/rA:34nMoMoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0016,.0066,0;.0016,.0066,3.962;-.8795,-1.4112,1.759;1.8933,-1.3442,3.347;1.1993,1.3057,5.261;-1.196,-1.2925,5.261;-1.2104,3.2142,-1.98;-1.9551,1.4333,0;-.1567,4.0803,0;.0016,4.4557,-3.321;-3.2252,4.0768,-1.938;1.2136,-3.2011,-1.98;-.8795,-1.4112,-1.759;1.8933,-1.3442,-3.347;3.2285,-4.0637,-1.938;.0016,-4.4425,-3.321;.0016,.0066,-3.962;.8828,1.4243,-1.759;-1.89,1.3574,-3.347;-1.196,-1.2925,-5.261;1.1993,1.3057,-5.261;1.2136,-3.2011,1.98;1.9584,-1.4201,0;.16,-4.0672,0;.0016,-4.4425,3.321;3.2285,-4.0637,1.938;-1.2104,3.2142,1.98;.8828,1.4243,1.759;-1.89,1.3574,3.347;-3.2252,4.0768,1.938;.0016,4.4557,3.321;-2.1225,-1.8111,-1.647;-2.1225,-1.8111,1.647;3.1319,-.8369,0; 0.0374430 0.0374183 0.0212900 -88.27970 -88.27709 -88.27707 -88.24094 -88.24093 -88.23615 -88.23613 -88.23550 -88.23550 -88.23529 -88.23293 -88.23234 -88.23234 -88.23210 -88.23210 -88.23061 -88.23060 -88.23049 -88.23048 -88.23038 -88.22836 -88.22835 -88.22818 -88.22816 -7.67525 -7.67251 -7.67250 -7.63322 -7.63322 -7.63165 -7.63165 -7.63106 -7.63105 -7.62875 -7.62786 -7.62785 -7.62778 -7.62778 -7.62777 -7.62614 -7.62614 -7.62608 -7.62607 -7.62585 -7.62389 -7.62388 -7.62371 -7.62370 -5.58830 -5.58567 -5.58567 -5.58244 -5.58224 -5.57986 -5.57985 -5.57925 -5.57925 -5.54329 -5.54329 -5.54256 -5.54256 -5.54184 -5.54183 -5.54151 -5.54151 -5.54119 -5.54119 -5.54098 -5.54097 -5.54059 -5.54059 -5.53971 -5.53970 -5.53965 -5.53904 -5.53904 -5.53866 -5.53865 -5.53798 -5.53782 -5.53782 -5.53753 -5.53738 -5.53732 -5.53732 -5.53701 -5.53701 -5.53681 -5.53681 -5.53638 -5.53637 -5.53618 -5.53618 -5.53587 -5.53569 -5.53569 -5.53568 -5.53568 -5.53541 -5.53540 -5.53525 -5.53516 -5.53515 -5.53409 -5.53408 -5.53384 -5.53383 -5.53379 -5.53379 -5.53352 -5.53352 -5.53346 -5.53346 -5.53327 -5.53327 -5.53327 -5.53158 -5.53157 -5.53147 -5.53147 -2.32869 -2.31845 -2.31844 -2.31397 -2.31397 -2.31077 -2.31075 -1.34836 -1.34743 -1.34722 -1.33946 -1.33941 -1.33865 -1.33852 -1.33654 -1.33618 -1.33498 -1.33498 -1.33348 -1.33348 -1.33213 -1.33213 -1.33141 -1.33136 -1.33004 -1.32993 -1.32939 -1.32901 -0.47969 -0.46517 -0.46461 -0.41492 -0.40473 -0.40028 -0.39125 -0.39066 -0.38130 -0.38099 -0.38076 -0.37922 -0.37727 -0.37713 -0.37667 -0.37567 -0.37437 -0.37427 -0.37339 -0.37254 -0.37077 -0.37029 -0.36785 -0.36697 -0.20961 -0.19181 -0.17866 -0.11018 -0.10817 -0.10606 -0.10483 -0.10349 -0.09856 -0.09106 -0.09048 -0.08976 -0.08623 -0.08028 -0.07298 -0.06882 -0.06868 -0.06807 -0.06497 -0.06480 -0.06373 -0.06198 -0.05834 -0.05697 -0.05337 -0.05332 -0.05096 -0.04755 -0.04523 -0.04389 -0.04216 -0.04004 -0.03938 -0.03579 -0.03463 -0.03357 -0.03323 -0.03093 -0.02978 -0.02689 -0.02506 -0.02286 -0.02276 -0.01519 -0.01443 -0.01278 -0.00844 -0.00783 -0.00433 0.00455 0.00464 0.00663 0.00978 0.01204 0.01380 0.01491 0.01894 0.01985 0.02278 0.02352 0.02758 0.02796 0.03108 0.03370 0.03625 0.03744 0.03880 0.04205 0.04466 0.04564 0.05152 0.05455 0.06715 0.07602 0.07697 0.10354 0.10802 0.10945 0.11226 0.11232 0.11371 0.11490 0.11529 0.11763 0.12088 0.12095 0.12551 0.12582 0.13036 0.13306 0.13347 0.13495 0.14194 0.17797 0.17924 0.18477 0.18600 0.19134 0.19408 0.19696 0.20129 0.20239 0.20419 0.20667 0.21707 0.21941 0.23290 0.25271 0.26116 0.26828 0.27051 0.27298 0.27613 0.29046 0.29064 0.29897 0.30101 0.31424 0.31611 0.32413 0.32531 0.33347 0.33839 0.33848 0.34314 0.34635 0.34679 0.34747 0.35162 0.35207 0.35330 0.35952 0.36205 0.36297 0.36866 0.37208 0.40412 0.41136 0.41185 0.41681 0.41967 0.42593 0.43180 0.43364 0.44517 0.44564 0.45465 0.45714 0.46003 0.46174 0.46832 0.47203 0.47516 0.47827 0.47835 0.48264 0.48681 0.48823 0.48903 0.49311 0.49863 0.50101 0.50131 0.50342 0.50605 0.51150 0.51240 0.51539 0.52609 0.53279 0.53385 0.54387 0.54584 0.54601 0.54924 0.56536 0.56737 0.57466 0.58292 0.58413 0.58438 0.59090 0.59159 0.60308 0.60586 0.60909 0.61011 0.61409 0.61599 0.61891 0.61906 0.63736 0.63753 0.65214 0.65580 0.66000 0.66405 0.66707 0.66869 0.66993 0.67799 0.69543 0.70673 0.71742 0.72301 0.72360 0.72969 0.73051 0.73657 0.73880 0.74235 0.74690 0.74794 0.75672 0.75903 0.75924 0.76102 0.76158 0.76378 0.76618 0.76656 0.76760 0.77160 0.77778 0.77852 0.78107 0.78463 0.78691 0.78731 0.79211 0.79752 0.79792 0.79999 0.80490 0.80916 0.81140 0.81193 0.81510 0.82348 0.82638 0.82667 0.82814 0.83128 0.83284 0.83506 0.83903 0.83977 0.84259 0.84317 0.84502 0.84665 0.84677 0.85015 0.85058 0.85122 0.85438 0.85501 0.85647 0.85951 0.86062 0.86335 0.86439 0.87433 0.87695 0.88724 0.88910 0.89086 0.89456 0.89627 0.89806 0.89815 0.89992 0.90092 0.90298 0.90309 0.90781 0.90784 0.90864 0.91283 0.91368 0.91536 0.92037 0.92098 0.92358 0.93558 0.93783 0.94491 0.94512 0.94803 0.95740 0.97056 0.97409 0.97749 0.97995 0.98107 0.98825 0.98915 1.00178 1.00419 1.00702 1.00871 1.00945 1.01234 1.01587 1.01886 1.02268 1.02423 1.02601 1.02808 1.02869 1.04244 1.04863 1.04927 1.05551 1.05598 1.05920 1.06438 1.06461 1.06958 1.07137 1.07196 1.07835 1.08406 1.08594 1.08779 1.09043 1.09068 1.09259 1.09392 1.09595 1.09967 1.10166 1.10907 1.10917 1.11033 1.11645 1.11784 1.11801 1.12069 1.12727 1.12844 1.13672 1.13940 1.14026 1.14295 1.14420 1.15495 1.15700 1.16004 1.16312 1.16441 1.16639 1.16912 1.17038 1.18070 1.18766 1.19232 1.19610 1.19726 1.20466 1.20752 1.21457 1.21698 1.21947 1.22429 1.23239 1.24091 1.24248 1.25256 1.25264 1.25533 1.26747 1.27190 1.27448 1.27667 1.28061 1.28217 1.28741 1.29092 1.30004 1.30551 1.30980 1.31140 1.31495 1.32258 1.32378 1.33106 1.33353 1.33504 1.33589 1.33605 1.33856 1.33858 1.33952 1.34807 1.34914 1.35031 1.35771 1.35790 1.36547 1.36747 1.37064 1.37144 1.37234 1.37614 1.37838 1.38341 1.38646 1.38731 1.39015 1.39418 1.39786 1.40585 1.40850 1.40894 1.41096 1.41138 1.41637 1.42234 1.42863 1.43125 1.43151 1.43564 1.44935 1.46433 1.46484 1.46509 1.47046 1.47193 1.47623 1.47796 1.47872 1.48517 1.48724 1.49028 1.49616 1.50085 1.50294 1.51343 1.51579 1.51705 1.52881 1.54341 1.54635 1.54839 1.55038 1.55234 1.55345 1.55648 1.56797 1.56980 1.57501 1.57582 1.57800 1.60257 1.60685 1.61925 1.62435 1.63091 1.63291 1.63622 1.63653 1.64210 1.64311 1.64363 1.65085 1.66283 1.66450 1.66565 1.68393 1.68575 1.68767 1.69709 1.70394 1.70446 1.71207 1.71386 1.71909 1.73069 1.73578 1.74013 1.74628 1.75672 1.75799 1.76129 1.78341 1.78779 1.79983 1.81520 1.82296 1.83315 1.84538 1.84730 1.85115 1.85866 1.87713 1.88430 1.88546 1.89598 1.89744 1.89955 1.90410 1.91028 1.92917 1.92973 1.94431 1.97739 1.97812 1.98381 1.98403 2.01910 2.01962 2.03712 2.03764 2.08614 2.08786 2.09617 2.10743 2.10899 2.11516 2.11655 2.13154 2.13215 2.13772 2.13919 2.16317 2.16321 2.17128 2.19196 2.19306 2.20639 2.26821 2.36599 2.39465 2.39675 2.40184 2.41051 2.42925 2.55942 2.56506 2.56762 2.69952 2.70175 2.70354 2.70391 2.70497 2.70652 2.70785 2.71161 2.71237 2.71313 2.71796 2.71814 2.72082 2.72170 2.72320 2.72415 2.72803 2.73201 2.73352 2.73528 2.73707 2.73878 2.73960 2.74444 2.74532 2.74560 2.74708 2.75258 2.75317 2.75360 2.77282 2.77283 2.77472 2.77792 2.78202 2.78375 2.78394 2.78975 2.79401 2.79462 2.79621 2.80130 2.80141 2.80524 2.80623 2.81126 2.82010 2.82024 2.82330 2.82438 2.82734 2.82890 2.83664 2.83679 2.84171 2.84396 2.84713 2.84930 2.85910 2.86022 2.86126 2.86430 2.86490 2.86490 2.88259 2.88591 2.88668 2.88704 2.88869 2.89003 2.89191 2.89372 2.90362 2.91183 2.91418 2.92325 2.92354 2.93699 2.94928 2.95267 2.95390 2.96508 2.98295 2.98324 2.99526 3.00364 3.00556 3.00577 3.02135 3.02164 3.07804 3.10496 3.10628 3.11232 3.11247 3.11599 3.11634 3.11796 3.12822 3.13417 3.13978 3.13979 3.14884 3.15015 3.17075 3.17422 3.28665 3.28977 3.29196 3.29285 3.29640 3.29673 24.95610 24.97200 24.97246 25.02039 25.02245 25.04165 25.11760 85.13560 85.14185 85.14228 85.15864 85.15958 85.16018 85.18877 -88.27970 -88.27709 -88.27707 -88.24094 -88.24093 -88.23615 -88.23613 -88.23550 -88.23550 -88.23529 -88.23293 -88.23234 -88.23234 -88.23210 -88.23210 -88.23061 -88.23060 -88.23049 -88.23048 -88.23038 -88.22836 -88.22835 -88.22818 -88.22816 -7.67525 -7.67251 -7.67250 -7.63322 -7.63322 -7.63165 -7.63165 -7.63106 -7.63105 -7.62875 -7.62786 -7.62785 -7.62778 -7.62778 -7.62777 -7.62614 -7.62614 -7.62608 -7.62607 -7.62585 -7.62389 -7.62388 -7.62371 -7.62370 -5.58830 -5.58567 -5.58567 -5.58244 -5.58224 -5.57986 -5.57985 -5.57925 -5.57925 -5.54329 -5.54329 -5.54256 -5.54256 -5.54184 -5.54183 -5.54151 -5.54151 -5.54119 -5.54119 -5.54098 -5.54097 -5.54059 -5.54059 -5.53971 -5.53970 -5.53965 -5.53904 -5.53904 -5.53866 -5.53865 -5.53798 -5.53782 -5.53782 -5.53753 -5.53738 -5.53732 -5.53732 -5.53701 -5.53701 -5.53681 -5.53681 -5.53638 -5.53637 -5.53618 -5.53618 -5.53587 -5.53569 -5.53569 -5.53568 -5.53568 -5.53541 -5.53540 -5.53525 -5.53516 -5.53515 -5.53409 -5.53408 -5.53384 -5.53383 -5.53379 -5.53379 -5.53352 -5.53352 -5.53346 -5.53346 -5.53327 -5.53327 -5.53327 -5.53158 -5.53157 -5.53147 -5.53147 -2.32869 -2.31845 -2.31844 -2.31397 -2.31397 -2.31077 -2.31075 -1.34836 -1.34743 -1.34722 -1.33946 -1.33941 -1.33865 -1.33852 -1.33654 -1.33618 -1.33498 -1.33498 -1.33348 -1.33348 -1.33213 -1.33213 -1.33141 -1.33136 -1.33004 -1.32993 -1.32939 -1.32901 -0.47969 -0.46517 -0.46461 -0.41492 -0.40473 -0.40028 -0.39125 -0.39066 -0.38130 -0.38099 -0.38076 -0.37922 -0.37727 -0.37713 -0.37667 -0.37567 -0.37437 -0.37427 -0.37339 -0.37254 -0.37077 -0.37029 -0.36785 -0.36697 -0.20961 -0.19181 -0.17866 -0.11018 -0.10817 -0.10606 -0.10483 -0.10349 -0.09856 -0.09106 -0.09048 -0.08976 -0.08623 -0.08028 -0.07298 -0.06882 -0.06868 -0.06807 -0.06497 -0.06480 -0.06373 -0.06198 -0.05834 -0.05697 -0.05337 -0.05332 -0.05096 -0.04755 -0.04523 -0.04389 -0.04216 -0.04004 -0.03938 -0.03579 -0.03463 -0.03357 -0.03323 -0.03093 -0.02978 -0.02689 -0.02506 -0.02286 -0.02276 -0.01519 -0.01443 -0.01278 -0.00844 -0.00783 -0.00433 0.00455 0.00464 0.00663 0.00978 0.01204 0.01380 0.01491 0.01894 0.01985 0.02278 0.02352 0.02758 0.02796 0.03108 0.03370 0.03625 0.03744 0.03880 0.04205 0.04466 0.04564 0.05152 0.05455 0.06715 0.07602 0.07697 0.10354 0.10802 0.10945 0.11226 0.11232 0.11371 0.11490 0.11529 0.11763 0.12088 0.12095 0.12551 0.12582 0.13036 0.13306 0.13347 0.13495 0.14194 0.17797 0.17924 0.18477 0.18600 0.19134 0.19408 0.19696 0.20129 0.20239 0.20419 0.20667 0.21707 0.21941 0.23290 0.25271 0.26116 0.26828 0.27051 0.27298 0.27613 0.29046 0.29064 0.29897 0.30101 0.31424 0.31611 0.32413 0.32531 0.33347 0.33839 0.33848 0.34314 0.34635 0.34679 0.34747 0.35162 0.35207 0.35330 0.35952 0.36205 0.36297 0.36866 0.37208 0.40412 0.41136 0.41185 0.41681 0.41967 0.42593 0.43180 0.43364 0.44517 0.44564 0.45465 0.45714 0.46003 0.46174 0.46832 0.47203 0.47516 0.47827 0.47835 0.48264 0.48681 0.48823 0.48903 0.49311 0.49863 0.50101 0.50131 0.50342 0.50605 0.51150 0.51240 0.51539 0.52609 0.53279 0.53385 0.54387 0.54584 0.54601 0.54924 0.56536 0.56737 0.57466 0.58292 0.58413 0.58438 0.59090 0.59159 0.60308 0.60586 0.60909 0.61011 0.61409 0.61599 0.61891 0.61906 0.63736 0.63753 0.65214 0.65580 0.66000 0.66405 0.66707 0.66869 0.66993 0.67799 0.69543 0.70673 0.71742 0.72301 0.72360 0.72969 0.73051 0.73657 0.73880 0.74235 0.74690 0.74794 0.75672 0.75903 0.75924 0.76102 0.76158 0.76378 0.76618 0.76656 0.76760 0.77160 0.77778 0.77852 0.78107 0.78463 0.78691 0.78731 0.79211 0.79752 0.79792 0.79999 0.80490 0.80916 0.81140 0.81193 0.81510 0.82348 0.82638 0.82667 0.82814 0.83128 0.83284 0.83506 0.83903 0.83977 0.84259 0.84317 0.84502 0.84665 0.84677 0.85015 0.85058 0.85122 0.85438 0.85501 0.85647 0.85951 0.86062 0.86335 0.86439 0.87433 0.87695 0.88724 0.88910 0.89086 0.89456 0.89627 0.89806 0.89815 0.89992 0.90092 0.90298 0.90309 0.90781 0.90784 0.90864 0.91283 0.91368 0.91536 0.92037 0.92098 0.92358 0.93558 0.93783 0.94491 0.94512 0.94803 0.95740 0.97056 0.97409 0.97749 0.97995 0.98107 0.98825 0.98915 1.00178 1.00419 1.00702 1.00871 1.00945 1.01234 1.01587 1.01886 1.02268 1.02423 1.02601 1.02808 1.02869 1.04244 1.04863 1.04927 1.05551 1.05598 1.05920 1.06438 1.06461 1.06958 1.07137 1.07196 1.07835 1.08406 1.08594 1.08779 1.09043 1.09068 1.09259 1.09392 1.09595 1.09967 1.10166 1.10907 1.10917 1.11033 1.11645 1.11784 1.11801 1.12069 1.12727 1.12844 1.13672 1.13940 1.14026 1.14295 1.14420 1.15495 1.15700 1.16004 1.16312 1.16441 1.16639 1.16912 1.17038 1.18070 1.18766 1.19232 1.19610 1.19726 1.20466 1.20752 1.21457 1.21698 1.21947 1.22429 1.23239 1.24091 1.24248 1.25256 1.25264 1.25533 1.26747 1.27190 1.27448 1.27667 1.28061 1.28217 1.28741 1.29092 1.30004 1.30551 1.30980 1.31140 1.31495 1.32258 1.32378 1.33106 1.33353 1.33504 1.33589 1.33605 1.33856 1.33858 1.33952 1.34807 1.34914 1.35031 1.35771 1.35790 1.36547 1.36747 1.37064 1.37144 1.37234 1.37614 1.37838 1.38341 1.38646 1.38731 1.39015 1.39418 1.39786 1.40585 1.40850 1.40894 1.41096 1.41138 1.41637 1.42234 1.42863 1.43125 1.43151 1.43564 1.44935 1.46433 1.46484 1.46509 1.47046 1.47193 1.47623 1.47796 1.47872 1.48517 1.48724 1.49028 1.49616 1.50085 1.50294 1.51343 1.51579 1.51705 1.52881 1.54341 1.54635 1.54839 1.55038 1.55234 1.55345 1.55648 1.56797 1.56980 1.57501 1.57582 1.57800 1.60257 1.60685 1.61925 1.62435 1.63091 1.63291 1.63622 1.63653 1.64210 1.64311 1.64363 1.65085 1.66283 1.66450 1.66565 1.68393 1.68575 1.68767 1.69709 1.70394 1.70446 1.71207 1.71386 1.71909 1.73069 1.73578 1.74013 1.74628 1.75672 1.75799 1.76129 1.78341 1.78779 1.79983 1.81520 1.82296 1.83315 1.84538 1.84730 1.85115 1.85866 1.87713 1.88430 1.88546 1.89598 1.89744 1.89955 1.90410 1.91028 1.92917 1.92973 1.94431 1.97739 1.97812 1.98381 1.98403 2.01910 2.01962 2.03712 2.03764 2.08614 2.08786 2.09617 2.10743 2.10899 2.11516 2.11655 2.13154 2.13215 2.13772 2.13919 2.16317 2.16321 2.17128 2.19196 2.19306 2.20639 2.26821 2.36599 2.39465 2.39675 2.40184 2.41051 2.42925 2.55942 2.56506 2.56762 2.69952 2.70175 2.70354 2.70391 2.70497 2.70652 2.70785 2.71161 2.71237 2.71313 2.71796 2.71814 2.72082 2.72170 2.72320 2.72415 2.72803 2.73201 2.73352 2.73528 2.73707 2.73878 2.73960 2.74444 2.74532 2.74560 2.74708 2.75258 2.75317 2.75360 2.77282 2.77283 2.77472 2.77792 2.78202 2.78375 2.78394 2.78975 2.79401 2.79462 2.79621 2.80130 2.80141 2.80524 2.80623 2.81126 2.82010 2.82024 2.82330 2.82438 2.82734 2.82890 2.83664 2.83679 2.84171 2.84396 2.84713 2.84930 2.85910 2.86022 2.86126 2.86430 2.86490 2.86490 2.88259 2.88591 2.88668 2.88704 2.88869 2.89003 2.89191 2.89372 2.90362 2.91183 2.91418 2.92325 2.92354 2.93699 2.94928 2.95267 2.95390 2.96508 2.98295 2.98324 2.99526 3.00364 3.00556 3.00577 3.02135 3.02164 3.07804 3.10496 3.10628 3.11232 3.11247 3.11599 3.11634 3.11796 3.12822 3.13417 3.13978 3.13979 3.14884 3.15015 3.17075 3.17422 3.28665 3.28977 3.29196 3.29285 3.29640 3.29673 24.95610 24.97200 24.97246 25.02039 25.02245 25.04165 25.11760 85.13560 85.14185 85.14228 85.15864 85.15958 85.16018 85.18877 1-A'. -0.3738 -2.4180 -0.0000 2.4467 -545.1308 -674.7381 -697.7971 57.3064 0.0000 0.0000 94.0912 -35.5161 -58.5751 57.3064 0.0000 0.0000 15.9483 6.3578 0.0000 -11.6940 -23.5549 -0.0000 -2.4911 1.9512 0.0000 0.0000 -7911.6461 -26566.2080 -30196.6406 4129.6622 -0.0000 4422.7681 -0.0000 -0.0000 -0.0000 -5883.8134 -6040.7353 -9660.8247 -0.0000 0.0000 1268.9116 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1441.140000000001 AuxInfo=1/0/N:1;2;7;12;17;22;27;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;23;24;25;26;28;29;30;31;32;33;34/rA:34nMoMoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:0,.4536,-.6406;4.088,-.0597,.2034;1.7261,-.9483,1.0243;3.4787,-1.9862,-1.1526;5.267,.814,-1.3752;5.3744,-.9006,1.6905;-1.9403,3.4527,.1722;.0001,1.8869,1.2174;.0005,3.9797,-1.148;-3.3033,4.0376,-1.3933;-1.9046,4.9888,1.6599;-2.0501,-3.5073,.0839;-1.726,-.9481,1.0246;-3.4789,-1.9865,-1.1524;-1.9328,-4.9757,-1.4824;-3.3634,-4.1745,1.6413;-4.0883,-.0598,.2025;-1.7605,.9031,-1.8048;-3.3139,1.8665,1.3476;-5.3743,-.9003,1.6902;-5.2678,.8134,-1.3759;2.0508,-3.5078,.0832;-.0002,-2.006,-1.3181;.0006,-3.863,1.2967;3.3648,-4.1757,1.6397;1.9325,-4.976,-1.4831;1.9405,3.4527,.1729;1.7605,.903,-1.8049;3.3136,1.8661,1.3488;1.9048,4.9888,1.6606;3.3047,4.0369,-1.3918;-1.4784,-.6498,2.3209;1.4773,-.6491,2.3202;-.0021,-1.9964,-2.6677; 0.000000 4.205651 0.000000 2.777837 2.653741 0.000000 4.279720 2.433338 2.981215 0.000000 5.330108 2.155241 4.626118 3.329886 0.000000 6.012626 2.138529 3.708976 3.585394 3.514186 0.000000 3.663325 6.976969 5.791097 7.791138 7.829514 8.646409 0.000000 2.346613 4.639925 3.324875 5.720022 5.967654 6.072666 2.703525 0.000000 3.562412 5.903433 5.655218 6.905754 6.148870 7.794388 2.405701 3.158329 0.000000 4.931904 8.600524 7.483228 9.074131 9.156494 10.449784 2.156595 4.727977 3.313427 0.000000 5.430277 7.969945 6.988200 9.248799 8.835818 9.363181 2.138722 3.666780 3.540062 3.490469 0.000000 4.518469 7.041063 4.657452 5.866070 8.622162 8.031130 6.961394 5.880900 7.859869 7.789626 8.642235 0.000000 2.777928 5.938606 3.452117 5.736499 7.600387 7.131772 4.487672 3.324720 5.655453 5.761171 5.973454 2.745768 0.000000 4.280031 7.925185 5.736476 6.957602 9.185949 9.361721 5.805737 5.720335 6.906623 6.031464 7.683899 2.425469 2.981614 0.000000 5.824267 7.953605 5.990890 6.191236 9.239554 8.948162 8.589284 7.623674 9.167836 9.117364 10.448272 2.150208 4.748611 3.381508 0.000000 6.159490 8.632696 6.057390 7.707792 10.414794 9.331175 7.896674 6.945007 9.251339 8.755072 9.278709 2.143705 3.670297 3.550478 3.527894 0.000000 4.205823 8.176339 5.939010 7.925129 9.527525 9.615824 4.117314 4.640506 5.904210 4.466697 5.690396 4.006726 2.654278 2.433034 5.625980 4.418895 0.000000 2.157946 6.258158 4.856682 6.018533 7.041097 8.147183 3.231251 3.633307 3.605201 3.517733 5.358857 4.806586 3.381361 3.424695 5.890246 6.342543 3.221097 0.000000 4.114827 7.733619 5.781855 8.199692 9.063845 9.124807 2.405044 3.316627 4.656066 3.496580 3.439797 5.663247 3.247775 4.596015 7.532131 6.048396 2.370978 3.644030 0.000000 6.012420 9.615266 7.131724 9.361493 11.205897 10.748743 5.748461 6.072532 7.794739 6.178943 6.835253 4.519667 3.708818 3.585157 6.206344 3.842780 2.138541 5.341085 3.466654 0.000000 5.331032 9.528247 7.601210 9.186360 10.534738 11.206986 4.520465 5.968897 6.150784 3.775550 6.161239 5.581512 4.626990 3.330121 6.681884 6.132664 2.155225 3.534591 3.513382 3.514085 0.000000 4.519098 4.006732 2.746238 2.425188 5.581061 4.519619 8.024012 5.881702 7.860147 9.369085 9.503834 4.100911 4.658632 5.866744 4.524989 5.673296 7.042164 6.127554 7.698238 8.032097 8.623450 0.000000 2.551154 4.776625 3.095993 3.482901 5.974777 6.257756 5.981784 4.645761 5.988059 6.887738 7.837208 2.902057 3.096103 3.482689 3.547077 4.977186 4.776286 3.434879 5.751817 6.257325 5.974946 2.902731 0.000000 4.731397 5.689266 3.398069 4.649655 7.533134 6.148916 7.651814 5.750416 8.214876 8.976142 9.061755 2.408838 3.398798 4.650382 3.563640 3.395914 5.690401 5.952872 6.619383 6.149980 7.534396 2.408791 3.207164 0.000000 6.160524 4.419028 3.671554 3.550221 6.132299 3.842889 9.406896 6.946576 9.252046 11.005517 10.571422 5.673452 6.059091 7.708723 6.200978 6.728216 8.634543 7.995482 9.011105 9.332934 10.416654 2.143649 4.977903 3.396094 0.000000 5.824532 5.626811 4.748907 3.382229 6.682419 6.207089 9.422406 7.624104 9.167870 10.424363 11.131021 4.524809 5.991476 6.191082 3.865328 6.200928 7.953696 6.950270 9.075197 8.948289 9.239770 2.150185 3.547367 3.563540 3.527618 0.000000 3.663606 4.117044 4.487775 5.805581 4.519395 5.748580 3.880757 2.703366 2.405384 5.503851 4.399456 8.023376 5.791041 7.791729 9.422395 9.405453 6.977463 4.910045 5.612926 8.646219 7.830948 6.961971 5.982183 7.651542 7.897698 8.589918 0.000000 2.157930 3.221421 3.381243 3.424254 3.533854 5.341460 4.909684 3.633358 3.604807 5.969634 6.490813 6.126905 4.856773 6.018765 6.950136 7.994500 6.258181 3.520913 6.051117 8.146936 7.041887 4.806737 3.434969 5.952497 6.342948 5.890390 3.231865 0.000000 4.114966 2.370730 3.247531 4.596097 3.513221 3.466669 5.612952 3.316234 4.655997 7.484571 6.089157 7.696903 5.781259 8.199790 9.074759 9.008717 7.733796 6.051359 6.627573 9.124118 9.064919 5.663448 5.752079 6.618240 6.049001 7.532727 2.405397 3.644969 0.000000 5.430642 5.690142 5.973832 7.683872 6.160312 6.835525 4.399920 3.666934 3.540138 6.111879 3.809348 9.503200 6.988169 9.249419 11.130941 10.569815 7.970656 6.491177 6.089466 9.363084 8.837397 8.643022 7.837627 9.061631 9.280155 10.449035 2.138708 5.359471 3.440023 0.000000 4.932121 4.465484 5.760421 6.030355 3.773310 6.177618 5.504350 4.727775 3.313708 6.608055 6.111978 9.368429 7.483208 9.075038 10.424421 11.004191 8.601297 5.970544 7.484789 10.449923 9.158575 7.789149 6.887987 8.975223 8.754514 9.117291 2.156581 3.518055 3.496292 3.490444 0.000000 3.489103 5.984771 3.469754 6.198756 7.829680 6.886338 4.654065 3.136601 5.970977 6.252777 5.693155 3.673712 1.353075 4.225254 5.777995 4.054468 3.412801 4.417304 3.263200 3.954576 5.492407 5.062699 4.155345 3.682533 6.029345 6.694891 5.756177 5.470265 5.498918 6.608786 7.656920 0.000000 3.487788 3.412340 1.353106 4.225373 5.491605 3.955639 5.754829 3.135196 5.969481 7.655681 6.607469 5.060922 3.468384 6.197726 6.693933 6.026811 5.983993 5.468838 5.498238 6.885146 7.829203 3.674938 4.154690 3.682070 4.057454 5.778860 4.652982 4.416510 3.262114 5.692429 6.251176 2.955747 0.000000 3.179812 5.359366 4.208949 3.796309 6.109979 7.007219 6.443085 5.493032 6.166245 6.995032 8.434423 3.748106 4.207520 3.792571 3.742878 5.883016 5.355859 3.499067 6.481698 7.003771 6.106608 3.750518 1.349574 4.381836 5.885494 3.744900 6.444775 3.501090 6.484199 8.435803 6.997416 5.373866 5.374259 0.000000 H3Mo7S24(3-) 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 1441.140000000001 AuxInfo=1/0/N:1;2;7;12;17;22;27;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;23;24;25;26;28;29;30;31;32;33;34/rA:34nMoMoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0009,-.4584,.6718;4.088,.043,-.175;1.7276,.9307,-1.0012;3.4819,1.9785,1.1695;5.2654,-.8234,1.4088;5.3759,.8729,-1.6669;-1.9462,-3.4589,-.1234;-.0032,-1.9026,-1.1777;-.0064,-3.9814,1.2;-3.3103,-4.0323,1.4454;-1.9131,-5.0039,-1.602;-2.0442,3.5016,-.0763;-1.7245,.9364,-1.0018;-3.4757,1.9906,1.169;-1.9246,4.9791,1.4813;-3.3564,4.1618,-1.6377;-4.0883,.0569,-.1746;-1.7622,-.8981,1.8385;-3.3172,-1.8774,-1.3082;-5.3728,.8908,-1.6673;-5.2693,-.8049,1.4089;2.0567,3.4952,-.0753;.0031,2.0051,1.3347;.0071,3.8467,-1.291;3.3718,4.1517,-1.6356;1.9407,4.9728,1.4823;1.9345,-3.4656,-.1239;1.7587,-.9039,1.8388;3.3104,-1.8882,-1.3091;1.8963,-5.0104,-1.6024;3.2977,-4.0428,1.4444;-1.4773,.63,-2.2963;1.4784,.6243,-2.2954;.001,2.0035,2.6843; 0.0369706 0.0364108 0.0208648 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 942 937 938 939 942 MxSgAt= 34 MxSgA2= 34. 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 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 936 936 936 936 936 MxSgAt= 34 MxSgA2= 34. 1 = 3.30D-02 ExpMax= 9.18D+03 ExpMxC= 1.38D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 functional with IExCor= 1009 and IRadAn= 5 diagonalized for initial guess. : IExCor= 1009 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 (A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A") (A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|Beta|Orbitals: (A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A") (A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A') -0.0000 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 Mo Mo S S S S Mo S S S S Mo S S S S Mo S S S S Mo S S S S Mo S S S S H H H 95 95 33 33 33 33 95 33 33 33 33 95 33 33 33 33 95 33 33 33 33 95 33 33 33 33 95 33 33 33 33 1 1 1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 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 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 1 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 2 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 7 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 12 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 17 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 18 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 19 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 20 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 21 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 22 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 24 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 25 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 26 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 27 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 29 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 31 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 32 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33 H 1 -1.47059931e-01 -9.51295050e-01 -6.18315095e-13 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 42 42 16 16 16 16 42 16 16 16 16 42 16 16 16 16 42 16 16 16 16 42 16 16 16 16 42 16 16 16 16 1 1 1 -0.000000000 0.113324422 -0.036996035 0.035870180 0.007943326 -0.006306211 0.011400455 -0.007102238 -0.014900144 -0.004132876 -0.000200360 0.004447972 -0.012809168 -0.005072068 0.015782695 -0.011323950 0.003394920 -0.010993819 -0.013535655 0.025266580 0.000166615 0.000000000 -0.026672450 0.001045673 -0.000000000 -0.006762241 0.002152245 0.009041393 -0.008263461 0.012607202 0.002565830 -0.011667131 -0.013012372 -0.022782853 -0.036338471 -0.000995679 -0.011400455 -0.007102237 -0.014900142 0.004132876 -0.000200360 0.004447971 0.002503307 0.012709741 0.013095826 0.010211927 0.008912683 -0.012940109 -0.035870178 0.007943324 -0.006306208 0.016563415 -0.019916512 0.011564695 0.002916578 -0.003230185 -0.002171935 0.011323951 0.003394920 -0.010993819 0.012809166 -0.005072067 0.015782692 0.022782855 -0.036338473 -0.000995680 0.000000000 -0.017535088 0.021951721 0.000000000 0.001783366 -0.003412550 -0.010211928 0.008912683 -0.012940111 -0.002503307 0.012709742 0.013095828 0.013535658 0.025266580 0.000166613 -0.016563414 -0.019916512 0.011564696 -0.002916579 -0.003230184 -0.002171937 -0.002565830 -0.011667131 -0.013012372 -0.009041395 -0.008263462 0.012607205 0.004046210 -0.000901638 0.021474916 -0.004046210 -0.000901638 0.021474918 0.000000000 0.004791618 -0.020380360 0.113324422 0.017666326 (Enter /usr/local/gaussian/g16a03/g16/l716.exe) -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 open 1 1 1 -10034.8718652419 -10034.8718662121 -0.000000970231 -10034.8718633073 0.000002904868 -10034.8718661085 -0.000002801236 -10034.8718662755 -0.000000167005 -10034.8718663463 -0.000000070850 -10034.8718663556 -0.000000009226 -10034.8718663573 -0.000000001757 -10034.8718663578 -0.000000000447 -10034.8718663576 0.000000000160 -10034.8718663579 -0.000000000313 -10034.8718664 11 -0.0000 9.700799621613e+03 -4.786368749321e+04 1.611298172098e+04 Using DIIS extrapolation, IDIIS= 1040. NGot= 14763950080 LenX= 14762040031 LenY= 14761102039 Requested convergence on RMS density matrix=1.00D-08 within 350 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. -0.0000 (Enter /usr/local/gaussian/g16a03/g16/l716.exe) 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 Mo Mo S S S S Mo S S S S Mo S S S S Mo S S S S Mo S S S S Mo S S S S H H H 95 95 33 33 33 33 95 33 33 33 33 95 33 33 33 33 95 33 33 33 33 95 33 33 33 33 95 33 33 33 33 1 1 1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 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 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 1 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 2 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 7 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 12 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 17 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 18 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 19 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 20 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 21 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 22 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 24 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 25 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 26 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 27 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 29 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 31 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 32 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33 H 1 PT1154083S 2023-12-13T17:32:58.000 -88.26603 -88.26570 -88.26564 -88.25064 -88.25063 -88.24458 -88.23586 -88.23584 -88.23516 -88.23516 -88.23262 -88.23260 -88.22992 -88.22991 -88.22898 -88.22897 -88.22678 -88.22677 -88.22582 -88.22580 -88.22554 -88.22553 -88.22470 -88.22402 -7.65902 -7.65881 -7.65877 -7.64504 -7.64504 -7.63846 -7.63244 -7.63243 -7.63177 -7.63177 -7.62924 -7.62923 -7.62641 -7.62640 -7.62524 -7.62523 -7.62318 -7.62316 -7.62217 -7.62216 -7.62080 -7.62080 -7.62022 -7.61991 -5.57223 -5.57212 -5.57210 -5.56816 -5.56615 -5.56612 -5.56601 -5.56598 -5.56451 -5.55549 -5.55549 -5.55408 -5.55408 -5.55322 -5.55322 -5.54897 -5.54735 -5.54667 -5.54251 -5.54251 -5.54185 -5.54185 -5.54178 -5.54176 -5.54111 -5.54111 -5.54029 -5.54028 -5.53960 -5.53960 -5.53895 -5.53894 -5.53883 -5.53881 -5.53720 -5.53719 -5.53636 -5.53634 -5.53591 -5.53589 -5.53557 -5.53557 -5.53495 -5.53494 -5.53424 -5.53423 -5.53342 -5.53340 -5.53323 -5.53322 -5.53271 -5.53269 -5.53250 -5.53249 -5.53187 -5.53186 -5.53130 -5.53130 -5.53114 -5.53110 -5.53070 -5.53068 -5.52996 -5.52996 -5.52948 -5.52905 -5.52905 -5.52903 -5.52793 -5.52793 -5.52734 -5.52677 -2.32224 -2.31222 -2.31220 -2.31122 -2.31121 -2.31073 -2.31072 -1.34391 -1.34271 -1.34142 -1.33548 -1.33544 -1.33400 -1.33396 -1.33394 -1.33393 -1.33225 -1.33213 -1.33131 -1.33122 -1.33064 -1.33062 -1.33026 -1.32979 -1.32921 -1.32903 -1.32875 -1.32868 -0.46143 -0.44293 -0.43585 -0.41595 -0.39974 -0.39946 -0.39342 -0.38791 -0.38757 -0.38718 -0.38587 -0.38300 -0.37939 -0.37864 -0.37785 -0.37669 -0.37648 -0.37619 -0.37417 -0.37391 -0.37290 -0.37257 -0.37029 -0.36976 -0.18354 -0.16451 -0.14627 -0.10547 -0.10354 -0.10178 -0.09575 -0.09098 -0.09057 -0.08694 -0.08500 -0.08100 -0.07855 -0.07814 -0.07338 -0.07169 -0.06773 -0.06664 -0.06581 -0.06484 -0.06336 -0.06232 -0.06000 -0.05799 -0.05567 -0.05529 -0.05184 -0.05037 -0.04936 -0.04870 -0.04780 -0.04517 -0.04273 -0.04166 -0.03881 -0.03879 -0.03600 -0.03575 -0.03246 -0.03233 -0.02909 -0.02882 -0.02679 -0.02374 -0.02054 -0.01970 -0.01695 -0.01198 -0.01079 -0.00897 0.00099 0.00215 0.00471 0.00870 0.01151 0.01947 0.02072 0.02215 0.02299 0.02349 0.02440 0.02673 0.02805 0.03055 0.03198 0.03401 0.03993 0.04281 0.04501 0.04648 0.05091 0.05440 0.10332 0.10391 0.11094 0.11101 0.11271 0.11536 0.11699 0.11816 0.11905 0.11960 0.12529 0.12565 0.12690 0.13057 0.13196 0.13267 0.13427 0.13714 0.13860 0.14002 0.14598 0.16512 0.16575 0.17700 0.17783 0.18937 0.19265 0.19387 0.20385 0.20462 0.20620 0.20758 0.21805 0.21995 0.23630 0.25687 0.26485 0.27088 0.27125 0.27577 0.28188 0.28780 0.29023 0.29597 0.30053 0.31194 0.31198 0.31758 0.32143 0.32444 0.33162 0.33429 0.34136 0.34147 0.34656 0.34713 0.35040 0.35096 0.35534 0.35766 0.36249 0.37097 0.37136 0.37855 0.38726 0.39839 0.40599 0.40683 0.41397 0.41969 0.42861 0.43562 0.44481 0.44613 0.45365 0.45689 0.46679 0.47577 0.47803 0.47816 0.47919 0.48190 0.48658 0.48927 0.49326 0.49408 0.49539 0.49765 0.50033 0.50461 0.50856 0.51102 0.51360 0.51561 0.52145 0.52277 0.53494 0.53947 0.53952 0.54677 0.55129 0.55322 0.56122 0.57340 0.57372 0.57758 0.57770 0.58265 0.58642 0.58870 0.59018 0.59999 0.60254 0.60265 0.60661 0.60829 0.60993 0.61200 0.61887 0.62098 0.62776 0.64569 0.65110 0.65406 0.65809 0.66483 0.66741 0.67426 0.68765 0.69784 0.70856 0.71169 0.72424 0.72831 0.73004 0.73170 0.73597 0.73783 0.73969 0.74485 0.74526 0.74841 0.74996 0.75104 0.75318 0.75358 0.75853 0.76115 0.76243 0.76806 0.77082 0.77370 0.77662 0.78030 0.78357 0.78467 0.78598 0.78940 0.79264 0.79470 0.79895 0.79998 0.80167 0.80511 0.80899 0.81208 0.81322 0.81395 0.82017 0.82139 0.82566 0.82834 0.83044 0.83304 0.83791 0.83904 0.84103 0.84185 0.84706 0.84903 0.84914 0.85034 0.85396 0.85580 0.85814 0.85966 0.86018 0.86384 0.86480 0.86717 0.87404 0.87526 0.87926 0.88023 0.88495 0.88759 0.89079 0.89176 0.89513 0.89594 0.89831 0.90049 0.90084 0.90106 0.90221 0.90507 0.90665 0.90722 0.90884 0.91645 0.91756 0.92273 0.92748 0.93010 0.93604 0.93701 0.94517 0.95867 0.95929 0.96188 0.96510 0.97345 0.97881 0.98500 0.98583 0.99266 0.99505 0.99658 0.99747 1.00197 1.00666 1.00687 1.01196 1.01557 1.02500 1.02922 1.03001 1.03422 1.03863 1.03964 1.04740 1.04901 1.04926 1.05790 1.05963 1.06003 1.06456 1.06461 1.06761 1.07358 1.07532 1.08047 1.08053 1.08355 1.09012 1.09023 1.09498 1.09592 1.09763 1.10091 1.10606 1.10732 1.11126 1.11429 1.11523 1.11642 1.11870 1.12523 1.12604 1.13004 1.13086 1.13688 1.13786 1.14407 1.14968 1.14979 1.15492 1.15782 1.16728 1.16848 1.17429 1.17551 1.17829 1.18507 1.18802 1.19699 1.19912 1.20050 1.20505 1.20571 1.21438 1.21600 1.22163 1.22888 1.23320 1.23858 1.24805 1.25030 1.25595 1.26319 1.26451 1.26864 1.27445 1.28031 1.28601 1.28877 1.29285 1.29419 1.30268 1.30774 1.31135 1.31166 1.32044 1.32734 1.32752 1.32958 1.32979 1.33493 1.33903 1.34030 1.34153 1.34424 1.34630 1.34812 1.35545 1.36018 1.36134 1.36287 1.36389 1.36816 1.37214 1.37283 1.37710 1.38317 1.38580 1.39081 1.39095 1.39139 1.39317 1.39884 1.40069 1.40541 1.41032 1.41625 1.41692 1.41938 1.42036 1.42894 1.43185 1.43207 1.43798 1.43819 1.45016 1.45325 1.45590 1.45690 1.46177 1.46530 1.47212 1.47346 1.47424 1.47921 1.48234 1.49131 1.49841 1.50089 1.51190 1.51202 1.51675 1.52240 1.53253 1.53465 1.54221 1.54548 1.54579 1.55124 1.55687 1.56312 1.56352 1.56886 1.57675 1.58811 1.59153 1.59358 1.60188 1.60933 1.61925 1.62882 1.63666 1.64533 1.64662 1.65270 1.65426 1.65996 1.66551 1.67187 1.67857 1.68491 1.68788 1.69152 1.69416 1.69437 1.69874 1.70772 1.71167 1.72198 1.72357 1.73534 1.74119 1.76366 1.76698 1.77336 1.78023 1.78462 1.79123 1.81558 1.82187 1.82224 1.82585 1.84181 1.85016 1.85308 1.86783 1.86818 1.87417 1.88681 1.89582 1.89919 1.89948 1.91097 1.92488 1.92557 1.95375 1.96383 1.96571 1.97751 1.98439 2.00048 2.02925 2.03545 2.04359 2.04746 2.06679 2.08001 2.11783 2.13202 2.14183 2.14552 2.15523 2.15628 2.16164 2.16788 2.17646 2.18559 2.18577 2.19914 2.21084 2.22296 2.22858 2.30286 2.30646 2.34606 2.35374 2.38956 2.41105 2.44672 2.51781 2.52368 2.52909 2.69594 2.69685 2.70236 2.70350 2.70500 2.70974 2.71168 2.71242 2.71384 2.71570 2.71616 2.71888 2.72031 2.72199 2.72576 2.72580 2.72886 2.73076 2.73200 2.73290 2.73458 2.73580 2.74167 2.74477 2.74503 2.74769 2.74785 2.75171 2.76293 2.76380 2.77387 2.77764 2.78198 2.78306 2.78682 2.78785 2.79249 2.79311 2.79699 2.79997 2.80116 2.80688 2.80979 2.81204 2.81853 2.82022 2.82141 2.82360 2.82848 2.83317 2.83504 2.83970 2.84568 2.84636 2.85011 2.85056 2.85286 2.85467 2.85937 2.85978 2.86177 2.86255 2.86647 2.87068 2.87876 2.87923 2.88062 2.88700 2.89285 2.90086 2.90366 2.90476 2.92144 2.92366 2.92532 2.92913 2.94240 2.95699 2.95909 2.97547 2.97557 2.98363 2.98413 2.99601 2.99838 3.00473 3.01427 3.01941 3.02875 3.02950 3.05264 3.08877 3.09008 3.10003 3.11439 3.12334 3.13035 3.13131 3.13622 3.13809 3.14287 3.14380 3.16536 3.17557 3.18032 3.31099 3.31101 3.32214 3.32550 3.33626 3.34276 3.34938 24.89842 24.92179 24.92782 24.94088 24.97774 24.99926 25.10756 85.11881 85.12737 85.12840 85.13318 85.14601 85.15163 85.18691 -88.26603 -88.26570 -88.26564 -88.25064 -88.25063 -88.24458 -88.23586 -88.23584 -88.23516 -88.23516 -88.23262 -88.23260 -88.22992 -88.22991 -88.22898 -88.22897 -88.22678 -88.22677 -88.22582 -88.22580 -88.22554 -88.22553 -88.22470 -88.22402 -7.65902 -7.65881 -7.65877 -7.64504 -7.64504 -7.63846 -7.63244 -7.63243 -7.63177 -7.63177 -7.62924 -7.62923 -7.62641 -7.62640 -7.62524 -7.62523 -7.62318 -7.62316 -7.62217 -7.62216 -7.62080 -7.62080 -7.62022 -7.61991 -5.57223 -5.57212 -5.57210 -5.56816 -5.56615 -5.56612 -5.56601 -5.56598 -5.56451 -5.55549 -5.55549 -5.55408 -5.55408 -5.55322 -5.55322 -5.54897 -5.54735 -5.54667 -5.54251 -5.54251 -5.54185 -5.54185 -5.54178 -5.54176 -5.54111 -5.54111 -5.54029 -5.54028 -5.53960 -5.53960 -5.53895 -5.53894 -5.53883 -5.53881 -5.53720 -5.53719 -5.53636 -5.53634 -5.53591 -5.53589 -5.53557 -5.53557 -5.53495 -5.53494 -5.53424 -5.53423 -5.53342 -5.53340 -5.53323 -5.53322 -5.53271 -5.53269 -5.53250 -5.53249 -5.53187 -5.53186 -5.53130 -5.53130 -5.53114 -5.53110 -5.53070 -5.53068 -5.52996 -5.52996 -5.52948 -5.52905 -5.52905 -5.52903 -5.52793 -5.52793 -5.52734 -5.52677 -2.32224 -2.31222 -2.31220 -2.31122 -2.31121 -2.31073 -2.31072 -1.34391 -1.34271 -1.34142 -1.33548 -1.33544 -1.33400 -1.33396 -1.33394 -1.33393 -1.33225 -1.33213 -1.33131 -1.33122 -1.33064 -1.33062 -1.33026 -1.32979 -1.32921 -1.32903 -1.32875 -1.32868 -0.46143 -0.44293 -0.43585 -0.41595 -0.39974 -0.39946 -0.39342 -0.38791 -0.38757 -0.38718 -0.38587 -0.38300 -0.37939 -0.37864 -0.37785 -0.37669 -0.37648 -0.37619 -0.37417 -0.37391 -0.37290 -0.37257 -0.37029 -0.36976 -0.18354 -0.16451 -0.14627 -0.10547 -0.10354 -0.10178 -0.09575 -0.09098 -0.09057 -0.08694 -0.08500 -0.08100 -0.07855 -0.07814 -0.07338 -0.07169 -0.06773 -0.06664 -0.06581 -0.06484 -0.06336 -0.06232 -0.06000 -0.05799 -0.05567 -0.05529 -0.05184 -0.05037 -0.04936 -0.04870 -0.04780 -0.04517 -0.04273 -0.04166 -0.03881 -0.03879 -0.03600 -0.03575 -0.03246 -0.03233 -0.02909 -0.02882 -0.02679 -0.02374 -0.02054 -0.01970 -0.01695 -0.01198 -0.01079 -0.00897 0.00099 0.00215 0.00471 0.00870 0.01151 0.01947 0.02072 0.02215 0.02299 0.02349 0.02440 0.02673 0.02805 0.03055 0.03198 0.03401 0.03993 0.04281 0.04501 0.04648 0.05091 0.05440 0.10332 0.10391 0.11094 0.11101 0.11271 0.11536 0.11699 0.11816 0.11905 0.11960 0.12529 0.12565 0.12690 0.13057 0.13196 0.13267 0.13427 0.13714 0.13860 0.14002 0.14598 0.16512 0.16575 0.17700 0.17783 0.18937 0.19265 0.19387 0.20385 0.20462 0.20620 0.20758 0.21805 0.21995 0.23630 0.25687 0.26485 0.27088 0.27125 0.27577 0.28188 0.28780 0.29023 0.29597 0.30053 0.31194 0.31198 0.31758 0.32143 0.32444 0.33162 0.33429 0.34136 0.34147 0.34656 0.34713 0.35040 0.35096 0.35534 0.35766 0.36249 0.37097 0.37136 0.37855 0.38726 0.39839 0.40599 0.40683 0.41397 0.41969 0.42861 0.43562 0.44481 0.44613 0.45365 0.45689 0.46679 0.47577 0.47803 0.47816 0.47919 0.48190 0.48658 0.48927 0.49326 0.49408 0.49539 0.49765 0.50033 0.50461 0.50856 0.51102 0.51360 0.51561 0.52145 0.52277 0.53494 0.53947 0.53952 0.54677 0.55129 0.55322 0.56122 0.57340 0.57372 0.57758 0.57770 0.58265 0.58642 0.58870 0.59018 0.59999 0.60254 0.60265 0.60661 0.60829 0.60993 0.61200 0.61887 0.62098 0.62776 0.64569 0.65110 0.65406 0.65809 0.66483 0.66741 0.67426 0.68765 0.69784 0.70856 0.71169 0.72424 0.72831 0.73004 0.73170 0.73597 0.73783 0.73969 0.74485 0.74526 0.74841 0.74996 0.75104 0.75318 0.75358 0.75853 0.76115 0.76243 0.76806 0.77082 0.77370 0.77662 0.78030 0.78357 0.78467 0.78598 0.78940 0.79264 0.79470 0.79895 0.79998 0.80167 0.80511 0.80899 0.81208 0.81322 0.81395 0.82017 0.82139 0.82566 0.82834 0.83044 0.83304 0.83791 0.83904 0.84103 0.84185 0.84706 0.84903 0.84914 0.85034 0.85396 0.85580 0.85814 0.85966 0.86018 0.86384 0.86480 0.86717 0.87404 0.87526 0.87926 0.88023 0.88495 0.88759 0.89079 0.89176 0.89513 0.89594 0.89831 0.90049 0.90084 0.90106 0.90221 0.90507 0.90665 0.90722 0.90884 0.91645 0.91756 0.92273 0.92748 0.93010 0.93604 0.93701 0.94517 0.95867 0.95929 0.96188 0.96510 0.97345 0.97881 0.98500 0.98583 0.99266 0.99505 0.99658 0.99747 1.00197 1.00666 1.00687 1.01196 1.01557 1.02500 1.02922 1.03001 1.03422 1.03863 1.03964 1.04740 1.04901 1.04926 1.05790 1.05963 1.06003 1.06456 1.06461 1.06761 1.07358 1.07532 1.08047 1.08053 1.08355 1.09012 1.09023 1.09498 1.09592 1.09763 1.10091 1.10606 1.10732 1.11126 1.11429 1.11523 1.11642 1.11870 1.12523 1.12604 1.13004 1.13086 1.13688 1.13786 1.14407 1.14968 1.14979 1.15492 1.15782 1.16728 1.16848 1.17429 1.17551 1.17829 1.18507 1.18802 1.19699 1.19912 1.20050 1.20505 1.20571 1.21438 1.21600 1.22163 1.22888 1.23320 1.23858 1.24805 1.25030 1.25595 1.26319 1.26451 1.26864 1.27445 1.28031 1.28601 1.28877 1.29285 1.29419 1.30268 1.30774 1.31135 1.31166 1.32044 1.32734 1.32752 1.32958 1.32979 1.33493 1.33903 1.34030 1.34153 1.34424 1.34630 1.34812 1.35545 1.36018 1.36134 1.36287 1.36389 1.36816 1.37214 1.37283 1.37710 1.38317 1.38580 1.39081 1.39095 1.39139 1.39317 1.39884 1.40069 1.40541 1.41032 1.41625 1.41692 1.41938 1.42036 1.42894 1.43185 1.43207 1.43798 1.43819 1.45016 1.45325 1.45590 1.45690 1.46177 1.46530 1.47212 1.47346 1.47424 1.47921 1.48234 1.49131 1.49841 1.50089 1.51190 1.51202 1.51675 1.52240 1.53253 1.53465 1.54221 1.54548 1.54579 1.55124 1.55687 1.56312 1.56352 1.56886 1.57675 1.58811 1.59153 1.59358 1.60188 1.60933 1.61925 1.62882 1.63666 1.64533 1.64662 1.65270 1.65426 1.65996 1.66551 1.67187 1.67857 1.68491 1.68788 1.69152 1.69416 1.69437 1.69874 1.70772 1.71167 1.72198 1.72357 1.73534 1.74119 1.76366 1.76698 1.77336 1.78023 1.78462 1.79123 1.81558 1.82187 1.82224 1.82585 1.84181 1.85016 1.85308 1.86783 1.86818 1.87417 1.88681 1.89582 1.89919 1.89948 1.91097 1.92488 1.92557 1.95375 1.96383 1.96571 1.97751 1.98439 2.00048 2.02925 2.03545 2.04359 2.04746 2.06679 2.08001 2.11783 2.13202 2.14183 2.14552 2.15523 2.15628 2.16164 2.16788 2.17646 2.18559 2.18577 2.19914 2.21084 2.22296 2.22858 2.30286 2.30646 2.34606 2.35374 2.38956 2.41105 2.44672 2.51781 2.52368 2.52909 2.69594 2.69685 2.70236 2.70350 2.70500 2.70974 2.71168 2.71242 2.71384 2.71570 2.71616 2.71888 2.72031 2.72199 2.72576 2.72580 2.72886 2.73076 2.73200 2.73290 2.73458 2.73580 2.74167 2.74477 2.74503 2.74769 2.74785 2.75171 2.76293 2.76380 2.77387 2.77764 2.78198 2.78306 2.78682 2.78785 2.79249 2.79311 2.79699 2.79997 2.80116 2.80688 2.80979 2.81204 2.81853 2.82022 2.82141 2.82360 2.82848 2.83317 2.83504 2.83970 2.84568 2.84636 2.85011 2.85056 2.85286 2.85467 2.85937 2.85978 2.86177 2.86255 2.86647 2.87068 2.87876 2.87923 2.88062 2.88700 2.89285 2.90086 2.90366 2.90476 2.92144 2.92366 2.92532 2.92913 2.94240 2.95699 2.95909 2.97547 2.97557 2.98363 2.98413 2.99601 2.99838 3.00473 3.01427 3.01941 3.02875 3.02950 3.05264 3.08877 3.09008 3.10003 3.11439 3.12334 3.13035 3.13131 3.13622 3.13809 3.14287 3.14380 3.16536 3.17557 3.18032 3.31099 3.31101 3.32214 3.32550 3.33626 3.34276 3.34938 24.89842 24.92179 24.92782 24.94088 24.97774 24.99926 25.10756 85.11881 85.12737 85.12840 85.13318 85.14601 85.15163 85.18691 1-A. 1-A'. -6.50993536e-05 -4.82214883e-02 -1.95366892e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.0002 -0.1226 -0.4966 0.5115 -698.0406 -692.0857 -523.3801 0.0041 0.0032 1.8801 -60.2052 -54.2503 114.4554 0.0041 0.0032 1.8801 -0.0784 -40.4656 -3.4610 -0.0144 -27.3704 11.3841 0.0213 6.0637 16.9250 -0.0421 -30906.0483 -30200.3769 -4859.7121 0.3533 1.2831 -0.2648 -223.6538 0.0005 29.2324 -10133.4284 -5728.9485 -5622.4893 216.3269 -1.0492 0.0726 (A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|Beta|Orbitals: (A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A') (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A") (A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A") (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -10034.8718664 0. 0. 0. 6.93E-9 8.824E-6 -44.7610569,-40.3458741,85.1069309,0.0043895,-0.0076244,0.6565729 C01 [X(H3Mo7S24)] 0.000005 0.0470663 0.1956484 0.000020485 -0.000000774 -0.000012103 0.000002884 -0.000008673 -0.000017320 0.000004071 0.000006256 -0.000000848 0.000005970 0.000005453 -0.000006658 0.000007582 0.000004044 -0.000003997 -0.000000398 -0.000003556 0.000003293 0.000003300 0.000025192 0.000006702 -0.000002387 -0.000002643 0.000011332 -0.000006102 -0.000007700 0.000014897 -0.000002776 0.000003057 0.000009014 -0.000001074 -0.000005772 -0.000001602 0.000004966 -0.000000922 0.000031402 -0.000017552 0.000002797 -0.000020380 -0.000001307 0.000009891 -0.000005048 0.000000353 0.000002118 -0.000010243 -0.000006929 -0.000002698 -0.000010864 0.000004544 -0.000006543 0.000002895 -0.000007123 0.000002078 -0.000007947 0.000011010 -0.000013744 -0.000005578 0.000003496 -0.000000441 0.000003430 0.000000347 0.000000831 -0.000002978 -0.000008484 0.000000371 0.000015604 -0.000010350 0.000005204 0.000005934 -0.000007903 0.000007291 -0.000015978 0.000004570 -0.000008132 -0.000002742 0.000001938 0.000002127 -0.000010169 0.000017394 -0.000006890 0.000011206 -0.000019596 -0.000002599 0.000010468 -0.000008691 0.000006109 -0.000002650 -0.000002570 -0.000007784 0.000000085 -0.000002284 0.000008211 0.000006528 0.000011523 -0.000001008 0.000001903 -0.000001646 -0.000014408 0.000002057 0.000002739 0.000003261 0.000000356 1441.140000000001 AuxInfo=1/0/N:1;2;7;12;17;22;27;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;23;24;25;26;28;29;30;31;32;33;34/rA:34nMoMoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:0,.4536,-.6406;4.088,-.0597,.2034;1.7261,-.9483,1.0243;3.4787,-1.9862,-1.1526;5.267,.814,-1.3752;5.3744,-.9006,1.6905;-1.9403,3.4527,.1722;.0001,1.8869,1.2174;.0005,3.9797,-1.148;-3.3033,4.0376,-1.3933;-1.9046,4.9888,1.6599;-2.0501,-3.5073,.0839;-1.726,-.9481,1.0246;-3.4789,-1.9865,-1.1524;-1.9328,-4.9757,-1.4824;-3.3634,-4.1745,1.6413;-4.0883,-.0598,.2025;-1.7605,.9031,-1.8048;-3.3139,1.8665,1.3476;-5.3743,-.9003,1.6902;-5.2678,.8134,-1.3759;2.0508,-3.5078,.0832;-.0002,-2.006,-1.3181;.0006,-3.863,1.2967;3.3648,-4.1757,1.6397;1.9325,-4.976,-1.4831;1.9405,3.4527,.1729;1.7605,.903,-1.8049;3.3136,1.8661,1.3488;1.9048,4.9888,1.6606;3.3047,4.0369,-1.3918;-1.4784,-.6498,2.3209;1.4773,-.6491,2.3202;-.0021,-1.9964,-2.6677; Gaussian 16 GINC-O0305 RABBANI15 Checking optimization ES64L-G16RevA.03 96 C1[X(H3Mo7S24)] UM06L Gen/Auto Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UM06L/Gen/Auto 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 1441.140000000001 AuxInfo=1/0/N:1;2;7;12;17;22;27;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;23;24;25;26;28;29;30;31;32;33;34/rA:34nMoMoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:0,.4536,-.6406;4.088,-.0597,.2034;1.7261,-.9483,1.0243;3.4787,-1.9862,-1.1526;5.267,.814,-1.3752;5.3744,-.9006,1.6905;-1.9403,3.4527,.1722;.0001,1.8869,1.2174;.0005,3.9797,-1.148;-3.3033,4.0376,-1.3933;-1.9046,4.9888,1.6599;-2.0501,-3.5073,.0839;-1.726,-.9481,1.0246;-3.4789,-1.9865,-1.1524;-1.9328,-4.9757,-1.4824;-3.3634,-4.1745,1.6413;-4.0883,-.0598,.2025;-1.7605,.9031,-1.8048;-3.3139,1.8665,1.3476;-5.3743,-.9003,1.6902;-5.2678,.8134,-1.3759;2.0508,-3.5078,.0832;-.0002,-2.006,-1.3181;.0006,-3.863,1.2967;3.3648,-4.1757,1.6397;1.9325,-4.976,-1.4831;1.9405,3.4527,.1729;1.7605,.903,-1.8049;3.3136,1.8661,1.3488;1.9048,4.9888,1.6606;3.3047,4.0369,-1.3918;-1.4784,-.6498,2.3209;1.4773,-.6491,2.3202;-.0021,-1.9964,-2.6677; Checking optimization 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 98 98 32 32 32 32 98 32 32 32 32 98 32 32 32 32 98 32 32 32 32 98 32 32 32 32 98 32 32 32 32 1 1 1 97.9055000 97.9055000 31.9720718 31.9720718 31.9720718 31.9720718 97.9055000 31.9720718 31.9720718 31.9720718 31.9720718 97.9055000 31.9720718 31.9720718 31.9720718 31.9720718 97.9055000 31.9720718 31.9720718 31.9720718 31.9720718 97.9055000 31.9720718 31.9720718 31.9720718 31.9720718 97.9055000 31.9720718 31.9720718 31.9720718 31.9720718 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 206.6400000 206.6400000 13.6000000 13.6000000 13.6000000 13.6000000 206.6400000 13.6000000 13.6000000 13.6000000 13.6000000 206.6400000 13.6000000 13.6000000 13.6000000 13.6000000 206.6400000 13.6000000 13.6000000 13.6000000 13.6000000 206.6400000 13.6000000 13.6000000 13.6000000 13.6000000 206.6400000 13.6000000 13.6000000 13.6000000 13.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/g16a03/g16/l101.exe) Structure from the checkpoint file: "01.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 1 1 1 1 1 1 2 2 2 2 2 3 3 4 7 7 7 7 7 8 9 12 12 12 12 12 13 14 17 17 17 22 22 22 23 27 27 27 3 8 13 18 23 28 3 4 5 6 29 22 33 22 8 9 10 11 19 27 27 13 14 15 16 24 32 17 19 20 21 24 25 26 34 29 30 31 2.7778 2.3466 2.7779 2.1579 2.5512 2.1579 2.6537 2.4333 2.1552 2.1385 2.3707 2.7462 1.3531 2.4252 2.7035 2.4057 2.1566 2.1387 2.405 2.7034 2.4054 2.7458 2.4255 2.1502 2.1437 2.4088 1.3531 2.433 2.371 2.1385 2.1552 2.4088 2.1436 2.1502 1.3496 2.4054 2.1387 2.1566 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 3 3 3 3 8 8 8 13 13 18 18 23 3 3 3 3 4 4 4 5 5 6 1 1 1 2 2 22 2 8 8 8 8 9 9 9 10 10 11 1 1 7 7 13 13 13 13 14 14 14 15 15 16 1 1 12 12 14 14 14 19 19 20 7 3 3 3 3 4 4 4 24 24 25 1 12 8 8 8 8 9 9 9 29 29 30 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 4 7 7 7 7 7 7 7 7 7 7 8 8 8 9 12 12 12 12 12 12 12 12 12 12 13 13 13 14 17 17 17 17 17 17 19 22 22 22 22 22 22 22 22 22 22 23 24 27 27 27 27 27 27 27 27 27 27 29 8 13 23 28 13 18 28 18 23 23 28 28 4 5 6 29 5 6 29 6 29 29 2 22 33 22 33 33 22 9 10 11 19 10 11 19 11 19 19 7 27 27 27 14 15 16 24 15 16 24 16 24 24 12 32 32 17 19 20 21 20 21 21 17 4 24 25 26 24 25 26 25 26 26 34 22 9 29 30 31 29 30 31 30 31 31 27 80.4267 76.8307 70.8923 85.5019 80.4201 107.4534 107.456 85.5031 70.8937 93.2972 109.3341 93.3008 71.6035 148.1215 100.8722 80.3175 92.8523 103.1098 146.156 109.8569 101.7287 100.3638 101.4581 109.7834 110.3759 95.7873 112.6949 123.7825 111.1121 76.1155 153.0428 97.7633 80.7369 92.9859 102.1768 150.8628 108.7051 99.9417 98.2369 92.7299 92.7432 91.7368 107.5356 70.1072 151.5982 96.5182 82.2234 95.106 101.8055 148.289 110.4911 102.6787 96.3053 109.7719 110.4468 123.7311 111.1127 146.1538 103.1098 92.8697 100.355 101.7277 109.8523 119.1002 70.0919 82.1927 96.551 151.5845 148.2533 101.8059 95.1416 96.3151 102.6769 110.4813 104.9936 116.6914 76.1236 80.7223 97.774 153.0394 150.853 102.1906 93.0054 98.2353 99.9199 108.705 119.0831 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A88 A89 A90 A91 A92 A93 3 8 13 3 8 13 1 1 1 1 1 1 18 23 28 18 23 28 8 3 3 8 3 3 -1 -1 -1 -2 -2 -2 187.8801 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 151.319 162.3326 199.7197 156.3624 169.1258 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 8 8 8 13 13 13 23 23 23 28 28 28 3 3 13 13 18 18 28 28 7 27 3 3 8 8 18 18 23 23 3 13 18 28 4 4 4 5 5 5 6 6 6 29 29 29 3 5 6 29 3 4 5 6 1 1 1 1 2 2 2 2 33 33 33 33 2 2 2 2 9 9 10 10 11 11 19 19 8 10 11 19 8 9 10 11 1 1 1 1 7 7 7 7 7 7 7 7 14 14 15 15 16 16 24 24 13 15 16 24 13 14 15 16 12 12 12 14 20 21 3 4 25 26 8 9 30 31 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 8 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 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 14 14 14 17 17 17 22 22 22 22 27 27 27 27 3 3 3 3 3 3 3 3 3 3 3 3 8 8 8 8 8 8 8 8 23 23 13 13 13 13 13 13 13 13 23 23 23 23 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 29 29 29 29 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 8 8 8 8 8 8 8 8 9 9 9 9 19 19 19 19 27 27 27 27 27 27 27 27 27 27 27 27 13 13 13 13 13 13 13 13 14 14 14 14 24 24 24 24 17 17 17 19 19 19 24 24 24 24 29 29 29 29 2 22 33 2 22 33 2 22 33 2 22 33 7 27 7 27 7 27 7 27 34 34 12 32 12 32 12 32 12 32 34 34 34 34 1 22 33 1 22 33 1 22 33 1 22 33 22 22 22 22 27 27 27 27 4 24 25 26 4 24 25 26 4 24 25 26 3 24 25 26 1 27 1 27 1 27 1 27 27 27 27 27 17 17 17 17 9 29 30 31 9 29 30 31 8 29 30 31 1 32 1 32 1 32 1 32 17 17 17 17 22 22 22 22 19 20 21 7 7 7 12 12 12 12 2 2 2 2 -94.3572 165.1422 25.3277 -176.664 82.8353 -56.9791 109.2804 8.7797 -131.0347 14.2101 -86.2905 133.895 -173.1275 95.0007 -95.0068 173.1214 -12.8472 -104.719 104.7125 12.8408 48.1772 -48.3801 -82.8108 56.9877 -165.1259 -25.3273 86.3089 -133.8925 -8.7569 131.0416 -138.9665 138.8017 54.7177 -54.8852 -88.3169 23.2545 153.6593 -24.1323 87.4391 -142.1562 171.3411 -77.0875 53.3172 72.5366 -175.892 -45.4873 -28.4772 179.9475 68.7983 -63.9646 -86.3909 -52.4169 61.2156 174.2098 80.8325 -83.4373 -178.9466 18.806 -23.5651 172.1651 76.6558 -85.5916 -145.8673 49.8629 -45.6465 152.1061 27.7096 58.4051 -65.0567 -177.2489 -72.6429 20.1876 -4.2146 88.6159 -173.3383 -80.5078 89.5233 -177.6462 -23.989 -179.0189 71.1177 -62.3627 -91.9171 -54.2833 60.7437 171.4975 72.6279 -89.5306 173.336 4.1306 -20.1897 177.6518 80.5183 -88.687 23.9896 62.3664 -71.1267 179.0032 -80.8433 145.8121 -18.8906 -152.2351 178.9242 45.5796 83.4174 -49.9272 -27.6899 177.2371 65.0441 -58.4414 -89.7066 -60.6765 61.8472 174.5439 63.9327 -68.8047 -179.9538 52.405 -174.245 -61.2586 89.6922 60.7151 -174.5293 -61.8404 91.9276 54.2874 -171.4777 -60.7292 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00014 0.00403 0.00469 0.00516 0.00574 0.00709 0.00773 0.00827 0.00862 0.00954 0.01043 0.01162 0.01256 0.01322 0.01402 0.01591 0.01655 0.01812 0.01859 0.02089 0.02290 0.02414 0.02546 0.02797 0.02993 0.03191 0.03253 0.03378 0.03542 0.03858 0.04021 0.04057 0.04170 0.04513 0.04682 0.04912 0.05030 0.05105 0.05461 0.05734 0.06077 0.06312 0.06487 0.06730 0.06815 0.07193 0.07338 0.07519 0.07658 0.07984 0.08230 0.08587 0.08595 0.08859 0.09208 0.09321 0.09434 0.09676 0.09883 0.09930 0.10105 0.10170 0.10272 0.10592 0.10837 0.11150 0.11550 0.11592 0.11898 0.12212 0.13585 0.13689 0.15068 0.16729 0.18148 0.20723 0.21801 0.22082 0.22210 0.22582 0.22791 0.22874 0.23300 0.24511 0.25116 0.25629 0.25885 0.25971 0.26237 0.26330 0.26602 0.26871 0.26972 0.27621 0.29681 0.37808 Angle between quadratic step and forces= 83.21 degrees. 1 2 3 0.00281995 0.00001385 0.00000000 0.00001398 0.00000041 0.00000041 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 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 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 5.24935 4.43446 5.24952 4.07793 4.82098 4.07790 5.01484 4.59834 4.07281 4.04123 4.48003 5.18964 2.55700 4.58294 5.10892 4.54612 4.07537 4.04160 4.54487 5.10862 4.54552 5.18875 4.58347 4.06330 4.05102 4.55204 2.55694 4.59777 4.48050 4.04126 4.07279 4.55196 4.05091 4.06326 2.55033 4.54554 4.04157 4.07535 1.40371 1.34095 1.23730 1.49229 1.40360 1.87541 1.87546 1.49231 1.23733 1.62834 1.90824 1.62841 1.24972 2.58521 1.76055 1.40181 1.62058 1.79961 2.55090 1.91737 1.77550 1.75168 1.77078 1.91608 1.92642 1.67180 1.96690 2.16041 1.93927 1.32847 2.67110 1.70629 1.40912 1.62291 1.78332 2.63305 1.89726 1.74431 1.71456 1.61844 1.61867 1.60111 1.87685 1.22360 2.64589 1.68456 1.43507 1.65991 1.77684 2.58813 1.92843 1.79208 1.68085 1.91588 1.92766 2.15952 1.93928 2.55086 1.79961 1.62088 1.75153 1.77548 1.91729 2.07869 1.22334 1.43453 1.68513 2.64565 2.58751 1.77685 1.66053 1.68101 1.79205 1.92826 1.83248 2.03665 1.32861 1.40887 1.70648 2.67104 2.63288 1.78356 1.62325 1.71453 1.74393 1.89726 2.07839 3.27913 2.64101 2.83324 3.48577 2.72904 2.95180 -1.64684 2.88227 0.44205 -3.08337 1.44575 -0.99447 1.90730 0.15324 -2.28699 0.24801 -1.50605 2.33691 -3.02165 1.65807 -1.65818 3.02154 -0.22423 -1.82769 1.82758 0.22411 0.84085 -0.84439 -1.44532 0.99462 -2.88199 -0.44204 1.50637 -2.33687 -0.15284 2.28711 -2.42542 2.42255 0.95500 -0.95793 -1.54142 0.40587 2.68186 -0.42119 1.52610 -2.48109 2.99047 -1.34543 0.93056 1.26600 -3.06989 -0.79390 -0.49702 3.14068 1.20076 -1.11639 -1.50780 -0.91485 1.06841 3.04053 1.41079 -1.45626 -3.12321 0.32823 -0.41129 3.00485 1.33790 -1.49386 -2.54587 0.87027 -0.79668 2.65475 0.48362 1.01936 -1.13545 -3.09358 -1.26786 0.35234 -0.07356 1.54664 -3.02532 -1.40513 1.56248 -3.10051 -0.41869 -3.12447 1.24124 -1.08843 -1.60426 -0.94742 1.06018 2.99320 1.26760 -1.56260 3.02528 0.07209 -0.35238 3.10061 1.40531 -1.54788 0.41870 1.08850 -1.24140 3.12419 -1.41098 2.54490 -0.32970 -2.65700 3.12282 0.79551 1.45591 -0.87139 -0.48328 3.09337 1.13523 -1.02000 -1.56568 -1.05900 1.07944 3.04637 1.11584 -1.20087 -3.14079 0.91464 -3.04115 -1.06916 1.56542 1.05968 -3.04611 -1.07932 1.60444 0.94749 -2.99285 -1.05993 0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00002 0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 -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 0.00001 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 -0.00001 -0.00000 -0.00000 0.00001 0.00000 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 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00002 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00002 0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00001 0.00002 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 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 0.00002 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 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 -0.00001 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 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 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 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00001 -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 0.00034 0.00013 0.00016 0.00004 -0.00037 -0.00016 0.00004 -0.00095 0.00009 0.00004 0.00081 -0.00013 -0.00005 0.00093 -0.00045 -0.00072 -0.00005 -0.00001 0.00070 0.00080 0.00061 -0.00143 -0.00038 -0.00000 -0.00034 -0.00080 0.00008 0.00053 -0.00070 -0.00002 -0.00009 0.00058 0.00032 0.00009 -0.00000 -0.00105 -0.00006 0.00001 -0.00076 0.00006 0.00026 0.00060 0.00046 -0.00048 0.00044 -0.00057 -0.00031 0.00075 -0.00001 -0.00041 0.00056 0.00073 -0.00050 -0.00049 0.00037 0.00004 0.00002 -0.00001 -0.00019 -0.00019 -0.00045 -0.00161 0.00183 0.00002 -0.00138 0.00097 0.00001 0.00012 -0.00003 0.00013 -0.00042 0.00039 0.00023 -0.00033 0.00003 -0.00025 -0.00000 0.00045 -0.00016 -0.00002 0.00009 -0.00032 -0.00155 0.00209 -0.00113 0.00029 0.00016 -0.00132 -0.00036 0.00011 0.00105 0.00184 -0.00173 -0.00210 -0.00027 -0.00024 0.00002 -0.00022 0.00008 0.00036 0.00007 0.00016 0.00033 0.00120 -0.00155 0.00096 0.00132 -0.00018 -0.00073 -0.00064 -0.00005 0.00030 0.00003 0.00011 -0.00030 0.00043 -0.00012 0.00002 0.00006 -0.00022 -0.00043 0.00021 0.00038 -0.00007 0.00042 -0.00124 -0.00050 0.00066 0.00025 0.00024 -0.00106 -0.00158 -0.00098 -0.00261 -0.00221 -0.00161 -0.00324 -0.00182 -0.00122 -0.00285 -0.00115 -0.00055 -0.00218 0.00004 0.00005 0.00014 0.00015 -0.00021 -0.00020 -0.00025 -0.00024 0.01554 0.01543 -0.00130 -0.00424 -0.00041 -0.00335 0.00003 -0.00291 -0.00100 -0.00394 0.01307 0.01299 0.01389 0.01387 0.00092 -0.00082 -0.00034 0.00200 0.00026 0.00074 0.00066 -0.00109 -0.00060 0.00087 -0.00088 -0.00039 0.00116 0.00082 0.00073 0.00109 0.00012 0.00037 0.00080 0.00068 0.00019 0.00023 0.00056 0.00261 0.00098 0.00102 0.00135 0.00340 0.00227 0.00231 0.00263 0.00468 -0.00107 0.00037 0.00047 0.00038 0.00030 0.00016 0.00154 0.00140 0.00009 -0.00006 0.00016 0.00002 -0.00021 0.00006 -0.00010 -0.00004 -0.00063 -0.00072 -0.00069 -0.00071 0.00036 0.00042 0.00013 0.00209 -0.00009 -0.00003 -0.00031 0.00165 0.00015 0.00045 0.00029 0.00049 0.00011 0.00299 0.00227 0.00515 0.00069 0.00357 -0.00000 0.00288 -0.00130 0.00058 0.00084 -0.00018 0.00124 0.00021 -0.00059 -0.00064 0.00074 0.00091 0.00090 0.00082 0.00065 0.00084 0.00125 -0.00007 -0.00012 0.00000 -0.00086 -0.00104 -0.00097 -0.00090 0.00034 0.00013 0.00016 0.00004 -0.00037 -0.00016 0.00004 -0.00095 0.00009 0.00004 0.00081 -0.00013 -0.00005 0.00093 -0.00045 -0.00072 -0.00005 -0.00001 0.00070 0.00080 0.00061 -0.00143 -0.00038 -0.00000 -0.00034 -0.00080 0.00008 0.00053 -0.00070 -0.00002 -0.00009 0.00058 0.00032 0.00009 -0.00000 -0.00105 -0.00006 0.00001 -0.00076 0.00006 0.00026 0.00060 0.00046 -0.00048 0.00044 -0.00057 -0.00031 0.00075 -0.00001 -0.00041 0.00056 0.00073 -0.00050 -0.00049 0.00037 0.00004 0.00002 -0.00001 -0.00019 -0.00019 -0.00045 -0.00161 0.00183 0.00002 -0.00138 0.00097 0.00000 0.00012 -0.00004 0.00013 -0.00042 0.00039 0.00023 -0.00033 0.00003 -0.00025 -0.00000 0.00045 -0.00016 -0.00002 0.00009 -0.00032 -0.00155 0.00209 -0.00113 0.00029 0.00016 -0.00132 -0.00035 0.00011 0.00105 0.00184 -0.00173 -0.00210 -0.00027 -0.00024 0.00002 -0.00022 0.00008 0.00036 0.00007 0.00016 0.00033 0.00120 -0.00155 0.00096 0.00132 -0.00018 -0.00072 -0.00063 -0.00006 0.00030 0.00003 0.00011 -0.00030 0.00043 -0.00012 0.00002 0.00006 -0.00022 -0.00043 0.00021 0.00038 -0.00007 0.00042 -0.00124 -0.00050 0.00066 0.00025 0.00024 -0.00106 -0.00158 -0.00098 -0.00261 -0.00221 -0.00161 -0.00324 -0.00182 -0.00122 -0.00285 -0.00115 -0.00055 -0.00218 0.00004 0.00005 0.00014 0.00015 -0.00021 -0.00020 -0.00025 -0.00024 0.01554 0.01543 -0.00130 -0.00424 -0.00041 -0.00335 0.00003 -0.00291 -0.00100 -0.00394 0.01307 0.01299 0.01389 0.01387 0.00092 -0.00082 -0.00034 0.00200 0.00026 0.00074 0.00066 -0.00109 -0.00060 0.00087 -0.00088 -0.00039 0.00116 0.00082 0.00073 0.00109 0.00012 0.00037 0.00080 0.00068 0.00019 0.00023 0.00056 0.00261 0.00098 0.00102 0.00135 0.00340 0.00227 0.00231 0.00263 0.00468 -0.00107 0.00037 0.00047 0.00038 0.00030 0.00016 0.00154 0.00140 0.00009 -0.00006 0.00016 0.00002 -0.00021 0.00006 -0.00010 -0.00004 -0.00063 -0.00072 -0.00069 -0.00071 0.00036 0.00042 0.00013 0.00209 -0.00009 -0.00002 -0.00031 0.00165 0.00015 0.00045 0.00029 0.00049 0.00011 0.00299 0.00227 0.00515 0.00069 0.00357 -0.00000 0.00288 -0.00130 0.00058 0.00084 -0.00018 0.00124 0.00021 -0.00059 -0.00064 0.00074 0.00091 0.00090 0.00082 0.00065 0.00084 0.00125 -0.00007 -0.00012 0.00000 -0.00086 -0.00104 -0.00097 -0.00090 5.24969 4.43459 5.24968 4.07797 4.82061 4.07774 5.01489 4.59739 4.07291 4.04128 4.48084 5.18951 2.55695 4.58388 5.10847 4.54540 4.07533 4.04159 4.54557 5.10942 4.54613 5.18732 4.58310 4.06330 4.05067 4.55124 2.55702 4.59829 4.47980 4.04124 4.07270 4.55253 4.05123 4.06335 2.55032 4.54449 4.04151 4.07536 1.40295 1.34101 1.23756 1.49289 1.40406 1.87493 1.87590 1.49174 1.23701 1.62909 1.90822 1.62800 1.25027 2.58593 1.76006 1.40131 1.62095 1.79965 2.55092 1.91736 1.77531 1.75149 1.77033 1.91448 1.92825 1.67182 1.96551 2.16138 1.93928 1.32858 2.67107 1.70642 1.40870 1.62330 1.78355 2.63273 1.89729 1.74406 1.71455 1.61889 1.61852 1.60109 1.87694 1.22328 2.64434 1.68665 1.43394 1.66021 1.77700 2.58681 1.92808 1.79219 1.68190 1.91772 1.92593 2.15742 1.93901 2.55062 1.79963 1.62066 1.75160 1.77585 1.91735 2.07886 1.22366 1.43574 1.68358 2.64661 2.58882 1.77667 1.65981 1.68038 1.79199 1.92857 1.83251 2.03676 1.32831 1.40930 1.70636 2.67106 2.63294 1.78335 1.62282 1.71474 1.74431 1.89719 2.07881 3.27788 2.64051 2.83390 3.48601 2.72928 2.95074 -1.64842 2.88129 0.43944 -3.08558 1.44413 -0.99771 1.90548 0.15201 -2.28984 0.24687 -1.50661 2.33473 -3.02161 1.65812 -1.65804 3.02169 -0.22443 -1.82789 1.82733 0.22388 0.85639 -0.82896 -1.44663 0.99038 -2.88240 -0.44539 1.50641 -2.33977 -0.15384 2.28317 -2.41235 2.43553 0.96889 -0.94405 -1.54050 0.40505 2.68152 -0.41919 1.52636 -2.48035 2.99112 -1.34652 0.92996 1.26687 -3.07077 -0.79430 -0.49586 3.14150 1.20148 -1.11530 -1.50769 -0.91448 1.06921 3.04121 1.41099 -1.45602 -3.12265 0.33083 -0.41030 3.00587 1.33925 -1.49046 -2.54360 0.87258 -0.79405 2.65944 0.48255 1.01974 -1.13498 -3.09320 -1.26756 0.35250 -0.07202 1.54803 -3.02524 -1.40518 1.56263 -3.10049 -0.41890 -3.12441 1.24113 -1.08847 -1.60489 -0.94815 1.05949 2.99248 1.26795 -1.56218 3.02542 0.07419 -0.35246 3.10058 1.40500 -1.54623 0.41885 1.08895 -1.24111 3.12469 -1.41087 2.54790 -0.32743 -2.65185 3.12350 0.79908 1.45591 -0.86851 -0.48458 3.09395 1.13607 -1.02017 -1.56444 -1.05879 1.07884 3.04573 1.11658 -1.19996 -3.13989 0.91546 -3.04050 -1.06832 1.56668 1.05961 -3.04623 -1.07932 1.60357 0.94645 -2.99382 -1.06083 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000022 0.000005 0.036921 0.002820 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.003191e-07 0.000000 4.205651 0.000000 2.777837 2.653741 0.000000 4.279720 2.433338 2.981215 0.000000 5.330108 2.155241 4.626118 3.329886 0.000000 6.012626 2.138529 3.708976 3.585394 3.514186 0.000000 3.663325 6.976969 5.791097 7.791138 7.829514 8.646409 0.000000 2.346613 4.639925 3.324875 5.720022 5.967654 6.072666 2.703525 0.000000 3.562412 5.903433 5.655218 6.905754 6.148870 7.794388 2.405701 3.158329 0.000000 4.931904 8.600524 7.483228 9.074131 9.156494 10.449784 2.156595 4.727977 3.313427 0.000000 5.430277 7.969945 6.988200 9.248799 8.835818 9.363181 2.138722 3.666780 3.540062 3.490469 0.000000 4.518469 7.041063 4.657452 5.866070 8.622162 8.031130 6.961394 5.880900 7.859869 7.789626 8.642235 0.000000 2.777928 5.938606 3.452117 5.736499 7.600387 7.131772 4.487672 3.324720 5.655453 5.761171 5.973454 2.745768 0.000000 4.280031 7.925185 5.736476 6.957602 9.185949 9.361721 5.805737 5.720335 6.906623 6.031464 7.683899 2.425469 2.981614 0.000000 5.824267 7.953605 5.990890 6.191236 9.239554 8.948162 8.589284 7.623674 9.167836 9.117364 10.448272 2.150208 4.748611 3.381508 0.000000 6.159490 8.632696 6.057390 7.707792 10.414794 9.331175 7.896674 6.945007 9.251339 8.755072 9.278709 2.143705 3.670297 3.550478 3.527894 0.000000 4.205823 8.176339 5.939010 7.925129 9.527525 9.615824 4.117314 4.640506 5.904210 4.466697 5.690396 4.006726 2.654278 2.433034 5.625980 4.418895 0.000000 2.157946 6.258158 4.856682 6.018533 7.041097 8.147183 3.231251 3.633307 3.605201 3.517733 5.358857 4.806586 3.381361 3.424695 5.890246 6.342543 3.221097 0.000000 4.114827 7.733619 5.781855 8.199692 9.063845 9.124807 2.405044 3.316627 4.656066 3.496580 3.439797 5.663247 3.247775 4.596015 7.532131 6.048396 2.370978 3.644030 0.000000 6.012420 9.615266 7.131724 9.361493 11.205897 10.748743 5.748461 6.072532 7.794739 6.178943 6.835253 4.519667 3.708818 3.585157 6.206344 3.842780 2.138541 5.341085 3.466654 0.000000 5.331032 9.528247 7.601210 9.186360 10.534738 11.206986 4.520465 5.968897 6.150784 3.775550 6.161239 5.581512 4.626990 3.330121 6.681884 6.132664 2.155225 3.534591 3.513382 3.514085 0.000000 4.519098 4.006732 2.746238 2.425188 5.581061 4.519619 8.024012 5.881702 7.860147 9.369085 9.503834 4.100911 4.658632 5.866744 4.524989 5.673296 7.042164 6.127554 7.698238 8.032097 8.623450 0.000000 2.551154 4.776625 3.095993 3.482901 5.974777 6.257756 5.981784 4.645761 5.988059 6.887738 7.837208 2.902057 3.096103 3.482689 3.547077 4.977186 4.776286 3.434879 5.751817 6.257325 5.974946 2.902731 0.000000 4.731397 5.689266 3.398069 4.649655 7.533134 6.148916 7.651814 5.750416 8.214876 8.976142 9.061755 2.408838 3.398798 4.650382 3.563640 3.395914 5.690401 5.952872 6.619383 6.149980 7.534396 2.408791 3.207164 0.000000 6.160524 4.419028 3.671554 3.550221 6.132299 3.842889 9.406896 6.946576 9.252046 11.005517 10.571422 5.673452 6.059091 7.708723 6.200978 6.728216 8.634543 7.995482 9.011105 9.332934 10.416654 2.143649 4.977903 3.396094 0.000000 5.824532 5.626811 4.748907 3.382229 6.682419 6.207089 9.422406 7.624104 9.167870 10.424363 11.131021 4.524809 5.991476 6.191082 3.865328 6.200928 7.953696 6.950270 9.075197 8.948289 9.239770 2.150185 3.547367 3.563540 3.527618 0.000000 3.663606 4.117044 4.487775 5.805581 4.519395 5.748580 3.880757 2.703366 2.405384 5.503851 4.399456 8.023376 5.791041 7.791729 9.422395 9.405453 6.977463 4.910045 5.612926 8.646219 7.830948 6.961971 5.982183 7.651542 7.897698 8.589918 0.000000 2.157930 3.221421 3.381243 3.424254 3.533854 5.341460 4.909684 3.633358 3.604807 5.969634 6.490813 6.126905 4.856773 6.018765 6.950136 7.994500 6.258181 3.520913 6.051117 8.146936 7.041887 4.806737 3.434969 5.952497 6.342948 5.890390 3.231865 0.000000 4.114966 2.370730 3.247531 4.596097 3.513221 3.466669 5.612952 3.316234 4.655997 7.484571 6.089157 7.696903 5.781259 8.199790 9.074759 9.008717 7.733796 6.051359 6.627573 9.124118 9.064919 5.663448 5.752079 6.618240 6.049001 7.532727 2.405397 3.644969 0.000000 5.430642 5.690142 5.973832 7.683872 6.160312 6.835525 4.399920 3.666934 3.540138 6.111879 3.809348 9.503200 6.988169 9.249419 11.130941 10.569815 7.970656 6.491177 6.089466 9.363084 8.837397 8.643022 7.837627 9.061631 9.280155 10.449035 2.138708 5.359471 3.440023 0.000000 4.932121 4.465484 5.760421 6.030355 3.773310 6.177618 5.504350 4.727775 3.313708 6.608055 6.111978 9.368429 7.483208 9.075038 10.424421 11.004191 8.601297 5.970544 7.484789 10.449923 9.158575 7.789149 6.887987 8.975223 8.754514 9.117291 2.156581 3.518055 3.496292 3.490444 0.000000 3.489103 5.984771 3.469754 6.198756 7.829680 6.886338 4.654065 3.136601 5.970977 6.252777 5.693155 3.673712 1.353075 4.225254 5.777995 4.054468 3.412801 4.417304 3.263200 3.954576 5.492407 5.062699 4.155345 3.682533 6.029345 6.694891 5.756177 5.470265 5.498918 6.608786 7.656920 0.000000 3.487788 3.412340 1.353106 4.225373 5.491605 3.955639 5.754829 3.135196 5.969481 7.655681 6.607469 5.060922 3.468384 6.197726 6.693933 6.026811 5.983993 5.468838 5.498238 6.885146 7.829203 3.674938 4.154690 3.682070 4.057454 5.778860 4.652982 4.416510 3.262114 5.692429 6.251176 2.955747 0.000000 3.179812 5.359366 4.208949 3.796309 6.109979 7.007219 6.443085 5.493032 6.166245 6.995032 8.434423 3.748106 4.207520 3.792571 3.742878 5.883016 5.355859 3.499067 6.481698 7.003771 6.106608 3.750518 1.349574 4.381836 5.885494 3.744900 6.444775 3.501090 6.484199 8.435803 6.997416 5.373866 5.374259 0.000000 H3Mo7S24(3-) 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 1441.140000000001 AuxInfo=1/0/N:1;2;7;12;17;22;27;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;23;24;25;26;28;29;30;31;32;33;34/rA:34nMoMoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0009,-.4584,.6718;4.088,.043,-.175;1.7276,.9307,-1.0012;3.4819,1.9785,1.1695;5.2654,-.8234,1.4088;5.3759,.8729,-1.6669;-1.9462,-3.4589,-.1234;-.0032,-1.9026,-1.1777;-.0064,-3.9814,1.2;-3.3103,-4.0323,1.4454;-1.9131,-5.0039,-1.602;-2.0442,3.5016,-.0763;-1.7245,.9364,-1.0018;-3.4757,1.9906,1.169;-1.9246,4.9791,1.4813;-3.3564,4.1618,-1.6377;-4.0883,.0569,-.1746;-1.7622,-.8981,1.8385;-3.3172,-1.8774,-1.3082;-5.3728,.8908,-1.6673;-5.2693,-.8049,1.4089;2.0567,3.4952,-.0753;.0031,2.0051,1.3347;.0071,3.8467,-1.291;3.3718,4.1517,-1.6356;1.9407,4.9728,1.4823;1.9345,-3.4656,-.1239;1.7587,-.9039,1.8388;3.3104,-1.8882,-1.3091;1.8963,-5.0104,-1.6024;3.2977,-4.0428,1.4444;-1.4773,.63,-2.2963;1.4784,.6243,-2.2954;.001,2.0035,2.6843; 0.0369706 0.0364108 0.0208648 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 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 936 936 936 936 936 MxSgAt= 34 MxSgA2= 34. 1 open 1 1 1 -10034.8718663581 -10034.8718663578 0.000000000367 -10034.8718663579 -0.000000000156 -10034.8718664 3 -0.0000 9.700799620187e+03 -4.786368747703e+04 1.611298170622e+04 Using DIIS extrapolation, IDIIS= 1040. NGot= 14763950080 LenX= 14762040031 LenY= 14761102039 Requested convergence on RMS density matrix=1.00D-08 within 350 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. -0.0000 Using compressed storage, NAtomX= 34. Will process 35 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=1111111111111111111111111111111111 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. Density fitting will be used, IDenFit= 2 NucTyp= 0. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. 10154 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 14763950080 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=T KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 5 NGrid= 0 NMat0= 105 NMatS0= 105 NMatT0= 0 NMatD0= 105 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 4 FoldK=F IRaf= 670000000 NMat= 105 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=0 IntGTp=1. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. There are 105 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 102 vectors produced by pass 0 Test12= 2.90D-13 1.00D-09 XBig12= 1.69D+04 2.31D+01. AX will form 102 AO Fock derivatives at one time. 102 vectors produced by pass 1 Test12= 2.90D-13 1.00D-09 XBig12= 1.72D+04 1.52D+01. 102 vectors produced by pass 2 Test12= 2.90D-13 1.00D-09 XBig12= 3.80D+02 8.44D-01. 102 vectors produced by pass 3 Test12= 2.90D-13 1.00D-09 XBig12= 1.58D+01 1.99D-01. 102 vectors produced by pass 4 Test12= 2.90D-13 1.00D-09 XBig12= 3.89D-01 3.53D-02. 102 vectors produced by pass 5 Test12= 2.90D-13 1.00D-09 XBig12= 2.42D-03 2.64D-03. 102 vectors produced by pass 6 Test12= 2.90D-13 1.00D-09 XBig12= 1.52D-05 1.43D-04. 79 vectors produced by pass 7 Test12= 2.90D-13 1.00D-09 XBig12= 5.56D-08 9.38D-06. 8 vectors produced by pass 8 Test12= 2.90D-13 1.00D-09 XBig12= 1.51D-10 3.50D-07. 3 vectors produced by pass 9 Test12= 2.90D-13 1.00D-09 XBig12= 4.78D-13 2.30D-08. 1 vectors produced by pass 10 Test12= 2.90D-13 1.00D-09 XBig12= 1.27D-15 1.37D-09. InvSVY: IOpt=1 It= 1 EMax= 1.28D-13 Solved reduced A of dimension 805 with 105 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 854.58 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 1013.538 -0.006 994.248 -0.013 2.383 555.959 3635.493 -0.6813271 .382 0.001 21.0243150 .686 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 Mo Mo S S S S Mo S S S S Mo S S S S Mo S S S S Mo S S S S Mo S S S S H H H 95 95 33 33 33 33 95 33 33 33 33 95 33 33 33 33 95 33 33 33 33 95 33 33 33 33 95 33 33 33 33 1 1 1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 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 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 1 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 2 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 7 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 12 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 17 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 18 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 19 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 20 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 21 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 22 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 24 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 25 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 26 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 -0.0 27 Mo 95 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 29 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 31 S 33 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 32 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33 H 1 (Enter /usr/local/gaussian/g16a03/g16/l716.exe) PT71521S 2023-12-13T18:15:45.000 -88.26603 -88.26570 -88.26564 -88.25064 -88.25063 -88.24458 -88.23586 -88.23584 -88.23516 -88.23516 -88.23262 -88.23260 -88.22992 -88.22991 -88.22898 -88.22897 -88.22678 -88.22677 -88.22582 -88.22580 -88.22554 -88.22553 -88.22470 -88.22402 -7.65902 -7.65881 -7.65877 -7.64504 -7.64504 -7.63846 -7.63244 -7.63243 -7.63177 -7.63177 -7.62924 -7.62923 -7.62641 -7.62640 -7.62524 -7.62523 -7.62318 -7.62316 -7.62217 -7.62216 -7.62080 -7.62080 -7.62022 -7.61991 -5.57223 -5.57212 -5.57210 -5.56816 -5.56615 -5.56612 -5.56601 -5.56598 -5.56451 -5.55549 -5.55549 -5.55408 -5.55408 -5.55322 -5.55322 -5.54897 -5.54735 -5.54667 -5.54251 -5.54251 -5.54185 -5.54185 -5.54178 -5.54176 -5.54111 -5.54111 -5.54029 -5.54028 -5.53960 -5.53960 -5.53895 -5.53894 -5.53883 -5.53881 -5.53720 -5.53719 -5.53636 -5.53634 -5.53591 -5.53589 -5.53557 -5.53557 -5.53495 -5.53494 -5.53424 -5.53423 -5.53342 -5.53340 -5.53323 -5.53322 -5.53271 -5.53269 -5.53250 -5.53249 -5.53187 -5.53186 -5.53130 -5.53130 -5.53114 -5.53110 -5.53070 -5.53068 -5.52996 -5.52996 -5.52948 -5.52905 -5.52905 -5.52903 -5.52793 -5.52793 -5.52734 -5.52677 -2.32224 -2.31222 -2.31220 -2.31122 -2.31121 -2.31073 -2.31072 -1.34391 -1.34271 -1.34142 -1.33548 -1.33544 -1.33400 -1.33396 -1.33394 -1.33393 -1.33225 -1.33213 -1.33131 -1.33122 -1.33064 -1.33062 -1.33026 -1.32979 -1.32921 -1.32903 -1.32875 -1.32868 -0.46142 -0.44293 -0.43585 -0.41595 -0.39974 -0.39946 -0.39342 -0.38791 -0.38757 -0.38718 -0.38587 -0.38300 -0.37939 -0.37864 -0.37785 -0.37669 -0.37648 -0.37619 -0.37417 -0.37391 -0.37290 -0.37257 -0.37029 -0.36976 -0.18354 -0.16451 -0.14627 -0.10547 -0.10354 -0.10178 -0.09575 -0.09098 -0.09057 -0.08694 -0.08500 -0.08100 -0.07855 -0.07814 -0.07338 -0.07169 -0.06773 -0.06664 -0.06581 -0.06484 -0.06336 -0.06232 -0.06000 -0.05799 -0.05567 -0.05529 -0.05184 -0.05037 -0.04936 -0.04870 -0.04780 -0.04517 -0.04273 -0.04166 -0.03881 -0.03879 -0.03600 -0.03575 -0.03246 -0.03233 -0.02909 -0.02882 -0.02679 -0.02374 -0.02054 -0.01970 -0.01695 -0.01198 -0.01079 -0.00897 0.00099 0.00215 0.00471 0.00870 0.01151 0.01947 0.02072 0.02215 0.02299 0.02349 0.02440 0.02673 0.02805 0.03055 0.03198 0.03401 0.03993 0.04281 0.04501 0.04648 0.05091 0.05440 0.10332 0.10391 0.11094 0.11101 0.11271 0.11536 0.11699 0.11816 0.11905 0.11960 0.12529 0.12565 0.12690 0.13057 0.13196 0.13267 0.13427 0.13714 0.13860 0.14002 0.14598 0.16512 0.16575 0.17700 0.17783 0.18937 0.19265 0.19387 0.20385 0.20462 0.20620 0.20758 0.21805 0.21995 0.23630 0.25687 0.26485 0.27088 0.27125 0.27577 0.28188 0.28780 0.29023 0.29597 0.30053 0.31194 0.31198 0.31758 0.32143 0.32444 0.33162 0.33429 0.34136 0.34147 0.34656 0.34713 0.35040 0.35096 0.35534 0.35766 0.36249 0.37097 0.37136 0.37855 0.38726 0.39839 0.40599 0.40683 0.41397 0.41969 0.42861 0.43562 0.44481 0.44613 0.45365 0.45689 0.46679 0.47577 0.47803 0.47816 0.47919 0.48190 0.48658 0.48927 0.49326 0.49408 0.49539 0.49765 0.50033 0.50461 0.50856 0.51102 0.51360 0.51561 0.52145 0.52277 0.53494 0.53947 0.53952 0.54677 0.55129 0.55322 0.56122 0.57340 0.57372 0.57758 0.57770 0.58265 0.58642 0.58870 0.59018 0.59999 0.60254 0.60265 0.60661 0.60829 0.60993 0.61200 0.61887 0.62098 0.62776 0.64569 0.65110 0.65406 0.65809 0.66483 0.66741 0.67426 0.68765 0.69784 0.70856 0.71169 0.72424 0.72831 0.73004 0.73170 0.73597 0.73783 0.73969 0.74485 0.74526 0.74841 0.74996 0.75104 0.75318 0.75358 0.75853 0.76115 0.76243 0.76806 0.77082 0.77370 0.77662 0.78030 0.78357 0.78467 0.78598 0.78940 0.79264 0.79470 0.79895 0.79998 0.80167 0.80511 0.80899 0.81208 0.81322 0.81395 0.82017 0.82139 0.82566 0.82834 0.83044 0.83304 0.83791 0.83904 0.84103 0.84185 0.84706 0.84903 0.84914 0.85034 0.85396 0.85580 0.85814 0.85966 0.86018 0.86384 0.86480 0.86717 0.87404 0.87526 0.87926 0.88023 0.88495 0.88759 0.89079 0.89176 0.89513 0.89594 0.89831 0.90049 0.90084 0.90106 0.90221 0.90507 0.90665 0.90722 0.90884 0.91645 0.91756 0.92273 0.92748 0.93010 0.93604 0.93701 0.94517 0.95867 0.95929 0.96188 0.96510 0.97345 0.97881 0.98500 0.98583 0.99266 0.99505 0.99658 0.99747 1.00197 1.00666 1.00687 1.01196 1.01557 1.02500 1.02922 1.03001 1.03422 1.03863 1.03964 1.04740 1.04901 1.04926 1.05790 1.05963 1.06003 1.06456 1.06461 1.06761 1.07358 1.07532 1.08047 1.08053 1.08355 1.09012 1.09023 1.09498 1.09592 1.09763 1.10091 1.10606 1.10732 1.11126 1.11429 1.11523 1.11642 1.11870 1.12523 1.12604 1.13004 1.13086 1.13688 1.13786 1.14407 1.14968 1.14979 1.15492 1.15782 1.16728 1.16848 1.17429 1.17551 1.17829 1.18507 1.18802 1.19699 1.19912 1.20050 1.20505 1.20571 1.21438 1.21600 1.22163 1.22888 1.23320 1.23858 1.24805 1.25030 1.25595 1.26319 1.26451 1.26864 1.27445 1.28031 1.28601 1.28877 1.29285 1.29419 1.30268 1.30774 1.31135 1.31166 1.32044 1.32734 1.32752 1.32958 1.32979 1.33493 1.33903 1.34030 1.34153 1.34424 1.34630 1.34812 1.35545 1.36018 1.36134 1.36287 1.36389 1.36816 1.37214 1.37283 1.37710 1.38317 1.38580 1.39081 1.39095 1.39139 1.39317 1.39884 1.40069 1.40541 1.41032 1.41625 1.41692 1.41938 1.42036 1.42894 1.43185 1.43207 1.43798 1.43819 1.45016 1.45325 1.45590 1.45690 1.46177 1.46530 1.47212 1.47346 1.47424 1.47921 1.48234 1.49131 1.49841 1.50089 1.51190 1.51202 1.51675 1.52240 1.53253 1.53465 1.54221 1.54548 1.54579 1.55124 1.55687 1.56312 1.56352 1.56886 1.57675 1.58811 1.59153 1.59358 1.60188 1.60933 1.61925 1.62882 1.63666 1.64533 1.64662 1.65270 1.65426 1.65996 1.66551 1.67187 1.67857 1.68491 1.68788 1.69152 1.69416 1.69437 1.69874 1.70772 1.71167 1.72198 1.72357 1.73534 1.74119 1.76366 1.76698 1.77336 1.78023 1.78462 1.79123 1.81558 1.82187 1.82224 1.82585 1.84181 1.85016 1.85308 1.86783 1.86818 1.87417 1.88681 1.89582 1.89919 1.89948 1.91097 1.92488 1.92557 1.95375 1.96383 1.96571 1.97751 1.98439 2.00048 2.02925 2.03545 2.04359 2.04746 2.06679 2.08001 2.11783 2.13202 2.14183 2.14552 2.15523 2.15628 2.16164 2.16788 2.17646 2.18559 2.18577 2.19914 2.21084 2.22296 2.22858 2.30286 2.30646 2.34606 2.35374 2.38956 2.41105 2.44672 2.51781 2.52368 2.52909 2.69594 2.69685 2.70236 2.70350 2.70500 2.70974 2.71168 2.71242 2.71384 2.71570 2.71616 2.71888 2.72031 2.72199 2.72576 2.72580 2.72886 2.73076 2.73200 2.73290 2.73458 2.73580 2.74167 2.74477 2.74503 2.74769 2.74785 2.75171 2.76293 2.76380 2.77387 2.77764 2.78198 2.78306 2.78682 2.78785 2.79249 2.79311 2.79699 2.79997 2.80116 2.80688 2.80979 2.81204 2.81853 2.82022 2.82141 2.82360 2.82848 2.83317 2.83504 2.83970 2.84568 2.84636 2.85011 2.85056 2.85286 2.85467 2.85937 2.85978 2.86177 2.86255 2.86647 2.87068 2.87876 2.87923 2.88062 2.88700 2.89285 2.90086 2.90366 2.90476 2.92144 2.92366 2.92532 2.92913 2.94240 2.95699 2.95909 2.97547 2.97557 2.98363 2.98413 2.99601 2.99838 3.00473 3.01427 3.01941 3.02875 3.02950 3.05264 3.08877 3.09008 3.10003 3.11439 3.12334 3.13035 3.13131 3.13622 3.13809 3.14287 3.14380 3.16536 3.17557 3.18032 3.31099 3.31101 3.32214 3.32550 3.33626 3.34276 3.34938 24.89842 24.92179 24.92782 24.94088 24.97774 24.99926 25.10756 85.11881 85.12737 85.12840 85.13318 85.14601 85.15163 85.18691 -88.26603 -88.26570 -88.26564 -88.25064 -88.25063 -88.24458 -88.23586 -88.23584 -88.23516 -88.23516 -88.23262 -88.23260 -88.22992 -88.22991 -88.22898 -88.22897 -88.22678 -88.22677 -88.22582 -88.22580 -88.22554 -88.22553 -88.22470 -88.22402 -7.65902 -7.65881 -7.65877 -7.64504 -7.64504 -7.63846 -7.63244 -7.63243 -7.63177 -7.63177 -7.62924 -7.62923 -7.62641 -7.62640 -7.62524 -7.62523 -7.62318 -7.62316 -7.62217 -7.62216 -7.62080 -7.62080 -7.62022 -7.61991 -5.57223 -5.57212 -5.57210 -5.56816 -5.56615 -5.56612 -5.56601 -5.56598 -5.56451 -5.55549 -5.55549 -5.55408 -5.55408 -5.55322 -5.55322 -5.54897 -5.54735 -5.54667 -5.54251 -5.54251 -5.54185 -5.54185 -5.54178 -5.54176 -5.54111 -5.54111 -5.54029 -5.54028 -5.53960 -5.53960 -5.53895 -5.53894 -5.53883 -5.53881 -5.53720 -5.53719 -5.53636 -5.53634 -5.53591 -5.53589 -5.53557 -5.53557 -5.53495 -5.53494 -5.53424 -5.53423 -5.53342 -5.53340 -5.53323 -5.53322 -5.53271 -5.53269 -5.53250 -5.53249 -5.53187 -5.53186 -5.53130 -5.53130 -5.53114 -5.53110 -5.53070 -5.53068 -5.52996 -5.52996 -5.52948 -5.52905 -5.52905 -5.52903 -5.52793 -5.52793 -5.52734 -5.52677 -2.32224 -2.31222 -2.31220 -2.31122 -2.31121 -2.31073 -2.31072 -1.34391 -1.34271 -1.34142 -1.33548 -1.33544 -1.33400 -1.33396 -1.33394 -1.33393 -1.33225 -1.33213 -1.33131 -1.33122 -1.33064 -1.33062 -1.33026 -1.32979 -1.32921 -1.32903 -1.32875 -1.32868 -0.46142 -0.44293 -0.43585 -0.41595 -0.39974 -0.39946 -0.39342 -0.38791 -0.38757 -0.38718 -0.38587 -0.38300 -0.37939 -0.37864 -0.37785 -0.37669 -0.37648 -0.37619 -0.37417 -0.37391 -0.37290 -0.37257 -0.37029 -0.36976 -0.18354 -0.16451 -0.14627 -0.10547 -0.10354 -0.10178 -0.09575 -0.09098 -0.09057 -0.08694 -0.08500 -0.08100 -0.07855 -0.07814 -0.07338 -0.07169 -0.06773 -0.06664 -0.06581 -0.06484 -0.06336 -0.06232 -0.06000 -0.05799 -0.05567 -0.05529 -0.05184 -0.05037 -0.04936 -0.04870 -0.04780 -0.04517 -0.04273 -0.04166 -0.03881 -0.03879 -0.03600 -0.03575 -0.03246 -0.03233 -0.02909 -0.02882 -0.02679 -0.02374 -0.02054 -0.01970 -0.01695 -0.01198 -0.01079 -0.00897 0.00099 0.00215 0.00471 0.00870 0.01151 0.01947 0.02072 0.02215 0.02299 0.02349 0.02440 0.02673 0.02805 0.03055 0.03198 0.03401 0.03993 0.04281 0.04501 0.04648 0.05091 0.05440 0.10332 0.10391 0.11094 0.11101 0.11271 0.11536 0.11699 0.11816 0.11905 0.11960 0.12529 0.12565 0.12690 0.13057 0.13196 0.13267 0.13427 0.13714 0.13860 0.14002 0.14598 0.16512 0.16575 0.17700 0.17783 0.18937 0.19265 0.19387 0.20385 0.20462 0.20620 0.20758 0.21805 0.21995 0.23630 0.25687 0.26485 0.27088 0.27125 0.27577 0.28188 0.28780 0.29023 0.29597 0.30053 0.31194 0.31198 0.31758 0.32143 0.32444 0.33162 0.33429 0.34136 0.34147 0.34656 0.34713 0.35040 0.35096 0.35534 0.35766 0.36249 0.37097 0.37136 0.37855 0.38726 0.39839 0.40599 0.40683 0.41397 0.41969 0.42861 0.43562 0.44481 0.44613 0.45365 0.45689 0.46679 0.47577 0.47803 0.47816 0.47919 0.48190 0.48658 0.48927 0.49326 0.49408 0.49539 0.49765 0.50033 0.50461 0.50856 0.51102 0.51360 0.51561 0.52145 0.52277 0.53494 0.53947 0.53952 0.54677 0.55129 0.55322 0.56122 0.57340 0.57372 0.57758 0.57770 0.58265 0.58642 0.58870 0.59018 0.59999 0.60254 0.60265 0.60661 0.60829 0.60993 0.61200 0.61887 0.62098 0.62776 0.64569 0.65110 0.65406 0.65809 0.66483 0.66741 0.67426 0.68765 0.69784 0.70856 0.71169 0.72424 0.72831 0.73004 0.73170 0.73597 0.73783 0.73969 0.74485 0.74526 0.74841 0.74996 0.75104 0.75318 0.75358 0.75853 0.76115 0.76243 0.76806 0.77082 0.77370 0.77662 0.78030 0.78357 0.78467 0.78598 0.78940 0.79264 0.79470 0.79895 0.79998 0.80167 0.80511 0.80899 0.81208 0.81322 0.81395 0.82017 0.82139 0.82566 0.82834 0.83044 0.83304 0.83791 0.83904 0.84103 0.84185 0.84706 0.84903 0.84914 0.85034 0.85396 0.85580 0.85814 0.85966 0.86018 0.86384 0.86480 0.86717 0.87404 0.87526 0.87926 0.88023 0.88495 0.88759 0.89079 0.89176 0.89513 0.89594 0.89831 0.90049 0.90084 0.90106 0.90221 0.90507 0.90665 0.90722 0.90884 0.91645 0.91756 0.92273 0.92748 0.93010 0.93604 0.93701 0.94517 0.95867 0.95929 0.96188 0.96510 0.97345 0.97881 0.98500 0.98583 0.99266 0.99505 0.99658 0.99747 1.00197 1.00666 1.00687 1.01196 1.01557 1.02500 1.02922 1.03001 1.03422 1.03863 1.03964 1.04740 1.04901 1.04926 1.05790 1.05963 1.06003 1.06456 1.06461 1.06761 1.07358 1.07532 1.08047 1.08053 1.08355 1.09012 1.09023 1.09498 1.09592 1.09763 1.10091 1.10606 1.10732 1.11126 1.11429 1.11523 1.11642 1.11870 1.12523 1.12604 1.13004 1.13086 1.13688 1.13786 1.14407 1.14968 1.14979 1.15492 1.15782 1.16728 1.16848 1.17429 1.17551 1.17829 1.18507 1.18802 1.19699 1.19912 1.20050 1.20505 1.20571 1.21438 1.21600 1.22163 1.22888 1.23320 1.23858 1.24805 1.25030 1.25595 1.26319 1.26451 1.26864 1.27445 1.28031 1.28601 1.28877 1.29285 1.29419 1.30268 1.30774 1.31135 1.31166 1.32044 1.32734 1.32752 1.32958 1.32979 1.33493 1.33903 1.34030 1.34153 1.34424 1.34630 1.34812 1.35545 1.36018 1.36134 1.36287 1.36389 1.36816 1.37214 1.37283 1.37710 1.38317 1.38580 1.39081 1.39095 1.39139 1.39317 1.39884 1.40069 1.40541 1.41032 1.41625 1.41692 1.41938 1.42036 1.42894 1.43185 1.43207 1.43798 1.43819 1.45016 1.45325 1.45590 1.45690 1.46177 1.46530 1.47212 1.47346 1.47424 1.47921 1.48234 1.49131 1.49841 1.50089 1.51190 1.51202 1.51675 1.52240 1.53253 1.53465 1.54221 1.54548 1.54579 1.55124 1.55687 1.56312 1.56352 1.56886 1.57675 1.58811 1.59153 1.59358 1.60188 1.60933 1.61925 1.62882 1.63666 1.64533 1.64662 1.65270 1.65426 1.65996 1.66551 1.67187 1.67857 1.68491 1.68788 1.69152 1.69416 1.69437 1.69874 1.70772 1.71167 1.72198 1.72357 1.73534 1.74119 1.76366 1.76698 1.77336 1.78023 1.78462 1.79123 1.81558 1.82187 1.82224 1.82585 1.84181 1.85016 1.85308 1.86783 1.86818 1.87417 1.88681 1.89582 1.89919 1.89948 1.91097 1.92488 1.92557 1.95375 1.96383 1.96571 1.97751 1.98439 2.00048 2.02925 2.03545 2.04359 2.04746 2.06679 2.08001 2.11783 2.13202 2.14183 2.14552 2.15523 2.15628 2.16164 2.16788 2.17646 2.18559 2.18577 2.19914 2.21084 2.22296 2.22858 2.30286 2.30646 2.34606 2.35374 2.38956 2.41105 2.44672 2.51781 2.52368 2.52909 2.69594 2.69685 2.70236 2.70350 2.70500 2.70974 2.71168 2.71242 2.71384 2.71570 2.71616 2.71888 2.72031 2.72199 2.72576 2.72580 2.72886 2.73076 2.73200 2.73290 2.73458 2.73580 2.74167 2.74477 2.74503 2.74769 2.74785 2.75171 2.76293 2.76380 2.77387 2.77764 2.78198 2.78306 2.78682 2.78785 2.79249 2.79311 2.79699 2.79997 2.80116 2.80688 2.80979 2.81204 2.81853 2.82022 2.82141 2.82360 2.82848 2.83317 2.83504 2.83970 2.84568 2.84636 2.85011 2.85056 2.85286 2.85467 2.85937 2.85978 2.86177 2.86255 2.86647 2.87068 2.87876 2.87923 2.88062 2.88700 2.89285 2.90086 2.90366 2.90476 2.92144 2.92366 2.92532 2.92913 2.94240 2.95699 2.95909 2.97547 2.97557 2.98363 2.98413 2.99601 2.99838 3.00473 3.01427 3.01941 3.02875 3.02950 3.05264 3.08877 3.09008 3.10003 3.11439 3.12334 3.13035 3.13131 3.13622 3.13809 3.14287 3.14380 3.16536 3.17557 3.18032 3.31099 3.31101 3.32214 3.32550 3.33626 3.34276 3.34938 24.89842 24.92179 24.92782 24.94088 24.97774 24.99926 25.10756 85.11881 85.12737 85.12840 85.13318 85.14601 85.15163 85.18691 1-A. -6.72655656e-05 -4.82474911e-02 -1.95345571e-01 1.01353789e+03 -5.94708046e-03 9.94247690e+02 -1.30847036e-02 2.38299869e+00 5.55958822e+02 -4.9072 -0.0019 -0.0016 -0.0016 2.2714 5.8761 16.7028 32.4043 34.7475 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 16.0952 32.3951 34.6884 38.1852 44.2174 51.6309 52.4453 56.3358 60.6001 64.8209 70.7573 72.6934 76.0813 83.7517 87.8937 89.1747 96.5196 99.0340 99.5202 107.4134 107.6057 108.2513 110.8510 111.5102 112.3829 114.0760 114.1314 118.5193 124.6961 128.0279 129.7580 132.8678 135.8607 138.4281 142.9841 148.7209 149.3160 165.8318 167.9328 168.1156 170.8793 171.0277 175.7517 180.9443 182.0021 186.7515 193.6157 197.3632 198.8475 205.7552 210.9910 212.9572 214.0215 215.9457 218.8468 229.1852 240.1707 241.4943 242.6890 268.5895 276.3300 282.4806 285.9867 295.6667 305.9617 311.5466 320.9083 327.1134 327.1943 354.5039 355.2491 363.3296 368.7732 371.9565 489.2193 492.3982 495.1657 497.8546 499.3770 502.4190 507.4420 510.5981 517.1399 521.2545 522.1998 527.1050 530.3871 532.6743 534.7933 537.9508 572.0971 576.0462 585.3561 2660.1393 2660.7416 2691.1768 8.5368 38.7881 27.5190 38.6071 36.6723 34.5238 44.3277 34.9791 28.5428 35.0168 33.3943 30.1874 39.1221 29.6073 21.3143 33.3124 32.6858 31.7243 33.7862 13.4926 36.3192 28.6187 31.0613 27.1707 34.6055 33.0860 33.9451 14.2150 16.6326 31.1674 28.9718 27.3400 28.3455 37.5428 38.4938 27.2382 17.0877 28.2652 32.1044 30.2552 30.8942 31.7212 32.2658 24.4248 21.8654 20.5074 20.9854 34.1714 36.1983 25.9599 33.6747 17.7430 14.2423 15.4370 24.9140 17.1557 20.6750 12.8187 9.4986 32.2028 32.8827 25.3717 20.4609 20.6495 22.3244 28.2229 35.1191 26.5371 33.2948 32.9761 9.0776 1.8580 26.7862 32.6318 5.0432 24.0641 25.0784 23.4516 17.4062 21.8709 21.4031 14.7018 17.0088 7.3703 16.1207 29.9308 20.8500 7.3321 1.4874 1.5151 1.2681 1.2385 1.1179 1.0375 1.0374 1.0378 0.0013 0.0240 0.0195 0.0332 0.0422 0.0542 0.0718 0.0654 0.0618 0.0867 0.0985 0.0940 0.1334 0.1224 0.0970 0.1561 0.1794 0.1833 0.1972 0.0917 0.2478 0.1976 0.2249 0.1991 0.2575 0.2537 0.2605 0.1176 0.1524 0.3010 0.2874 0.2844 0.3083 0.4239 0.4637 0.3550 0.2245 0.4580 0.5334 0.5038 0.5315 0.5467 0.5872 0.4712 0.4267 0.4214 0.4635 0.7842 0.8433 0.6475 0.8832 0.4741 0.3844 0.4241 0.7030 0.5309 0.7026 0.4405 0.3296 1.3687 1.4794 1.1928 0.9860 1.0636 1.2313 1.6140 2.1309 1.6730 2.1001 2.4417 0.6750 0.1445 2.1463 2.6600 0.7112 3.4376 3.6228 3.4247 2.5575 3.2527 3.2471 2.2583 2.6800 1.1799 2.5900 4.8996 3.4557 1.2258 0.2506 0.2583 0.2445 0.2421 0.2257 4.3255 4.3271 4.4285 0.0183 0.5846 0.3737 0.2563 0.0017 0.6416 0.0069 0.4026 0.1399 1.4669 0.1326 0.3985 0.0498 1.2659 0.3134 1.7032 0.1912 1.7935 0.1066 0.1291 2.6101 1.6461 0.0037 0.3679 3.1946 1.4426 0.4228 0.9697 2.6571 0.0354 3.3730 2.3951 0.0633 8.7532 13.5289 0.7711 7.4311 5.9217 10.0251 0.4248 5.5874 0.5607 0.4568 5.0948 5.1578 9.0359 6.6044 0.0530 0.0461 1.0715 3.7450 5.0324 20.9857 8.5502 9.1736 4.5735 3.2979 0.0609 4.6671 1.4572 7.9740 2.7787 2.4459 4.2333 1.1102 1.8556 80.0818 198.3207 121.7883 0.2391 4.5323 31.8074 11.9083 117.6897 102.7768 10.7518 14.9250 4.2859 91.4434 195.9041 103.0831 61.0956 0.9270 33.3753 16.5985 76.3814 56.2461 179.5888 7.7846 40.5613 0.3418 0.5323 0.3357 1.0270 5.1153 7.9433 0.05 0.00 -0.00 0.02 -0.01 0.02 0.03 -0.07 -0.07 -0.00 -0.00 -0.02 0.01 0.01 0.04 0.02 -0.03 0.02 0.02 0.02 -0.02 0.02 -0.00 -0.00 -0.01 0.00 0.00 -0.02 0.05 -0.05 0.01 0.03 -0.03 -0.07 0.05 0.02 0.03 0.07 0.07 -0.00 0.00 0.02 -0.01 0.02 0.05 -0.13 0.11 0.11 0.02 0.01 -0.02 0.03 0.00 -0.03 0.05 0.05 -0.04 0.02 0.03 -0.02 0.01 -0.01 -0.04 -0.07 -0.05 -0.02 0.12 0.00 -0.00 -0.09 0.00 -0.00 -0.13 -0.11 -0.10 -0.01 -0.02 -0.05 0.02 -0.02 0.02 0.03 -0.00 0.03 0.05 -0.05 0.04 0.01 -0.03 0.03 -0.02 -0.05 0.05 0.15 0.17 0.07 0.15 -0.17 -0.07 0.84 -0.00 0.00 -0.00 0.05 0.17 0.01 0.04 0.14 0.02 -0.02 0.09 -0.03 0.09 0.04 -0.08 0.04 0.20 0.10 0.00 0.20 0.00 -0.05 -0.12 0.00 0.06 0.12 -0.01 -0.14 -0.14 0.05 -0.19 -0.14 0.00 0.08 -0.25 -0.00 0.00 -0.10 -0.03 -0.02 0.09 0.03 0.09 0.05 0.03 0.11 -0.21 -0.03 -0.10 -0.12 -0.01 0.03 0.14 0.02 -0.04 0.15 -0.04 0.05 0.08 -0.11 0.01 0.21 0.08 0.03 0.20 0.01 0.01 -0.11 -0.00 0.05 0.04 -0.00 -0.10 -0.13 0.03 -0.10 -0.14 -0.02 0.12 -0.22 -0.01 -0.05 -0.11 -0.03 -0.03 0.15 0.04 0.05 0.09 0.00 0.07 -0.24 -0.06 -0.19 -0.12 -0.04 -0.09 0.10 0.03 -0.08 0.10 -0.02 0.11 0.04 -0.04 -0.00 -0.01 -0.00 0.03 -0.02 -0.02 0.04 0.02 0.04 0.09 -0.09 0.03 0.13 0.01 -0.04 -0.04 -0.09 -0.05 -0.01 -0.14 0.02 -0.00 -0.00 -0.13 0.00 0.00 -0.12 -0.09 -0.23 0.07 0.03 -0.18 0.07 -0.07 0.13 -0.02 -0.04 -0.02 0.04 -0.10 0.09 0.11 -0.12 0.17 0.05 -0.04 0.15 -0.00 -0.03 0.02 -0.02 -0.04 -0.01 -0.02 0.02 -0.10 -0.03 0.04 0.08 0.03 -0.13 -0.02 0.07 0.07 -0.12 -0.04 -0.00 -0.00 0.01 0.00 0.00 0.05 0.05 -0.14 0.11 0.11 -0.16 -0.05 0.02 0.15 -0.02 0.04 -0.00 -0.02 -0.02 0.10 0.07 -0.04 0.20 -0.11 0.10 0.24 -0.09 -0.06 -0.03 -0.09 0.07 0.02 -0.58 -0.00 -0.00 -0.00 0.09 0.34 -0.03 -0.00 -0.16 -0.06 0.00 0.13 0.08 -0.00 -0.07 0.04 -0.00 -0.21 -0.10 -0.01 -0.22 0.05 -0.06 -0.03 0.00 0.03 0.28 -0.00 -0.10 0.02 -0.01 0.02 -0.06 0.04 -0.07 -0.01 -0.04 0.02 0.01 0.06 -0.00 0.13 -0.08 -0.00 -0.07 -0.09 0.02 0.01 0.02 0.03 -0.03 0.03 -0.00 -0.16 0.00 0.02 0.27 0.12 -0.00 -0.06 0.11 -0.01 -0.22 -0.04 -0.00 -0.21 0.04 0.02 0.01 0.00 0.06 0.18 -0.00 -0.00 0.07 -0.02 0.03 -0.03 0.09 0.02 0.01 -0.05 -0.06 -0.03 -0.00 0.02 0.27 -0.12 -0.00 -0.06 -0.04 -0.07 -0.01 0.01 0.02 -0.06 0.20 -0.05 0.17 -0.20 -0.05 0.17 -0.00 0.10 0.18 -0.04 -0.00 -0.00 0.00 0.06 0.11 0.01 0.00 0.04 -0.01 0.10 -0.01 -0.14 -0.03 0.16 0.13 0.00 0.20 0.00 -0.04 0.12 -0.06 0.00 -0.00 0.05 0.00 -0.00 -0.00 0.11 0.17 -0.10 -0.12 0.21 0.03 -0.06 0.15 0.01 -0.00 -0.04 -0.01 -0.10 0.01 0.14 -0.15 0.23 0.04 0.08 0.20 -0.00 -0.06 -0.11 -0.07 0.02 -0.04 0.01 -0.08 -0.01 0.13 -0.00 -0.19 -0.14 0.03 -0.16 0.03 0.06 -0.15 -0.02 -0.00 0.00 -0.01 -0.00 0.00 0.04 -0.08 -0.20 0.14 0.15 -0.23 0.00 0.04 -0.12 -0.07 -0.02 0.04 0.01 0.08 0.01 -0.10 0.13 -0.21 -0.00 -0.11 -0.17 0.04 0.06 -0.05 0.04 -0.06 0.05 -0.31 -0.00 -0.00 -0.11 -0.00 0.01 -0.03 -0.04 -0.05 -0.02 -0.05 0.00 -0.03 -0.08 0.00 -0.23 -0.25 -0.02 0.14 -0.05 0.09 0.06 -0.06 0.01 -0.01 0.01 -0.00 0.09 0.01 0.00 0.13 -0.35 -0.03 0.22 0.07 -0.12 -0.00 0.06 0.03 -0.03 0.04 0.01 -0.04 0.08 -0.00 0.08 0.04 0.04 0.00 0.13 0.05 -0.05 0.04 0.05 -0.15 -0.04 -0.04 -0.04 -0.03 0.15 0.10 0.05 -0.07 -0.22 0.21 0.01 0.00 -0.08 -0.03 -0.03 -0.00 0.01 -0.01 -0.02 -0.00 0.00 -0.16 -0.06 0.08 -0.05 -0.04 0.06 0.09 -0.01 -0.14 0.04 0.05 -0.03 0.04 -0.16 0.22 -0.05 0.13 0.14 0.40 0.03 0.00 0.06 0.02 0.00 -0.06 -0.00 0.15 -0.01 0.01 0.01 -0.09 0.10 0.19 0.04 -0.03 0.07 -0.08 0.13 0.13 -0.04 0.01 0.24 -0.01 -0.09 0.15 0.10 -0.03 -0.02 0.19 0.01 0.00 0.10 -0.05 -0.01 0.19 0.02 -0.00 0.13 0.01 0.04 0.22 -0.01 -0.01 -0.16 -0.03 -0.06 -0.09 0.13 -0.12 -0.05 0.01 0.03 -0.17 -0.03 0.02 -0.15 -0.05 -0.19 0.03 -0.03 -0.04 -0.04 0.06 -0.10 0.08 -0.05 -0.17 0.09 -0.01 -0.20 -0.04 -0.09 0.01 -0.16 -0.03 0.00 -0.12 0.11 -0.00 -0.27 -0.04 -0.02 -0.13 -0.04 -0.04 -0.16 -0.02 0.01 0.18 0.01 0.06 -0.04 0.06 0.11 0.08 -0.02 -0.07 0.22 -0.03 -0.02 0.08 0.01 -0.01 0.05 0.10 0.01 0.06 0.11 -0.01 -0.15 0.11 0.01 0.07 0.03 -0.03 -0.08 -0.00 0.02 0.01 -0.01 0.01 -0.05 0.01 -0.27 -0.31 0.05 0.19 -0.13 0.16 0.03 0.08 -0.07 0.00 0.03 0.00 -0.01 0.10 -0.01 -0.02 0.36 -0.01 -0.09 -0.07 0.08 -0.04 -0.02 0.01 -0.02 0.01 -0.01 -0.00 -0.06 0.01 -0.10 0.01 -0.01 -0.04 -0.08 -0.02 0.04 -0.08 -0.01 0.04 0.10 0.06 0.05 0.03 -0.17 -0.20 -0.14 0.17 0.29 -0.33 0.05 0.04 -0.01 0.01 0.00 0.07 -0.01 -0.00 0.01 0.04 0.04 -0.07 -0.02 0.10 0.02 -0.01 -0.03 0.07 -0.07 -0.02 0.10 0.05 -0.05 0.03 -0.15 0.07 -0.06 0.07 0.00 0.32 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.07 -0.01 0.00 0.00 -0.00 -0.11 -0.07 0.02 -0.09 0.01 0.03 -0.09 -0.00 0.01 -0.07 0.05 0.05 -0.16 -0.07 -0.02 0.11 0.19 -0.03 0.11 0.00 -0.00 0.13 0.00 0.00 0.24 0.14 0.09 0.07 0.19 -0.03 0.02 -0.03 0.01 -0.09 -0.01 -0.03 -0.09 0.00 -0.01 0.01 -0.11 0.08 0.04 0.03 0.01 -0.11 0.07 -0.02 -0.03 0.01 -0.04 -0.01 0.08 -0.01 -0.16 0.06 0.02 -0.07 -0.05 -0.05 0.02 0.03 -0.01 -0.11 0.00 0.00 0.01 0.00 0.00 0.04 -0.03 -0.01 0.02 0.11 -0.08 0.11 -0.18 0.03 -0.03 -0.01 0.04 -0.01 -0.08 0.01 0.07 -0.19 0.03 0.24 -0.14 -0.09 -0.20 0.02 -0.06 -0.20 -0.01 0.06 -0.55 0.00 -0.00 -0.00 0.09 -0.07 0.01 -0.08 0.02 0.03 0.06 -0.02 0.07 -0.02 -0.02 0.01 -0.10 0.01 0.03 -0.15 -0.01 0.07 0.04 0.07 -0.00 0.13 -0.02 0.00 0.13 0.16 -0.02 -0.24 -0.12 0.44 0.15 -0.04 -0.08 0.03 0.01 -0.02 0.06 -0.02 -0.07 -0.01 -0.02 -0.24 0.06 -0.00 -0.04 -0.06 -0.06 -0.01 -0.08 0.02 -0.02 0.03 -0.07 0.04 -0.03 0.00 -0.02 -0.15 -0.01 -0.01 -0.10 0.01 0.08 0.03 0.01 0.00 0.07 0.02 0.00 0.09 0.12 0.04 -0.07 -0.06 0.24 0.05 -0.00 -0.07 0.04 0.07 0.02 0.04 -0.07 -0.04 -0.03 0.00 -0.44 0.15 -0.04 0.02 -0.24 -0.12 0.01 0.10 -0.02 -0.01 0.10 -0.02 0.00 -0.06 0.03 -0.00 -0.03 -0.07 0.01 0.02 0.04 -0.03 -0.00 0.06 0.05 -0.00 0.07 0.13 0.05 -0.04 -0.12 0.09 -0.03 -0.06 -0.02 -0.02 -0.00 -0.04 -0.06 -0.00 -0.06 -0.10 -0.01 0.06 0.05 -0.23 -0.04 -0.00 -0.07 0.00 0.06 0.03 -0.00 0.05 -0.05 0.00 0.06 -0.39 0.18 -0.08 0.02 -0.30 -0.14 -0.01 0.02 0.03 -0.01 -0.01 -0.07 -0.03 0.02 0.01 0.11 0.08 -0.03 -0.12 0.05 -0.04 0.07 -0.00 0.06 -0.00 0.03 0.09 0.00 0.05 0.19 -0.02 -0.32 -0.15 0.40 0.18 -0.08 0.06 -0.01 -0.02 0.01 -0.01 -0.07 0.03 0.02 0.02 0.23 -0.04 -0.00 0.01 0.06 0.05 -0.01 0.03 0.04 0.01 0.04 0.04 -0.01 -0.13 0.09 -0.05 0.00 0.00 -0.02 0.04 0.06 -0.09 -0.01 0.07 -0.06 -0.08 0.14 0.21 0.07 -0.09 -0.25 0.22 -0.03 0.02 -0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.04 -0.10 0.03 0.02 0.10 -0.02 -0.09 0.01 -0.07 -0.06 0.08 -0.14 0.20 0.01 0.04 0.07 0.36 0.04 -0.02 -0.04 -0.07 -0.01 0.04 0.06 -0.01 -0.05 -0.02 -0.26 -0.22 0.04 0.22 -0.07 0.09 0.01 -0.10 0.02 -0.08 -0.00 -0.00 0.04 -0.00 -0.00 0.07 -0.34 -0.03 0.18 -0.02 -0.04 0.02 0.05 0.02 -0.01 -0.04 -0.06 -0.01 0.05 0.02 0.03 0.10 -0.03 -0.00 -0.00 0.02 -0.08 -0.14 -0.03 -0.08 0.13 0.03 -0.31 0.00 -0.00 0.00 -0.11 0.01 -0.19 0.01 0.03 -0.13 -0.04 0.05 -0.17 -0.03 0.11 -0.12 -0.03 -0.05 -0.32 0.17 0.01 0.03 0.08 0.01 0.00 0.02 -0.05 -0.00 0.12 0.08 -0.07 0.07 -0.08 0.18 0.09 0.01 0.09 -0.05 0.02 0.13 -0.04 0.05 0.17 -0.03 0.11 0.13 0.09 -0.11 0.06 -0.23 -0.03 0.19 0.01 0.03 -0.02 -0.07 0.02 0.11 0.05 -0.10 0.32 0.17 0.01 0.12 -0.04 -0.05 -0.09 -0.05 0.02 -0.00 -0.07 0.03 -0.00 -0.09 -0.09 -0.06 -0.23 -0.03 -0.13 0.09 -0.11 -0.04 0.08 0.01 0.02 -0.07 0.02 -0.11 0.05 -0.10 -0.18 0.09 0.01 0.07 0.07 -0.08 0.08 -0.10 0.05 -0.08 -0.10 0.05 -0.00 0.02 0.03 0.18 0.00 -0.00 -0.11 -0.05 0.09 -0.02 0.04 -0.08 0.02 0.07 0.04 -0.06 -0.13 0.02 -0.16 -0.04 0.05 -0.03 -0.06 -0.00 -0.05 0.00 0.00 -0.03 0.00 -0.00 -0.00 -0.14 -0.01 0.00 -0.04 -0.02 0.03 -0.06 -0.08 -0.02 -0.04 0.08 0.02 -0.07 -0.04 -0.02 -0.21 0.07 -0.02 0.01 0.01 -0.11 0.05 -0.08 0.30 0.02 0.15 -0.08 -0.03 0.09 -0.16 0.04 -0.05 -0.07 0.13 -0.02 0.03 0.06 0.08 0.20 0.00 -0.00 0.02 -0.00 -0.00 -0.02 -0.02 -0.01 -0.02 0.21 -0.07 -0.03 0.06 0.00 0.30 -0.02 -0.15 -0.08 0.03 -0.08 0.00 0.04 0.02 -0.00 0.14 0.01 0.12 0.04 0.08 0.12 -0.04 -0.08 0.51 0.00 -0.00 0.04 0.01 -0.00 -0.02 0.03 -0.12 0.05 -0.05 -0.02 -0.01 0.02 0.04 -0.11 0.21 0.05 0.07 0.11 -0.00 -0.06 0.01 -0.03 0.02 0.00 0.00 -0.02 0.01 0.00 0.05 -0.04 0.05 -0.07 -0.02 0.00 0.07 -0.00 -0.13 0.05 0.05 0.01 -0.01 -0.03 -0.04 0.03 -0.18 0.04 -0.02 0.12 -0.00 -0.02 -0.03 0.13 -0.09 0.02 -0.16 0.03 -0.01 0.00 0.08 -0.10 0.00 -0.13 -0.20 -0.05 0.06 -0.00 0.13 0.12 0.01 -0.01 0.04 -0.00 -0.00 -0.02 -0.14 0.00 0.03 0.17 -0.04 -0.07 -0.01 0.02 -0.09 0.01 0.16 0.04 0.01 -0.00 -0.08 0.01 -0.00 0.03 0.04 -0.05 0.18 0.23 -0.00 0.17 -0.22 0.00 0.61 0.01 -0.01 -0.00 0.19 -0.02 0.03 -0.03 0.06 0.01 0.00 -0.04 -0.03 -0.06 0.06 0.18 0.03 -0.02 -0.11 0.07 -0.00 0.07 -0.03 -0.12 -0.00 0.01 0.02 0.00 0.16 0.02 0.26 0.01 0.06 0.10 -0.17 0.02 0.05 -0.07 0.05 -0.02 -0.00 -0.04 0.03 -0.06 0.07 0.06 -0.07 0.05 0.03 -0.16 0.02 -0.03 -0.03 0.04 0.01 0.31 0.02 -0.06 -0.04 0.04 0.10 0.08 -0.00 -0.17 0.05 -0.02 -0.06 -0.07 0.03 -0.01 0.21 -0.14 -0.00 -0.03 -0.09 -0.02 -0.15 0.03 -0.06 -0.09 0.06 -0.06 -0.03 -0.12 0.00 0.31 0.00 0.05 -0.04 0.04 -0.09 -0.17 0.02 -0.27 0.01 0.07 0.02 0.08 -0.05 -0.04 0.11 -0.05 -0.04 0.36 -0.14 0.00 -0.14 0.05 -0.02 0.06 -0.12 -0.01 -0.08 -0.06 -0.11 -0.03 -0.01 -0.18 0.25 0.11 0.15 0.16 0.09 0.06 0.01 -0.05 -0.00 -0.09 -0.06 0.00 0.10 0.06 0.23 -0.02 0.10 0.17 -0.10 0.07 -0.03 0.01 -0.00 0.01 -0.08 -0.06 0.11 -0.03 -0.01 -0.18 -0.03 0.04 -0.08 -0.03 0.02 0.02 0.06 -0.12 0.01 -0.09 0.05 -0.11 -0.05 -0.01 -0.15 0.16 0.08 0.18 0.25 0.11 0.03 0.01 -0.00 0.00 -0.14 -0.02 0.00 0.09 0.10 0.08 -0.03 0.02 0.18 -0.02 0.04 -0.06 0.01 -0.05 -0.01 -0.09 0.05 0.11 -0.05 -0.01 -0.17 -0.10 0.06 -0.23 -0.01 0.10 -0.06 -0.22 -0.04 0.06 -0.22 -0.04 0.00 -0.16 -0.02 -0.08 0.00 0.00 0.04 -0.08 -0.01 -0.02 0.00 0.04 0.02 0.00 -0.02 0.03 0.03 0.05 0.08 -0.18 -0.03 0.00 -0.06 -0.20 -0.12 0.00 0.00 0.01 -0.00 -0.00 0.28 0.06 0.09 -0.09 -0.31 0.06 0.02 0.05 -0.03 -0.02 0.00 -0.04 0.03 -0.01 0.03 -0.11 -0.02 0.05 -0.11 0.01 0.05 0.04 0.08 0.01 0.02 0.03 0.11 -0.05 -0.05 -0.01 0.09 0.19 0.03 0.03 -0.02 -0.05 0.02 -0.05 0.02 -0.09 0.00 -0.00 -0.04 0.00 -0.00 -0.08 -0.02 -0.04 -0.10 0.01 -0.04 0.00 0.06 0.20 0.02 -0.04 -0.11 -0.05 0.05 0.01 -0.09 0.32 -0.06 0.29 -0.06 -0.09 -0.11 -0.12 -0.03 -0.11 0.13 0.02 -0.45 0.00 -0.00 0.00 0.13 0.03 -0.03 0.01 0.00 0.01 0.06 -0.10 -0.15 -0.13 0.07 0.01 0.06 0.00 -0.07 0.15 0.05 -0.03 0.00 0.07 0.00 0.06 0.11 -0.00 -0.14 -0.02 -0.19 0.01 -0.07 -0.06 0.10 -0.03 -0.04 -0.07 -0.12 -0.01 0.06 -0.10 0.15 -0.13 0.07 -0.14 -0.27 0.09 -0.33 -0.09 0.12 0.03 0.00 -0.00 0.04 -0.01 0.02 0.04 0.03 0.00 0.06 0.14 0.05 -0.01 0.07 0.01 0.04 -0.06 -0.12 0.00 0.06 -0.11 0.00 0.15 -0.06 0.34 -0.09 0.12 0.14 -0.27 0.09 0.03 -0.00 0.06 -0.04 -0.01 0.03 -0.03 0.03 0.00 0.07 0.07 -0.02 0.17 0.02 -0.07 0.01 0.13 -0.12 -0.00 0.13 -0.12 0.01 0.13 -0.11 -0.03 0.00 -0.00 -0.07 0.04 0.01 0.01 -0.02 -0.06 0.04 0.03 -0.01 -0.10 0.01 0.03 -0.11 -0.01 -0.05 0.04 -0.03 -0.03 -0.06 -0.00 0.00 0.01 -0.00 0.00 0.01 0.08 -0.02 0.05 -0.10 0.04 0.04 -0.01 0.00 0.00 0.02 0.06 0.04 -0.03 0.01 0.18 0.12 -0.13 -0.04 -0.13 0.02 -0.07 -0.04 -0.02 -0.07 0.02 -0.06 -0.05 -0.01 -0.02 -0.12 0.02 0.06 -0.10 -0.01 -0.03 0.03 0.01 0.00 0.17 0.00 -0.00 0.03 -0.00 -0.00 -0.05 0.12 -0.03 0.17 -0.12 0.13 0.05 0.02 0.03 -0.07 -0.02 0.06 -0.05 0.01 0.02 0.05 0.10 -0.04 0.02 -0.08 0.02 0.21 0.10 0.08 0.21 -0.11 -0.08 0.72 0.01 -0.00 -0.00 -0.07 0.03 -0.08 -0.06 0.10 -0.05 0.00 0.04 0.04 0.04 -0.03 0.03 0.02 0.07 -0.26 -0.23 -0.14 0.04 0.08 -0.05 -0.00 0.05 -0.09 0.00 0.13 -0.02 0.30 0.05 0.18 -0.12 0.12 -0.10 -0.07 0.01 -0.09 0.05 0.00 0.05 -0.04 0.04 -0.03 -0.05 -0.10 -0.01 -0.16 0.15 0.05 0.07 -0.06 0.10 -0.04 -0.05 -0.00 0.03 0.01 0.01 0.25 -0.23 -0.14 -0.04 0.00 0.06 0.08 0.00 -0.09 0.01 -0.12 0.09 0.00 0.04 0.04 0.16 0.17 0.04 0.07 -0.12 0.01 -0.04 0.08 -0.05 0.04 -0.05 -0.01 -0.03 0.01 0.01 0.13 0.12 -0.10 -0.30 0.05 0.17 0.03 0.01 0.05 0.00 0.00 0.03 0.05 -0.23 0.09 -0.04 0.00 -0.00 -0.04 -0.01 -0.02 0.02 0.03 -0.13 -0.10 -0.03 0.02 -0.09 0.33 0.22 0.04 0.02 0.06 -0.03 0.00 0.03 -0.02 -0.00 0.00 0.01 -0.00 0.00 0.03 -0.11 0.05 -0.06 0.06 -0.03 0.04 0.07 0.07 0.02 -0.03 0.12 -0.10 0.03 -0.02 0.01 0.21 -0.05 0.11 -0.01 -0.01 -0.04 0.01 0.01 0.17 -0.08 0.27 0.04 0.01 0.03 0.03 -0.01 -0.06 -0.09 -0.33 -0.22 0.04 -0.08 -0.07 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.10 0.00 0.01 0.00 -0.20 0.05 -0.03 -0.00 -0.03 0.16 0.09 -0.26 0.04 -0.01 -0.03 -0.06 -0.07 0.03 0.05 0.11 -0.06 0.08 -0.15 0.16 0.08 0.15 -0.17 0.26 0.01 -0.00 0.00 0.01 0.01 -0.04 0.01 -0.03 -0.04 -0.02 -0.07 -0.05 -0.04 -0.05 -0.15 -0.03 0.02 0.01 -0.02 -0.00 -0.03 0.03 0.05 -0.00 -0.01 0.07 0.00 -0.03 -0.01 0.07 -0.11 0.09 -0.12 0.19 -0.12 0.08 -0.04 0.01 0.04 -0.01 -0.06 0.04 -0.03 -0.05 -0.18 -0.20 0.19 0.38 0.02 -0.22 0.04 0.02 -0.02 0.03 0.08 0.07 0.02 0.00 0.02 -0.00 -0.01 0.00 0.14 -0.03 0.03 -0.09 -0.04 -0.00 0.00 0.07 -0.12 0.00 0.09 -0.03 -0.34 0.01 -0.20 0.14 -0.19 0.18 0.03 0.03 0.05 -0.03 0.07 0.07 -0.01 -0.00 0.02 0.13 0.21 -0.13 -0.08 -0.13 0.10 0.05 -0.04 -0.05 -0.05 -0.06 -0.06 0.01 0.26 -0.12 0.01 -0.00 -0.00 -0.04 0.00 -0.06 -0.02 -0.07 -0.10 -0.11 -0.07 -0.02 -0.09 0.04 -0.01 0.00 -0.10 -0.09 0.07 -0.06 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.15 0.16 -0.13 0.17 -0.18 0.12 -0.02 0.00 0.04 -0.03 0.07 0.10 -0.11 0.07 0.02 -0.20 -0.04 0.10 0.26 0.09 -0.14 -0.05 -0.00 0.07 -0.01 0.07 -0.00 0.06 0.05 0.03 0.00 0.10 0.08 -0.11 -0.03 0.01 -0.01 0.00 -0.04 0.06 -0.00 0.01 0.02 -0.00 0.00 0.29 -0.10 0.17 -0.21 0.06 -0.12 0.06 0.05 -0.00 -0.00 -0.08 -0.00 0.06 -0.05 -0.04 0.16 0.16 -0.11 -0.15 -0.15 0.12 -0.01 0.22 0.07 -0.01 -0.21 -0.07 0.35 -0.01 0.01 0.00 -0.05 0.01 0.01 0.02 0.08 -0.02 0.02 0.03 0.05 0.04 -0.02 0.08 -0.33 -0.16 -0.09 0.36 0.19 0.01 -0.03 -0.02 0.00 -0.03 -0.02 -0.00 0.02 0.03 0.06 -0.04 0.03 0.08 -0.15 0.10 -0.04 0.03 -0.10 0.02 0.02 0.03 -0.05 0.04 -0.02 -0.12 -0.09 0.01 0.07 0.24 -0.11 -0.01 0.02 0.08 -0.01 -0.07 -0.01 0.03 0.02 0.00 0.09 0.36 0.19 -0.08 -0.33 -0.16 0.04 0.03 -0.10 0.00 -0.05 0.02 0.00 0.07 -0.00 -0.07 0.24 -0.10 0.12 -0.09 0.01 -0.01 -0.03 -0.01 0.01 -0.07 -0.01 -0.03 0.02 0.00 -0.08 -0.14 0.10 -0.06 -0.04 0.03 -0.03 0.05 0.02 0.03 0.05 0.01 0.00 -0.07 0.02 -0.02 -0.02 0.00 -0.01 -0.01 0.10 0.02 0.01 0.07 0.09 0.08 -0.01 0.06 0.30 0.22 -0.10 -0.19 -0.08 -0.01 -0.02 -0.03 0.00 0.04 -0.06 0.01 0.08 -0.02 -0.25 0.15 -0.19 0.16 -0.17 0.12 -0.01 -0.03 -0.05 -0.00 0.01 0.04 -0.03 0.04 -0.01 -0.13 -0.19 0.11 0.16 0.13 -0.13 0.02 0.00 0.06 -0.04 -0.01 -0.03 -0.00 0.01 -0.01 0.05 0.00 0.04 0.00 0.21 0.16 0.01 -0.04 -0.02 -0.00 -0.05 0.06 0.00 -0.07 0.02 -0.18 0.09 -0.14 0.10 -0.17 0.11 -0.01 -0.02 -0.10 -0.00 0.05 0.01 -0.00 0.02 0.01 -0.08 -0.17 0.06 0.22 0.23 -0.22 -0.00 0.04 0.03 0.08 0.07 0.04 0.02 -0.11 0.06 -0.07 0.01 -0.00 0.02 -0.02 0.05 0.03 0.00 0.06 0.11 0.06 0.01 0.12 0.11 0.06 -0.09 -0.36 -0.22 -0.02 -0.00 0.14 0.01 -0.01 0.02 0.04 -0.02 0.00 0.00 -0.21 0.10 0.13 0.05 0.10 0.01 0.03 -0.05 0.03 -0.01 -0.08 0.14 -0.09 -0.01 -0.03 0.00 -0.03 -0.10 0.05 0.05 0.01 0.02 -0.09 -0.08 -0.13 -0.07 -0.02 -0.03 -0.04 -0.12 0.41 0.23 0.13 -0.24 -0.16 0.01 -0.01 0.07 -0.01 0.01 -0.01 0.01 0.02 -0.01 -0.01 -0.10 0.02 -0.08 0.09 -0.02 -0.02 0.01 -0.11 -0.09 0.12 0.07 -0.02 0.03 0.04 0.19 0.03 -0.15 -0.12 0.11 0.01 0.16 -0.09 -0.04 0.14 0.06 0.02 0.09 0.03 -0.01 -0.02 0.00 -0.00 -0.00 -0.03 -0.05 -0.03 0.05 0.04 -0.02 -0.01 -0.00 -0.07 0.02 0.02 0.09 -0.00 0.04 0.00 0.02 0.01 0.06 0.00 0.00 0.01 -0.00 -0.00 -0.13 0.10 -0.07 0.17 -0.04 0.09 -0.00 -0.01 -0.07 -0.03 -0.05 -0.04 -0.02 0.01 0.00 0.14 -0.04 -0.05 -0.15 0.01 0.06 -0.00 0.03 0.05 0.07 0.00 0.14 0.04 0.02 0.03 0.09 0.00 -0.04 -0.07 -0.02 -0.02 -0.00 0.01 0.07 -0.15 0.00 0.00 -0.01 -0.00 -0.00 -0.16 -0.01 -0.06 0.14 0.04 0.05 0.00 -0.02 -0.01 0.07 -0.00 -0.14 0.04 -0.02 -0.03 0.17 0.04 -0.09 -0.13 -0.10 0.07 -0.19 -0.17 -0.04 -0.19 0.17 0.04 -0.69 0.00 -0.00 0.18 0.00 -0.00 -0.01 -0.01 -0.01 -0.05 0.02 0.05 -0.11 -0.06 -0.02 -0.01 0.06 0.03 0.03 -0.13 -0.04 -0.00 -0.04 -0.01 0.09 0.00 0.00 -0.01 -0.00 0.00 0.03 -0.07 -0.00 -0.11 -0.05 -0.01 -0.09 -0.05 0.03 -0.05 -0.02 -0.05 -0.11 0.06 0.02 0.18 0.05 -0.10 0.05 0.05 -0.06 -0.01 0.01 0.01 0.06 0.03 -0.16 0.02 -0.00 0.01 0.03 0.13 0.04 -0.01 -0.06 -0.03 -0.09 0.05 -0.02 -0.13 0.00 0.00 -0.02 -0.00 -0.00 0.05 -0.05 0.06 0.18 -0.06 0.10 -0.00 0.04 0.01 0.06 -0.03 0.15 0.02 0.00 -0.01 -0.11 0.05 0.01 0.03 0.07 0.00 -0.33 0.07 -0.12 -0.33 -0.07 0.12 -0.60 -0.00 -0.00 -0.11 0.00 -0.00 0.01 0.16 -0.00 0.00 0.07 -0.02 0.09 0.07 0.02 -0.09 -0.04 -0.05 0.15 -0.17 -0.09 0.08 0.00 -0.01 -0.11 0.00 -0.00 0.00 -0.00 0.00 0.02 0.12 -0.01 -0.14 0.13 -0.15 -0.08 -0.06 -0.06 0.00 -0.06 0.03 0.09 -0.07 -0.02 0.10 -0.07 -0.08 0.09 0.22 -0.09 0.01 -0.16 0.00 0.05 -0.06 0.21 -0.11 -0.04 -0.04 0.15 0.17 0.09 -0.09 0.04 0.06 -0.08 0.06 0.06 0.06 -0.00 0.00 0.01 -0.00 0.00 0.09 -0.22 0.09 0.10 0.07 0.08 0.07 -0.00 0.01 0.05 0.05 -0.21 -0.11 0.05 0.04 -0.14 -0.13 0.15 0.02 -0.12 0.01 0.20 -0.16 0.08 0.20 0.16 -0.08 0.32 -0.00 0.00 -0.00 -0.17 0.08 0.00 -0.01 0.03 -0.05 -0.12 -0.02 -0.02 0.01 -0.06 0.05 -0.06 -0.03 -0.03 -0.07 -0.02 -0.17 0.03 -0.04 0.00 -0.02 -0.01 0.00 0.33 -0.03 -0.13 -0.12 -0.06 0.01 -0.02 0.02 0.04 0.05 -0.01 0.05 -0.12 -0.02 0.02 0.01 -0.06 -0.05 0.04 0.01 -0.09 -0.00 0.08 -0.00 -0.01 0.03 -0.04 0.19 0.17 -0.13 -0.07 -0.05 0.03 -0.06 -0.02 -0.05 -0.06 -0.03 -0.04 0.05 -0.01 -0.00 0.01 -0.19 0.00 0.25 -0.02 0.09 -0.01 0.08 0.05 0.04 0.01 0.17 0.03 -0.04 0.04 0.19 0.17 0.13 -0.07 -0.05 -0.01 -0.02 0.02 0.13 -0.12 -0.06 -0.02 -0.32 0.02 0.01 -0.32 0.02 -0.00 0.28 -0.19 0.00 -0.01 -0.06 -0.05 0.14 -0.02 0.01 0.13 0.10 0.18 0.11 0.02 -0.23 -0.05 -0.01 0.01 -0.03 -0.08 -0.08 -0.02 -0.00 0.00 0.08 -0.07 0.00 0.15 -0.04 0.03 -0.20 0.02 -0.02 -0.11 0.09 -0.03 -0.05 -0.01 -0.01 0.12 0.10 -0.18 0.11 0.02 0.03 -0.12 0.05 -0.10 -0.11 0.02 0.04 0.14 -0.02 -0.00 0.11 -0.03 0.11 0.06 0.01 -0.02 -0.03 -0.08 0.23 -0.05 -0.01 0.03 -0.06 -0.01 -0.00 -0.00 0.13 -0.00 -0.20 -0.03 0.10 -0.11 0.02 -0.03 -0.12 0.05 0.08 -0.03 -0.00 0.01 0.12 -0.02 -0.11 0.07 0.01 0.02 -0.11 0.08 -0.03 -0.21 0.02 -0.10 0.35 0.03 0.10 0.36 0.03 0.00 -0.11 0.13 -0.09 -0.00 -0.00 0.03 -0.04 0.02 0.00 -0.11 -0.02 -0.08 -0.07 -0.02 0.13 0.12 0.03 0.02 -0.05 0.01 0.02 -0.05 0.04 -0.14 0.00 -0.00 -0.02 0.00 -0.00 0.02 -0.07 0.03 -0.00 0.08 -0.09 -0.04 -0.06 -0.02 0.00 0.12 0.02 -0.09 0.08 0.02 0.10 -0.11 0.02 -0.05 -0.11 -0.04 0.03 0.05 -0.02 -0.11 0.45 0.14 0.08 0.06 0.06 0.01 0.05 -0.01 0.13 -0.12 -0.04 -0.04 0.06 0.02 0.13 0.00 0.00 0.01 -0.00 -0.00 -0.04 0.11 0.04 0.10 0.11 -0.01 0.03 0.05 -0.04 -0.11 -0.45 -0.13 0.07 -0.06 -0.06 -0.01 -0.08 0.10 0.02 0.06 -0.02 -0.02 0.31 -0.03 -0.02 -0.29 0.03 0.10 0.00 0.00 0.00 -0.14 -0.01 0.05 0.14 0.07 -0.08 0.06 0.02 0.01 0.05 -0.01 0.10 -0.09 -0.10 0.13 -0.21 -0.07 0.10 -0.03 -0.02 -0.00 -0.12 -0.02 -0.00 -0.15 0.06 0.03 0.13 -0.01 0.09 -0.05 -0.01 0.13 0.05 -0.04 0.08 0.06 0.02 -0.01 0.05 -0.01 -0.02 -0.07 0.10 -0.05 -0.21 0.01 -0.05 0.14 0.07 0.03 -0.09 0.03 0.18 0.14 0.13 -0.13 -0.21 -0.07 -0.10 -0.09 -0.10 -0.13 0.05 -0.04 0.00 -0.02 -0.09 0.00 0.38 -0.07 0.05 -0.21 0.01 0.02 -0.07 0.10 -0.10 -0.03 -0.02 -0.03 -0.09 0.03 -0.18 0.15 0.13 -0.08 -0.05 -0.02 -0.03 0.13 -0.02 0.02 0.09 0.00 -0.02 0.10 0.00 0.00 0.29 -0.10 0.11 0.00 -0.00 0.02 0.07 0.00 -0.03 0.04 0.00 0.01 0.01 -0.01 0.04 0.03 -0.03 0.13 0.01 0.05 -0.16 0.13 -0.04 -0.18 0.00 0.00 -0.08 0.00 -0.00 0.09 -0.04 0.13 0.38 0.02 0.11 -0.04 -0.01 0.04 -0.04 -0.04 -0.00 0.01 -0.01 0.01 -0.00 0.09 -0.06 0.09 0.08 -0.03 0.02 -0.07 -0.00 0.04 0.22 0.00 -0.28 -0.14 -0.11 0.13 -0.01 -0.05 0.04 -0.03 0.04 -0.04 0.01 -0.04 0.13 -0.00 -0.00 -0.03 -0.00 0.00 0.09 -0.07 0.03 -0.00 -0.08 0.06 -0.16 -0.13 0.05 0.04 -0.21 0.00 -0.27 0.14 0.11 0.38 -0.02 -0.11 0.09 0.04 -0.13 -0.07 -0.00 -0.02 -0.07 -0.00 0.02 0.18 -0.00 -0.00 0.01 0.12 0.07 -0.01 -0.04 -0.00 -0.02 0.14 0.05 -0.13 -0.07 0.01 0.06 0.04 -0.02 0.06 -0.10 0.03 -0.08 0.05 -0.02 0.00 0.28 -0.03 -0.00 0.10 -0.15 0.07 -0.12 0.04 -0.01 -0.12 0.17 0.09 0.03 -0.03 0.03 0.13 0.03 0.15 -0.08 0.01 0.01 -0.00 0.02 0.06 -0.06 -0.04 0.00 -0.04 0.00 -0.02 -0.25 -0.08 -0.04 -0.01 -0.12 -0.07 -0.10 0.04 -0.08 0.04 -0.03 -0.08 0.03 -0.03 -0.00 0.02 0.20 0.00 0.16 -0.04 -0.06 -0.07 -0.05 -0.03 -0.02 0.03 0.08 0.05 -0.02 0.02 -0.28 -0.08 0.03 -0.00 -0.13 0.01 -0.13 0.18 -0.07 -0.13 0.05 0.26 0.21 0.05 -0.26 0.23 0.07 -0.03 0.03 0.19 0.08 -0.00 -0.00 -0.02 0.05 -0.01 0.03 0.04 0.17 0.11 0.06 0.03 -0.13 0.02 0.05 -0.03 -0.01 -0.06 0.04 -0.03 0.02 0.04 -0.01 0.00 -0.00 -0.00 0.01 -0.04 0.05 -0.03 -0.04 0.06 -0.08 0.05 0.06 0.01 0.03 -0.05 -0.17 0.10 -0.05 -0.03 -0.16 0.11 -0.02 -0.05 0.06 0.10 -0.02 -0.05 0.01 0.03 0.25 -0.01 -0.03 -0.04 0.06 -0.03 0.02 0.06 -0.13 -0.02 -0.05 0.06 -0.06 -0.01 -0.07 -0.00 -0.01 0.02 -0.00 0.00 -0.05 -0.05 -0.10 -0.16 -0.11 0.02 0.03 0.03 -0.02 0.02 -0.23 0.02 -0.03 0.04 -0.05 -0.04 -0.05 0.07 -0.04 -0.04 0.03 -0.07 -0.15 -0.17 -0.05 0.14 0.16 -0.66 -0.00 -0.01 0.00 -0.03 0.01 -0.02 -0.11 -0.02 -0.14 0.01 0.06 0.16 0.09 -0.19 0.06 0.14 0.04 0.07 0.12 0.20 0.04 -0.02 0.02 -0.00 -0.07 0.02 0.00 0.06 0.11 0.00 -0.05 -0.03 -0.10 0.04 -0.04 -0.01 0.01 -0.02 0.14 0.01 0.07 -0.16 0.09 -0.19 0.17 -0.07 0.05 -0.04 -0.13 -0.06 0.02 -0.10 -0.02 -0.13 0.13 -0.09 0.13 0.02 -0.13 -0.07 0.12 0.19 -0.06 0.13 0.04 0.01 0.01 -0.02 0.00 -0.04 0.15 0.00 0.26 0.14 0.04 -0.13 -0.06 -0.17 -0.07 0.05 -0.03 -0.02 0.02 0.13 0.13 -0.09 -0.13 0.02 -0.14 0.11 0.04 -0.04 -0.00 -0.05 -0.03 0.26 0.04 0.08 -0.26 0.04 0.08 0.00 -0.10 0.15 -0.02 0.00 0.00 0.05 0.09 -0.01 0.15 -0.00 0.02 -0.08 -0.04 0.14 -0.19 -0.20 0.03 -0.12 0.01 -0.23 -0.06 0.07 -0.01 0.19 0.00 -0.00 -0.04 -0.00 -0.00 0.09 -0.18 0.01 -0.04 -0.07 0.15 -0.03 0.00 0.02 0.14 0.00 -0.03 -0.09 0.04 -0.13 0.06 -0.02 0.04 -0.01 -0.04 -0.03 0.05 -0.08 0.01 0.02 0.11 0.15 0.21 0.10 -0.26 -0.11 -0.00 0.22 -0.18 0.19 -0.03 -0.01 -0.01 -0.02 -0.04 -0.00 -0.01 -0.01 0.03 0.02 -0.01 0.03 -0.00 0.01 0.01 -0.04 -0.06 -0.06 0.01 0.02 -0.11 -0.14 0.23 -0.11 0.27 -0.04 0.07 -0.15 0.09 0.18 -0.00 0.18 -0.03 -0.01 0.20 0.03 -0.00 -0.02 -0.01 -0.00 0.00 0.03 0.03 0.00 0.04 0.00 0.05 0.03 -0.09 0.02 -0.02 0.11 -0.05 -0.05 -0.00 -0.06 -0.01 -0.07 -0.01 0.01 -0.01 -0.01 0.06 -0.01 0.00 -0.00 -0.05 -0.02 0.03 0.00 0.04 -0.01 0.01 -0.15 -0.04 -0.00 -0.07 0.03 -0.09 -0.01 -0.02 0.12 0.30 -0.04 -0.03 0.06 -0.07 -0.21 -0.01 0.05 0.00 0.05 -0.06 0.05 -0.13 -0.04 0.10 0.07 -0.01 -0.10 0.07 -0.07 0.00 0.15 -0.04 0.00 0.00 -0.05 -0.11 0.00 0.38 0.40 -0.06 -0.08 -0.21 -0.31 -0.04 -0.02 0.02 0.01 -0.01 -0.05 -0.05 0.07 0.10 -0.03 0.07 -0.03 -0.02 0.02 0.01 0.01 0.00 -0.24 0.03 -0.12 0.22 0.03 -0.12 0.00 -0.12 -0.11 -0.04 -0.01 -0.00 0.03 -0.09 -0.01 -0.00 -0.07 0.07 0.26 0.14 -0.27 -0.07 0.00 0.14 -0.11 0.18 0.01 -0.01 0.01 -0.01 -0.03 -0.01 -0.00 -0.01 0.03 0.02 0.03 -0.07 -0.00 -0.00 -0.05 0.04 -0.10 -0.08 -0.00 0.01 0.08 -0.08 0.31 -0.18 0.33 -0.00 0.03 -0.14 0.13 0.19 -0.08 0.04 0.10 0.01 -0.02 0.03 0.06 0.12 0.11 0.02 -0.16 -0.22 0.01 -0.11 0.02 -0.17 -0.08 0.07 -0.00 0.01 -0.01 0.00 -0.03 -0.00 0.02 0.11 -0.15 0.07 0.00 -0.02 0.11 -0.02 -0.01 0.01 -0.02 0.00 -0.04 0.06 -0.08 -0.03 0.03 0.04 -0.04 0.03 0.03 -0.02 -0.07 0.15 -0.11 -0.07 -0.12 0.10 -0.26 -0.03 0.00 0.01 -0.05 -0.02 -0.05 0.05 -0.00 -0.04 0.05 -0.06 -0.26 -0.16 0.26 0.17 0.09 -0.16 0.18 -0.16 0.09 0.04 -0.02 0.00 0.01 -0.05 -0.03 0.00 0.22 0.17 -0.00 -0.11 -0.08 -0.14 -0.02 0.01 -0.06 -0.05 -0.01 0.04 0.03 -0.04 0.18 -0.12 0.18 -0.01 0.04 -0.10 0.05 0.14 -0.03 0.04 0.03 -0.00 0.01 0.13 0.05 0.21 0.11 -0.04 -0.15 -0.10 0.10 -0.14 0.09 -0.12 0.08 -0.07 -0.01 -0.00 -0.08 0.02 0.00 -0.04 0.12 -0.09 0.18 -0.05 0.01 0.04 -0.14 -0.03 -0.01 -0.00 -0.00 0.13 0.06 -0.23 0.13 -0.03 0.14 -0.03 0.01 -0.01 -0.12 -0.08 -0.01 0.07 -0.05 0.03 0.10 -0.08 0.04 -0.21 0.02 -0.00 0.04 0.04 0.02 0.02 -0.02 -0.03 0.01 0.01 -0.05 -0.01 -0.02 -0.10 -0.10 0.01 -0.02 0.04 -0.08 0.13 -0.03 -0.01 0.00 0.12 -0.07 0.00 0.36 0.34 -0.07 -0.03 -0.19 -0.25 -0.01 -0.04 0.06 0.01 -0.02 0.03 0.01 0.02 0.05 -0.01 -0.02 -0.03 -0.00 0.00 -0.00 -0.02 0.03 -0.03 0.02 -0.02 -0.08 -0.05 -0.10 -0.20 -0.13 0.24 0.02 0.04 -0.08 0.10 -0.11 0.01 -0.06 0.01 -0.02 0.00 -0.05 0.17 0.00 0.05 -0.02 0.00 -0.02 0.03 0.03 -0.00 0.00 -0.13 -0.03 -0.01 0.08 -0.05 -0.10 0.20 -0.13 0.25 0.25 -0.01 -0.04 0.07 -0.03 -0.19 0.15 0.05 0.03 -0.15 0.06 0.03 0.00 -0.12 0.17 0.01 -0.00 0.00 0.08 -0.05 -0.01 0.35 0.01 0.07 -0.07 -0.07 0.09 -0.07 -0.01 0.14 -0.12 0.07 -0.13 -0.01 -0.03 -0.01 -0.12 0.00 -0.00 -0.02 0.00 0.00 -0.01 0.13 0.07 0.08 0.04 -0.10 -0.06 0.00 0.03 0.34 -0.01 -0.07 -0.07 0.07 -0.09 0.07 -0.06 0.08 0.00 -0.05 -0.06 0.08 0.05 0.01 0.02 -0.08 -0.02 -0.15 -0.08 0.14 -0.12 -0.07 0.12 -0.07 0.01 -0.14 -0.06 -0.00 -0.03 -0.09 0.00 -0.00 -0.04 -0.00 -0.00 0.00 0.05 0.06 0.07 0.06 -0.08 -0.02 0.03 0.01 0.02 0.07 0.02 -0.16 0.08 -0.14 0.09 -0.04 0.10 -0.01 -0.13 -0.07 0.37 0.02 -0.06 0.38 -0.02 0.06 0.11 0.00 -0.00 -0.00 0.04 -0.01 -0.04 0.05 -0.00 -0.19 -0.02 0.04 -0.09 -0.03 0.03 -0.01 -0.03 -0.08 0.07 -0.06 0.03 -0.07 -0.03 -0.00 -0.00 -0.10 0.04 -0.00 -0.12 -0.11 -0.03 0.11 0.10 0.15 0.04 -0.09 0.02 -0.04 -0.03 0.20 -0.02 0.04 0.09 -0.02 0.03 -0.01 -0.03 -0.06 0.00 0.06 0.03 0.04 0.05 -0.00 -0.12 0.15 -0.13 -0.15 -0.07 0.10 -0.08 -0.06 0.03 0.01 -0.03 -0.08 -0.02 -0.04 -0.03 -0.00 -0.03 0.31 -0.00 0.05 0.09 -0.00 0.06 0.03 0.01 -0.02 -0.06 0.07 -0.03 -0.00 0.12 0.15 -0.13 0.15 -0.07 0.09 -0.15 0.04 -0.09 0.03 0.11 0.10 0.34 0.05 0.05 -0.32 0.06 0.05 0.00 -0.24 0.31 -0.06 0.00 0.00 -0.01 -0.06 -0.01 0.18 0.23 -0.05 -0.08 -0.02 0.05 0.07 0.02 -0.03 -0.00 0.00 0.04 0.02 0.04 -0.01 0.24 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.05 -0.09 -0.07 -0.05 0.09 -0.00 -0.11 0.02 0.18 -0.23 0.05 -0.08 0.03 -0.05 -0.08 0.03 -0.13 0.01 0.13 0.13 -0.01 0.06 0.01 -0.08 0.06 0.01 -0.08 -0.02 0.09 -0.00 -0.00 -0.04 0.07 -0.02 0.03 -0.00 0.11 -0.02 0.14 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.13 -0.13 -0.08 -0.03 0.13 0.02 -0.04 0.01 -0.08 -0.06 -0.01 -0.08 0.02 -0.09 -0.07 0.05 -0.09 -0.01 0.05 0.09 0.21 -0.37 0.09 0.22 0.37 -0.09 0.27 0.00 -0.00 -0.00 -0.05 -0.13 0.04 -0.06 -0.02 0.01 0.14 0.06 -0.03 -0.09 -0.03 -0.01 0.00 0.05 -0.03 0.06 -0.02 0.02 -0.01 0.02 0.00 0.06 -0.20 -0.00 -0.06 -0.08 0.00 0.01 -0.01 0.01 0.01 0.00 0.05 0.00 -0.03 -0.00 0.14 0.06 0.02 -0.09 -0.03 0.00 0.02 -0.05 0.01 0.01 0.01 -0.04 -0.06 -0.02 0.24 0.12 0.26 -0.01 -0.02 0.04 0.03 0.06 -0.02 0.01 0.00 0.05 -0.05 0.00 -0.03 0.00 -0.08 0.28 0.00 0.10 0.02 -0.01 0.01 0.01 -0.00 0.02 -0.05 -0.02 -0.01 0.02 -0.24 0.12 0.26 0.01 -0.03 0.04 -0.01 0.01 0.00 -0.00 0.00 -0.01 0.13 0.37 0.03 -0.13 0.37 0.03 0.00 -0.23 0.28 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.03 0.05 -0.11 -0.15 -0.02 -0.01 -0.01 -0.08 -0.01 -0.04 -0.03 -0.05 -0.08 -0.12 0.01 -0.13 0.00 0.00 -0.09 0.00 0.00 0.04 0.17 0.25 0.17 0.06 -0.21 0.06 -0.12 -0.01 -0.03 -0.05 0.11 -0.15 0.02 0.01 -0.12 0.06 -0.19 -0.01 0.14 0.19 0.02 0.01 -0.00 -0.00 -0.06 -0.04 0.24 0.06 -0.09 -0.04 0.03 0.05 -0.01 0.08 0.00 0.06 0.12 0.01 -0.04 -0.00 -0.00 0.08 -0.00 -0.00 -0.01 -0.14 -0.19 -0.12 -0.06 0.19 -0.08 0.12 -0.01 -0.00 0.06 0.04 0.24 -0.06 0.09 0.17 -0.06 0.21 0.04 -0.17 -0.25 -0.07 -0.06 0.10 -0.07 0.05 -0.10 -0.25 -0.00 -0.00 0.00 -0.02 0.04 0.16 -0.00 0.00 0.03 -0.06 0.07 -0.04 -0.13 0.06 -0.17 -0.04 0.25 -0.10 0.08 -0.21 0.01 0.03 -0.00 -0.00 -0.11 0.12 -0.00 -0.12 -0.00 0.03 -0.09 -0.04 -0.01 -0.04 0.08 0.06 -0.09 -0.02 -0.03 -0.06 0.07 0.04 -0.13 0.06 -0.05 0.07 -0.16 0.05 0.11 0.10 -0.16 -0.00 0.00 -0.16 0.10 -0.16 0.13 0.17 -0.11 0.10 0.08 -0.21 0.17 -0.04 0.25 -0.06 -0.08 -0.02 -0.00 0.03 0.03 0.00 0.31 0.06 -0.05 0.11 0.09 0.05 0.06 -0.16 -0.01 0.03 -0.00 0.16 0.10 -0.16 -0.12 0.17 -0.11 0.01 -0.04 0.08 -0.03 -0.09 -0.04 0.04 0.02 0.07 -0.04 0.02 0.06 -0.00 0.11 0.03 -0.00 -0.06 0.05 0.06 -0.04 -0.03 0.20 0.18 0.06 -0.11 -0.07 0.12 -0.02 -0.01 0.06 -0.02 0.05 -0.05 -0.08 -0.11 -0.00 -0.00 -0.09 0.05 0.00 0.25 0.11 -0.02 0.13 0.15 0.08 0.05 -0.19 -0.01 0.09 -0.02 -0.20 0.18 0.06 0.11 -0.07 0.11 0.03 -0.00 0.08 -0.00 -0.06 -0.10 -0.06 -0.04 -0.03 -0.08 0.00 -0.06 0.10 -0.01 -0.04 0.02 0.05 -0.05 0.02 -0.01 0.06 0.01 0.09 -0.02 0.00 -0.06 0.03 0.00 -0.06 -0.08 0.00 -0.06 -0.10 -0.04 -0.00 0.08 0.07 -0.11 -0.00 0.08 0.00 -0.06 -0.10 -0.01 -0.04 -0.08 0.05 -0.19 0.02 0.13 0.15 -0.19 0.37 0.01 0.20 0.37 0.01 0.00 -0.06 0.03 0.00 0.12 -0.05 -0.00 0.02 0.01 -0.09 -0.04 -0.02 0.18 -0.02 -0.09 -0.01 0.06 0.02 0.01 0.03 0.03 -0.08 -0.07 -0.02 -0.00 -0.09 0.03 0.00 0.39 0.14 -0.03 0.10 0.11 0.05 0.03 -0.15 0.03 -0.13 0.02 0.09 -0.04 -0.02 -0.18 -0.02 -0.09 -0.04 0.04 -0.15 0.04 0.08 0.13 0.00 0.02 0.01 0.19 -0.26 0.05 0.12 0.01 0.02 -0.01 0.03 0.03 0.01 0.06 0.02 -0.03 -0.13 0.02 -0.00 0.18 -0.01 0.00 0.19 0.04 -0.04 0.08 0.13 0.04 0.04 -0.15 0.08 -0.07 -0.02 -0.19 -0.26 0.05 -0.12 0.01 0.02 -0.05 0.03 -0.15 0.03 0.09 0.11 0.14 -0.02 -0.01 -0.14 -0.02 -0.01 0.00 0.27 -0.02 -0.03 -0.00 -0.00 -0.04 -0.01 -0.00 -0.01 0.20 -0.02 0.12 0.06 0.01 0.01 0.01 -0.04 0.01 -0.03 0.04 -0.06 -0.06 -0.00 0.35 0.00 -0.00 -0.09 -0.00 -0.00 0.03 0.08 0.12 0.06 -0.00 -0.08 -0.04 0.07 0.01 -0.01 -0.20 0.05 0.11 -0.06 0.00 0.08 -0.02 0.09 0.03 -0.04 -0.12 -0.04 0.01 -0.00 -0.04 0.06 -0.01 0.09 -0.01 0.02 0.00 0.03 -0.04 0.01 -0.00 0.04 -0.04 -0.07 -0.01 0.08 0.02 -0.01 -0.14 0.01 -0.01 0.03 0.04 0.12 0.08 0.02 -0.09 -0.06 0.06 0.01 -0.04 -0.06 0.01 0.10 0.01 -0.02 0.06 0.00 0.08 0.03 -0.08 -0.12 -0.00 -0.48 0.11 -0.01 0.49 -0.08 0.21 0.03 -0.01 0.00 -0.06 -0.04 -0.02 -0.02 -0.04 -0.03 -0.01 0.28 0.02 -0.03 0.13 -0.02 0.03 -0.02 0.03 -0.00 0.01 0.03 -0.00 0.01 -0.01 0.05 -0.09 0.00 -0.03 -0.01 0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.04 -0.01 -0.01 0.03 0.00 0.28 -0.03 -0.03 0.13 0.01 -0.02 -0.01 -0.01 0.05 -0.02 0.02 -0.02 -0.04 -0.01 -0.02 -0.02 -0.06 -0.06 -0.00 -0.03 -0.01 0.02 0.01 0.03 -0.03 0.04 -0.01 -0.01 -0.00 0.30 -0.14 0.01 0.11 -0.14 0.00 0.05 -0.03 -0.02 -0.02 -0.00 -0.02 -0.01 0.01 0.01 -0.02 -0.02 0.05 -0.07 -0.00 0.01 0.01 -0.01 -0.00 0.01 -0.00 0.07 0.09 0.26 -0.07 0.06 0.27 -0.01 0.65 -0.14 0.01 -0.00 0.00 0.11 -0.02 0.02 -0.18 0.13 -0.17 -0.02 -0.13 -0.10 -0.07 -0.04 0.15 -0.04 0.06 -0.10 0.02 0.00 0.01 0.05 0.00 -0.00 0.05 -0.00 -0.00 -0.03 0.00 -0.03 -0.03 0.03 -0.01 0.02 0.02 -0.02 -0.19 -0.13 0.16 -0.02 0.13 0.10 -0.01 -0.04 0.02 -0.02 -0.00 -0.00 0.11 0.02 -0.02 -0.03 0.03 -0.03 -0.08 -0.13 -0.05 -0.04 -0.06 0.10 -0.07 0.04 -0.15 0.02 -0.02 0.02 0.06 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 -0.01 0.04 -0.02 0.02 -0.00 -0.01 -0.03 -0.03 0.03 -0.08 0.13 0.05 -0.03 -0.03 0.01 -0.03 -0.00 0.03 -0.36 -0.35 0.18 -0.36 0.35 -0.18 -0.14 -0.00 -0.00 -0.00 -0.07 0.10 -0.05 -0.01 -0.02 0.13 0.14 -0.08 0.14 0.02 0.03 0.01 0.04 -0.04 0.03 0.02 0.07 0.02 -0.04 0.03 0.00 0.41 -0.12 -0.00 -0.06 -0.16 0.00 0.06 0.04 0.00 0.01 -0.03 0.05 -0.08 0.02 -0.13 0.14 -0.09 -0.14 0.02 0.03 -0.07 0.06 -0.12 0.05 0.03 0.10 0.05 -0.01 -0.02 -0.14 0.07 -0.03 0.05 -0.08 0.08 -0.02 0.02 0.07 -0.01 0.04 -0.04 -0.05 -0.08 0.02 0.00 -0.18 -0.18 0.00 0.14 -0.03 -0.05 0.03 0.10 0.07 0.06 -0.12 -0.02 -0.04 0.03 0.15 0.07 -0.03 -0.05 -0.09 0.08 -0.00 0.01 -0.03 -0.00 0.06 0.04 -0.21 0.30 -0.14 0.21 0.29 -0.13 0.00 -0.05 -0.18 -0.03 0.00 -0.00 0.04 0.00 -0.00 -0.16 -0.15 0.24 -0.05 -0.06 0.08 -0.02 -0.00 0.04 0.00 -0.00 -0.04 -0.03 -0.00 -0.02 0.26 -0.00 0.00 -0.02 -0.00 0.00 -0.00 0.04 0.03 0.01 -0.00 -0.02 -0.01 -0.04 0.02 -0.16 0.15 -0.24 -0.05 0.06 -0.08 -0.02 0.01 -0.03 0.00 -0.02 0.03 0.04 -0.00 0.00 0.01 -0.09 0.08 -0.01 -0.07 0.09 0.00 0.00 0.04 -0.02 0.00 -0.04 -0.01 0.04 -0.02 0.32 -0.00 0.00 0.04 0.00 -0.00 0.00 0.02 -0.03 -0.02 -0.01 0.03 -0.03 0.00 0.02 0.01 0.09 -0.08 -0.01 0.07 -0.09 0.01 0.00 0.02 -0.00 -0.04 -0.03 -0.21 0.26 -0.28 -0.21 -0.25 0.28 0.36 0.00 0.00 -0.00 -0.01 0.02 0.06 -0.01 -0.00 -0.19 -0.13 -0.02 -0.12 -0.11 -0.14 -0.03 -0.02 0.06 0.01 0.05 -0.03 -0.01 -0.03 0.01 0.01 0.29 -0.19 -0.00 0.08 -0.19 -0.01 0.03 0.04 0.02 -0.02 -0.02 -0.06 0.03 0.02 0.19 -0.12 -0.02 0.12 -0.11 -0.14 0.04 0.01 0.05 -0.02 -0.01 -0.04 -0.06 -0.01 -0.00 -0.05 0.00 -0.00 0.18 0.07 0.18 -0.01 0.05 -0.03 0.03 -0.02 0.06 0.06 0.03 0.02 -0.00 0.10 -0.06 0.00 -0.13 0.03 0.02 -0.01 -0.04 -0.04 0.01 0.05 0.01 -0.03 0.02 0.05 0.00 -0.00 -0.18 0.07 0.17 -0.02 -0.02 -0.02 0.01 0.03 0.04 0.32 -0.28 0.04 -0.32 -0.30 0.04 -0.00 0.17 -0.06 -0.01 0.00 -0.00 0.01 0.04 0.04 0.05 -0.19 -0.15 -0.04 0.08 -0.09 0.02 -0.02 -0.00 -0.01 -0.02 -0.01 -0.03 0.01 -0.01 0.31 -0.00 -0.00 -0.04 -0.00 0.00 0.00 0.02 0.02 0.00 0.00 -0.01 0.03 0.00 -0.02 0.04 0.18 0.16 -0.05 -0.07 0.10 -0.00 0.01 -0.03 -0.00 0.02 0.01 0.01 -0.04 -0.04 -0.01 0.04 0.03 -0.06 -0.09 0.09 -0.02 0.02 0.01 0.02 0.03 0.00 0.03 -0.00 0.02 -0.22 -0.00 0.00 0.04 0.00 0.00 0.00 -0.02 -0.01 0.00 -0.01 0.03 -0.03 -0.01 0.01 -0.01 -0.04 -0.03 -0.06 0.09 -0.09 0.00 0.00 0.01 0.00 -0.02 -0.02 0.18 0.51 0.10 0.20 -0.53 -0.10 -0.07 -0.01 0.00 -0.00 -0.07 0.04 0.01 -0.02 0.00 -0.14 0.20 -0.10 0.04 -0.07 -0.03 -0.01 0.00 0.03 -0.01 0.01 0.00 -0.01 0.03 -0.02 0.01 -0.11 0.08 -0.00 -0.02 0.02 0.00 -0.01 -0.02 0.00 -0.01 0.02 -0.04 -0.02 0.03 0.15 0.21 -0.09 -0.04 -0.07 -0.03 0.01 0.03 -0.01 0.01 0.01 -0.01 -0.01 -0.02 0.00 -0.02 -0.02 0.00 -0.05 0.02 0.07 0.01 0.01 0.00 0.01 0.00 0.03 0.04 -0.02 0.03 -0.00 0.07 -0.04 0.00 -0.05 -0.12 -0.01 0.00 -0.01 -0.01 0.03 -0.01 0.01 0.03 -0.02 0.02 -0.02 0.00 0.04 0.02 0.06 -0.00 -0.01 0.02 -0.00 -0.01 -0.02 0.25 0.53 -0.15 -0.24 0.51 -0.15 -0.00 0.22 -0.04 -0.00 0.00 -0.00 -0.07 -0.06 -0.05 0.12 -0.08 0.07 0.05 -0.20 -0.13 0.00 0.05 -0.03 0.02 0.05 0.08 0.05 -0.11 0.07 0.26 -0.00 0.00 -0.07 0.00 -0.00 0.03 0.01 0.06 0.01 -0.00 -0.04 -0.02 -0.01 -0.00 0.12 0.08 -0.07 0.05 0.20 0.13 -0.03 -0.03 0.01 -0.04 -0.00 0.01 -0.07 0.06 0.05 0.02 -0.02 0.06 -0.27 0.03 -0.42 0.02 -0.05 -0.08 0.00 -0.05 0.03 -0.02 0.01 0.00 -0.00 0.00 0.00 0.17 0.00 -0.00 -0.04 0.00 -0.01 -0.03 0.03 -0.01 0.05 0.11 -0.07 0.02 0.02 -0.06 -0.27 -0.03 0.43 0.01 0.00 0.04 0.03 -0.01 -0.06 -0.02 0.17 -0.11 -0.02 -0.18 0.11 -0.17 0.00 0.00 0.00 0.03 -0.01 -0.07 -0.10 -0.08 0.21 -0.05 0.10 0.02 -0.01 0.00 -0.00 0.02 -0.05 0.01 0.03 0.06 -0.06 0.12 -0.07 -0.00 -0.29 0.11 -0.00 0.06 -0.18 -0.01 -0.03 -0.05 0.01 -0.01 0.07 0.02 0.01 -0.01 -0.21 -0.05 0.10 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.07 -0.10 -0.08 -0.00 -0.01 -0.07 0.17 0.05 0.44 -0.01 0.03 0.06 0.00 0.02 -0.06 -0.02 0.01 -0.01 -0.00 -0.04 0.04 -0.00 0.07 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.06 0.12 -0.06 0.00 -0.01 -0.07 -0.17 0.05 0.44 -0.01 -0.01 0.07 0.01 -0.03 -0.05 -0.21 -0.13 0.11 0.21 -0.13 0.11 -0.00 -0.10 0.04 -0.00 -0.00 0.00 -0.00 -0.09 -0.05 0.02 -0.03 0.08 -0.19 0.27 -0.03 0.02 -0.06 -0.03 -0.01 -0.01 -0.01 0.00 -0.02 0.01 -0.03 -0.00 0.00 0.33 -0.00 -0.00 -0.07 0.02 -0.03 -0.04 0.04 -0.04 0.04 0.02 -0.02 0.02 0.03 -0.08 -0.20 -0.27 0.03 0.04 0.04 -0.03 0.07 0.01 -0.03 -0.00 0.09 0.05 -0.00 0.04 0.02 0.02 -0.24 -0.20 -0.01 0.01 0.01 0.02 0.06 0.03 0.04 -0.02 0.02 0.05 0.00 0.00 -0.32 0.00 0.00 0.07 -0.01 0.03 0.04 -0.04 0.03 0.00 0.02 -0.01 -0.00 -0.04 -0.02 0.02 0.24 0.20 -0.04 -0.04 0.04 -0.07 -0.02 0.03 0.06 0.15 -0.10 0.06 -0.15 0.10 0.45 0.00 0.00 -0.00 -0.13 0.01 -0.03 0.03 0.02 0.16 0.06 -0.04 -0.03 -0.08 -0.14 0.02 0.01 -0.01 -0.01 -0.00 0.03 0.00 0.02 -0.01 0.00 0.04 0.06 -0.00 -0.05 0.05 0.01 0.01 -0.02 -0.01 0.00 0.00 0.06 -0.01 -0.04 -0.16 0.06 -0.04 0.03 -0.07 -0.14 0.01 -0.01 -0.02 -0.03 0.01 0.02 0.03 0.03 0.02 -0.03 -0.01 -0.02 0.01 -0.07 -0.00 0.01 -0.00 0.03 -0.02 0.01 -0.01 -0.06 -0.01 -0.04 0.00 0.43 0.08 0.00 -0.16 0.40 0.03 0.01 0.02 -0.01 -0.01 -0.02 -0.00 0.02 -0.01 0.03 -0.01 -0.02 -0.01 -0.07 -0.00 0.01 0.00 0.00 -0.01 0.01 -0.02 -0.10 0.08 -0.04 0.10 0.08 -0.04 0.00 0.63 0.08 0.00 0.07 -0.00 0.02 -0.04 -0.02 -0.15 0.12 0.17 -0.01 0.06 0.03 -0.01 -0.01 0.01 0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.06 -0.01 -0.00 0.02 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.08 0.01 -0.05 0.16 0.12 0.17 0.01 0.06 0.04 -0.03 0.00 -0.02 -0.02 0.01 0.02 -0.02 -0.04 -0.02 0.02 -0.01 0.00 -0.04 0.05 0.02 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.08 0.01 -0.05 -0.00 -0.19 -0.38 -0.00 -0.20 0.39 0.02 0.01 0.02 0.03 0.00 -0.02 0.01 -0.00 0.00 -0.02 -0.01 0.00 0.04 0.05 0.02 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.19 0.29 0.13 -0.19 0.29 0.13 0.00 -0.10 -0.38 0.01 0.00 0.00 0.03 -0.08 -0.05 -0.14 -0.08 -0.15 0.21 0.08 0.39 -0.02 0.02 0.02 0.01 0.03 -0.02 0.01 -0.02 0.01 0.05 -0.00 -0.00 0.04 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.03 -0.07 0.04 -0.14 0.08 0.15 0.21 -0.08 -0.39 -0.00 0.02 -0.02 0.02 -0.01 0.03 0.03 0.08 0.05 -0.01 0.04 -0.00 -0.07 0.00 -0.06 0.01 -0.03 0.02 -0.02 -0.02 -0.02 -0.03 0.07 -0.04 -0.19 -0.00 -0.00 -0.02 0.00 -0.00 0.02 0.01 -0.03 -0.00 -0.02 0.02 0.01 0.02 -0.01 -0.01 -0.04 0.00 -0.07 -0.00 0.06 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.16 0.15 0.18 0.15 -0.15 -0.18 0.48 -0.00 0.00 -0.00 -0.04 0.03 0.04 -0.06 -0.03 -0.13 -0.08 -0.23 0.17 0.11 0.37 -0.02 0.01 0.02 0.01 0.02 -0.02 0.06 -0.01 0.04 -0.00 -0.08 -0.03 -0.00 0.16 -0.31 -0.02 -0.01 -0.00 -0.01 0.02 0.02 0.07 0.05 -0.05 0.12 -0.08 -0.23 -0.17 0.11 0.37 -0.00 -0.03 0.01 -0.02 0.00 -0.01 -0.04 -0.06 -0.03 -0.01 -0.03 0.02 0.04 -0.03 -0.01 -0.01 0.02 -0.02 0.02 0.01 0.02 -0.07 0.05 -0.05 0.00 0.21 0.15 -0.00 -0.07 0.09 0.02 0.00 -0.01 0.00 -0.03 0.01 -0.06 -0.01 0.04 0.01 -0.03 0.02 -0.04 -0.03 -0.01 0.01 0.02 0.02 0.02 -0.01 -0.00 -0.01 -0.12 -0.24 0.00 -0.12 -0.24 -0.00 0.23 0.15 0.00 0.01 -0.02 -0.00 -0.01 -0.01 -0.10 -0.12 -0.05 0.23 -0.23 0.19 -0.02 0.04 0.01 0.02 0.02 0.01 -0.12 0.06 -0.09 0.00 0.26 -0.04 0.00 -0.32 0.54 0.04 0.02 0.00 0.01 -0.03 -0.02 0.04 0.09 -0.04 0.10 -0.12 -0.05 -0.23 -0.23 0.19 0.02 0.00 0.02 -0.01 0.00 -0.03 0.00 -0.01 -0.01 0.01 0.02 -0.00 0.10 -0.09 0.06 -0.02 0.02 0.01 0.02 0.04 0.01 -0.04 0.09 -0.04 -0.00 -0.06 0.02 0.00 -0.05 0.02 0.01 0.00 -0.03 -0.02 0.00 0.02 0.12 0.06 -0.09 -0.01 0.02 -0.00 -0.10 -0.09 0.06 -0.01 -0.03 -0.02 -0.04 0.02 0.00 0.01 -0.14 -0.06 -0.01 -0.14 -0.06 -0.00 -0.11 0.02 0.01 -0.00 0.00 -0.07 0.01 0.00 0.08 -0.01 -0.06 0.14 -0.14 -0.00 0.01 0.01 -0.02 -0.02 -0.03 0.02 -0.10 0.00 -0.05 -0.01 0.00 -0.01 0.61 -0.01 0.02 -0.05 0.03 -0.02 -0.01 0.01 -0.03 -0.06 -0.01 0.03 0.08 0.02 0.05 0.16 0.19 0.01 -0.01 -0.01 0.01 -0.04 0.00 0.00 -0.07 -0.02 -0.01 -0.03 0.00 0.03 0.13 -0.15 0.01 -0.02 0.03 -0.03 0.01 -0.01 0.02 -0.06 0.01 -0.03 0.02 0.01 0.00 0.30 0.00 0.00 -0.04 -0.00 0.00 -0.01 0.01 -0.01 -0.09 -0.01 0.05 -0.03 -0.00 -0.03 0.14 0.18 -0.00 -0.01 -0.02 0.03 -0.05 -0.03 0.02 -0.06 0.06 0.01 -0.06 -0.06 -0.02 -0.50 0.02 0.00 -0.00 -0.03 0.03 0.03 -0.11 -0.06 -0.00 0.02 -0.08 -0.21 0.44 0.06 0.01 -0.03 -0.01 -0.01 0.00 -0.02 -0.07 -0.01 -0.03 0.00 0.10 -0.26 -0.04 -0.18 0.35 0.02 0.00 0.03 0.02 -0.03 -0.01 -0.00 -0.07 0.02 -0.01 0.02 -0.09 0.19 0.42 0.06 -0.03 -0.03 -0.01 -0.00 0.00 0.03 -0.02 -0.11 -0.06 -0.01 -0.01 0.03 -0.04 0.21 0.07 0.01 -0.00 -0.01 -0.01 -0.03 -0.01 0.01 -0.07 0.02 -0.00 0.19 0.08 -0.02 0.04 0.01 0.01 0.00 0.03 0.03 -0.03 -0.01 0.09 -0.01 -0.04 0.02 -0.01 0.03 0.02 0.18 0.07 -0.02 -0.02 -0.01 -0.01 0.01 0.02 0.05 -0.06 -0.06 -0.04 -0.05 -0.05 0.03 0.26 0.08 -0.00 -0.09 -0.15 0.07 -0.01 0.00 -0.09 0.01 0.03 -0.15 0.23 0.03 -0.01 -0.00 0.01 0.02 0.03 -0.03 -0.01 0.05 -0.03 0.00 0.28 0.60 -0.00 0.04 -0.03 0.04 0.04 -0.04 -0.02 -0.02 -0.01 -0.02 -0.03 0.02 0.09 0.01 0.03 0.15 0.22 0.03 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.07 -0.01 0.00 0.07 -0.01 -0.01 0.17 -0.31 0.01 -0.02 0.03 -0.03 0.01 0.00 0.01 0.02 -0.03 0.02 0.00 -0.07 0.00 0.01 0.01 -0.01 0.01 0.01 -0.00 0.01 -0.01 -0.00 0.01 0.05 -0.03 -0.07 -0.01 -0.01 -0.17 -0.31 0.01 0.02 -0.02 -0.01 -0.04 0.04 -0.04 -0.03 0.13 -0.02 0.02 0.13 -0.02 -0.02 -0.19 -0.00 -0.01 0.00 0.00 0.01 -0.03 -0.02 0.01 0.01 -0.04 -0.07 0.17 0.03 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.02 0.00 0.01 -0.01 -0.00 -0.00 -0.09 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.05 0.04 0.01 0.01 -0.01 0.04 -0.07 -0.18 -0.03 0.01 0.01 0.02 -0.03 0.00 -0.02 0.01 0.03 0.02 -0.01 -0.01 -0.01 0.00 -0.03 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.05 -0.04 -0.01 0.12 0.00 -0.00 0.35 -0.00 0.00 -0.03 -0.00 0.02 0.01 -0.01 -0.02 0.02 -0.00 -0.01 -0.01 0.01 0.01 0.01 0.03 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.25 -0.06 0.01 -0.25 0.06 -0.00 -0.79 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.03 0.04 -0.02 0.01 -0.03 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.03 -0.03 -0.04 -0.02 -0.01 0.03 0.00 -0.01 -0.00 0.01 -0.01 0.01 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 -0.01 -0.01 -0.00 -0.00 -0.08 -0.00 0.00 0.10 -0.00 -0.00 0.01 0.01 -0.01 0.00 0.01 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 0.18 -0.04 0.00 0.18 0.04 -0.00 0.95 -0.00 0.00 -0.01 0.00 0.00 0.07 0.04 0.03 -0.03 0.02 -0.00 -0.10 0.13 0.01 -0.01 0.00 0.01 0.01 0.02 -0.02 -0.06 -0.06 -0.00 0.11 -0.00 -0.01 0.45 -0.00 -0.00 0.00 0.01 0.01 0.02 -0.02 -0.02 0.01 0.02 -0.01 -0.03 -0.02 0.00 -0.10 -0.13 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 0.06 -0.04 -0.03 -0.00 0.01 -0.02 -0.22 0.42 0.04 0.01 -0.02 0.02 -0.01 -0.00 -0.01 0.01 -0.02 0.01 0.06 -0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.06 0.06 0.00 0.00 -0.01 0.02 -0.23 -0.43 -0.04 0.02 0.02 0.02 0.00 -0.01 -0.01 -0.12 -0.15 0.02 -0.12 0.15 -0.02 -0.39 0.00 -0.00 -0.00 -0.10 -0.12 -0.06 -0.05 -0.04 0.01 -0.07 -0.00 0.08 -0.08 0.02 0.01 -0.00 -0.01 -0.01 -0.02 0.01 0.01 -0.07 0.03 0.00 0.32 0.46 0.01 0.09 -0.01 0.05 0.03 -0.01 0.01 -0.04 -0.02 0.01 0.02 -0.01 -0.01 -0.07 -0.00 -0.08 -0.09 0.02 0.00 -0.01 0.00 -0.01 0.00 -0.01 0.06 -0.05 -0.04 0.04 0.01 -0.02 -0.23 0.44 0.05 0.01 -0.02 0.01 -0.01 -0.00 -0.01 -0.01 0.02 -0.01 0.00 0.01 0.04 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.01 0.00 -0.01 -0.07 0.03 -0.04 0.01 -0.02 0.23 0.42 0.05 -0.01 -0.04 -0.02 -0.05 0.03 -0.01 -0.12 -0.16 -0.00 0.12 -0.15 -0.00 -0.00 -0.09 0.04 0.09 0.00 -0.00 0.02 0.01 -0.00 0.02 0.03 -0.01 0.00 0.01 0.00 -0.01 0.01 -0.01 -0.04 -0.02 0.04 -0.01 0.00 0.02 -0.02 -0.00 -0.00 -0.01 0.00 -0.00 0.03 0.02 -0.04 0.00 -0.03 -0.03 0.00 -0.01 -0.02 0.02 -0.03 0.01 0.00 -0.01 -0.00 0.00 0.05 0.05 -0.00 0.00 -0.00 0.02 -0.01 0.00 -0.14 -0.04 0.11 -0.00 0.01 0.00 -0.04 0.02 -0.04 -0.01 -0.01 0.01 0.00 0.01 0.02 -0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.05 -0.05 -0.01 -0.00 -0.02 -0.14 0.04 -0.11 -0.00 -0.01 -0.00 0.00 0.03 0.03 0.03 -0.02 0.03 -0.50 0.38 -0.19 -0.50 -0.37 0.19 0.21 -0.00 0.00 -0.00 0.07 -0.16 -0.02 -0.00 0.01 0.02 0.03 -0.01 0.00 -0.01 0.00 0.01 -0.01 0.02 0.06 0.03 -0.06 -0.04 -0.00 0.05 0.00 -0.07 0.00 0.00 0.00 -0.00 0.13 0.06 -0.13 0.00 -0.04 -0.04 -0.01 0.02 0.01 -0.02 0.03 -0.01 -0.00 -0.01 0.00 -0.00 -0.07 -0.06 0.03 -0.02 0.03 0.02 -0.00 0.01 -0.38 -0.11 0.29 0.00 -0.01 0.01 -0.05 0.03 -0.06 -0.01 -0.01 0.02 0.01 0.02 0.01 0.00 0.04 -0.01 -0.00 -0.00 0.00 -0.03 -0.02 0.03 0.00 -0.07 -0.06 0.04 -0.00 0.05 0.38 -0.11 0.29 -0.00 -0.01 0.01 -0.00 -0.04 -0.04 -0.13 0.06 -0.13 0.11 -0.21 0.07 -0.09 -0.20 0.07 -0.00 -0.48 -0.01 0.03 0.00 -0.00 -0.05 0.03 -0.04 -0.01 0.04 0.00 -0.00 0.01 0.00 0.12 -0.09 0.16 0.04 0.02 -0.04 0.09 0.06 -0.08 0.02 0.00 0.00 0.04 -0.00 0.00 -0.29 -0.13 0.32 -0.01 -0.10 -0.08 0.01 -0.04 -0.02 -0.01 -0.04 -0.00 -0.00 -0.01 -0.00 0.01 0.12 0.12 -0.04 0.02 -0.04 -0.05 -0.03 0.04 -0.04 -0.00 0.04 -0.02 0.04 -0.01 0.04 -0.02 0.04 0.13 0.09 -0.16 0.01 0.04 0.02 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.04 -0.02 0.04 0.01 -0.12 -0.12 0.09 -0.06 0.08 -0.04 0.00 -0.04 -0.02 -0.04 0.01 -0.01 0.10 0.08 -0.29 0.13 -0.31 0.05 0.39 -0.09 0.05 -0.39 0.09 -0.06 -0.00 -0.00 0.00 -0.01 0.07 -0.08 0.04 -0.06 -0.03 0.02 0.01 -0.00 0.01 0.01 0.21 -0.15 0.27 0.08 0.04 -0.07 -0.07 -0.05 0.05 0.00 -0.03 -0.03 0.00 0.01 -0.02 0.18 0.08 -0.20 0.01 0.09 0.07 -0.01 0.02 0.00 0.03 0.02 0.01 0.00 0.01 0.01 -0.00 -0.05 -0.05 0.03 -0.02 0.04 0.08 0.04 -0.06 0.13 0.03 -0.10 0.02 -0.04 -0.00 -0.07 0.04 -0.07 -0.21 -0.15 0.26 0.01 0.02 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 -0.02 0.04 0.00 -0.05 -0.05 0.07 -0.05 0.05 -0.13 0.03 -0.10 -0.02 -0.04 -0.00 -0.01 0.09 0.07 -0.19 0.08 -0.21 -0.34 -0.26 0.00 0.34 -0.27 0.01 0.00 -0.01 0.00 0.03 -0.00 0.00 0.07 -0.01 0.03 0.02 -0.04 -0.01 0.01 -0.01 0.00 -0.14 0.10 -0.18 -0.08 -0.05 0.08 0.04 0.04 -0.03 0.01 0.00 0.00 0.02 -0.00 -0.00 -0.14 -0.07 0.16 -0.00 -0.07 -0.06 -0.02 0.07 0.02 0.02 0.04 0.01 0.01 0.01 -0.00 -0.01 -0.17 -0.17 0.09 -0.05 0.10 0.07 0.01 -0.03 -0.04 -0.01 0.03 -0.00 -0.00 -0.01 -0.08 0.05 -0.08 -0.14 -0.10 0.18 -0.02 -0.07 -0.02 -0.01 0.00 0.00 -0.03 0.00 0.00 0.09 0.05 -0.10 -0.01 0.17 0.17 0.04 -0.04 0.03 -0.05 0.01 -0.03 -0.00 0.00 0.01 -0.00 0.07 0.06 -0.14 0.07 -0.16 -0.40 -0.33 0.01 -0.39 0.33 -0.01 0.13 -0.00 0.00 0.00 -0.01 -0.02 -0.06 0.01 -0.03 -0.02 0.04 0.01 -0.01 0.01 -0.00 0.12 -0.08 0.15 0.07 0.04 -0.07 0.07 0.05 -0.06 0.00 0.04 0.03 -0.00 -0.01 0.02 -0.21 -0.10 0.24 -0.01 -0.08 -0.06 -0.03 0.07 0.02 0.02 0.04 0.01 0.01 0.01 -0.00 -0.01 -0.17 -0.17 0.10 -0.06 0.12 0.06 0.01 -0.03 -0.02 0.00 0.02 -0.01 0.00 -0.01 -0.07 0.04 -0.07 -0.12 -0.08 0.15 0.03 0.07 0.02 0.00 0.03 -0.01 -0.00 -0.01 0.01 -0.10 -0.06 0.12 0.01 -0.17 -0.17 -0.07 0.05 -0.06 0.02 0.00 0.02 0.01 0.00 -0.01 0.01 -0.08 -0.06 0.22 -0.10 0.24 -0.23 -0.33 0.05 0.23 -0.33 0.05 -0.00 -0.29 -0.01 -0.05 0.00 -0.00 0.08 -0.04 0.07 -0.01 0.01 0.01 -0.01 -0.02 -0.02 -0.19 0.13 -0.24 -0.04 -0.02 0.04 0.01 0.00 -0.02 0.01 0.00 0.00 0.01 -0.00 0.00 -0.04 -0.02 0.05 -0.00 0.02 0.02 0.03 -0.09 -0.02 -0.01 -0.01 -0.01 -0.01 0.02 0.02 0.01 0.20 0.20 -0.13 0.07 -0.14 0.08 0.04 -0.07 0.08 0.02 -0.05 0.01 -0.02 -0.01 -0.04 0.02 -0.04 -0.19 -0.13 0.25 0.03 0.09 0.02 -0.00 0.00 -0.00 0.04 -0.00 0.00 -0.13 -0.07 0.14 0.01 -0.20 -0.20 0.01 -0.00 0.02 0.08 -0.02 0.05 0.01 0.02 0.01 -0.00 -0.02 -0.02 -0.04 0.02 -0.05 0.44 0.03 0.06 0.44 -0.03 -0.06 0.20 -0.00 0.00 -0.00 0.02 -0.04 -0.05 0.02 -0.04 -0.01 -0.03 0.00 0.01 0.00 0.01 0.11 -0.08 0.14 0.05 0.02 -0.04 0.02 0.02 -0.02 0.00 0.00 0.01 0.00 -0.01 0.01 -0.07 -0.03 0.08 -0.00 -0.04 -0.03 0.04 -0.08 -0.02 0.01 -0.03 0.00 -0.01 0.00 0.01 0.01 0.19 0.18 -0.12 0.07 -0.13 0.05 0.02 -0.04 -0.07 -0.02 0.06 0.00 -0.00 -0.00 -0.05 0.02 -0.04 -0.11 -0.08 0.14 -0.04 -0.08 -0.02 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.12 0.07 -0.13 -0.01 0.19 0.19 -0.02 0.02 -0.02 0.07 -0.02 0.06 -0.00 -0.00 -0.00 0.00 -0.04 -0.03 0.07 -0.03 0.08 -0.37 0.38 -0.16 0.37 0.38 -0.17 -0.00 0.01 0.01 -0.01 0.00 -0.00 0.02 0.02 -0.04 0.01 0.02 -0.01 0.01 -0.00 0.01 0.01 -0.01 0.02 -0.09 -0.05 0.10 0.02 -0.09 -0.10 0.01 0.00 0.00 -0.02 0.00 0.00 -0.04 -0.01 0.05 -0.01 0.26 0.24 -0.04 -0.00 -0.06 0.01 -0.02 0.01 0.01 0.00 -0.01 0.01 0.05 0.06 0.10 -0.05 0.12 0.03 -0.03 0.04 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.09 0.06 -0.10 0.01 0.01 -0.02 -0.04 0.00 0.06 -0.01 0.00 0.00 0.00 -0.00 0.00 0.10 0.05 -0.12 0.01 -0.05 -0.06 0.02 0.09 0.09 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.26 -0.24 -0.04 0.01 -0.05 -0.49 0.19 -0.14 -0.48 -0.19 0.13 0.11 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.03 0.05 -0.02 -0.02 0.01 -0.01 0.00 -0.01 -0.03 0.02 -0.04 0.09 0.05 -0.10 -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 0.04 0.04 -0.04 -0.01 -0.07 0.02 -0.02 0.01 0.01 0.00 -0.01 0.01 0.08 0.08 0.11 -0.05 0.13 0.02 -0.03 0.05 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.08 0.05 -0.09 0.03 0.02 -0.04 0.04 -0.01 -0.07 -0.00 0.03 -0.00 -0.00 -0.00 0.01 -0.11 -0.05 0.13 -0.01 0.08 0.09 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.04 0.04 -0.00 0.00 -0.00 -0.52 0.27 -0.16 0.52 0.27 -0.16 0.00 -0.32 -0.00 -0.05 -0.00 0.00 0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.01 -0.03 -0.02 0.03 -0.01 0.05 0.05 0.00 -0.00 -0.00 0.02 -0.00 -0.00 0.02 0.00 -0.03 0.00 -0.13 -0.12 -0.07 -0.01 -0.12 -0.01 0.01 -0.00 -0.00 0.01 0.01 0.02 0.12 0.13 0.19 -0.09 0.22 0.01 -0.01 0.01 0.07 0.02 -0.05 -0.00 -0.01 -0.01 -0.03 0.02 -0.03 -0.01 -0.00 0.00 -0.07 0.01 0.11 0.02 0.00 -0.00 0.01 -0.00 0.00 0.19 0.09 -0.22 0.02 -0.11 -0.13 -0.01 -0.05 -0.05 0.07 -0.02 0.05 -0.00 0.01 0.01 0.00 0.13 0.12 0.02 -0.00 0.03 0.43 -0.18 0.12 0.43 0.18 -0.12 -0.39 0.00 -0.00 0.00 0.00 -0.03 -0.03 -0.03 0.06 0.02 0.01 -0.01 0.00 -0.00 -0.00 -0.02 0.02 -0.04 0.12 0.08 -0.14 0.02 -0.11 -0.13 -0.00 0.02 0.03 0.00 0.00 0.01 -0.05 -0.01 0.07 -0.00 0.34 0.32 0.04 0.00 0.07 -0.02 0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.07 -0.08 -0.12 0.06 -0.14 0.03 -0.03 0.06 -0.05 -0.02 0.04 0.00 0.00 0.01 -0.12 0.08 -0.14 0.02 0.02 -0.04 -0.04 0.00 0.07 0.00 -0.02 0.00 0.00 0.00 -0.01 0.12 0.06 -0.14 0.01 -0.07 -0.08 -0.02 -0.11 -0.13 0.05 -0.02 0.04 -0.00 0.00 0.01 0.00 0.35 0.33 0.05 -0.01 0.07 0.27 -0.18 0.09 -0.25 -0.17 0.09 -0.01 0.19 0.01 0.04 0.00 -0.00 -0.07 -0.07 0.13 0.02 0.03 -0.01 0.00 0.01 -0.00 -0.06 0.05 -0.09 0.25 0.16 -0.29 0.01 -0.02 -0.03 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.02 -0.00 0.02 -0.00 0.06 0.06 -0.03 0.01 -0.04 0.02 -0.03 0.01 0.00 -0.01 0.00 0.00 0.02 0.02 0.09 -0.05 0.11 -0.07 0.07 -0.13 -0.07 -0.02 0.05 0.01 0.01 0.01 0.25 -0.16 0.29 -0.06 -0.05 0.10 -0.03 -0.01 0.04 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.09 0.04 -0.10 0.00 -0.02 -0.02 0.01 0.02 0.03 -0.07 0.02 -0.05 0.01 -0.01 -0.01 -0.00 -0.06 -0.06 -0.02 0.00 -0.02 -0.31 0.36 -0.15 -0.30 -0.35 0.15 0.02 -0.00 0.00 -0.00 0.01 -0.02 0.04 0.03 -0.06 -0.02 -0.02 0.01 -0.01 -0.01 -0.00 0.02 -0.02 0.04 -0.12 -0.08 0.14 0.00 -0.03 -0.04 0.00 0.01 0.01 0.00 0.00 0.00 -0.01 -0.00 0.02 -0.00 0.09 0.09 -0.01 0.01 -0.02 0.02 -0.02 0.01 0.01 -0.01 -0.00 0.00 0.01 0.01 0.05 -0.02 0.06 -0.04 0.03 -0.06 -0.05 -0.01 0.03 0.00 0.00 0.01 0.12 -0.08 0.14 -0.02 -0.02 0.04 0.01 0.01 -0.02 0.00 0.03 -0.00 0.00 0.00 0.00 -0.05 -0.02 0.06 -0.00 0.01 0.01 -0.00 -0.03 -0.04 0.05 -0.02 0.04 -0.00 0.00 0.01 0.00 0.09 0.09 0.01 -0.00 0.02 -0.48 0.29 -0.16 0.47 0.29 -0.16 0.00 -0.42 -0.00 0.04 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.01 -0.01 -0.00 -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 0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 0.02 -0.00 0.00 -0.00 -0.02 0.01 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.05 -0.01 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 -0.00 -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 -0.05 0.01 -0.03 0.00 -0.00 -0.00 -0.00 -0.02 -0.02 -0.00 -0.00 -0.00 0.64 -0.19 0.16 0.61 0.18 -0.16 -0.29 0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 0.01 -0.02 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.02 0.01 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.01 -0.01 0.01 0.01 0.02 0.02 -0.01 0.01 0.01 -0.00 -0.01 -0.00 -0.03 -0.03 -0.02 0.01 -0.03 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.01 -0.02 -0.01 0.01 0.02 0.00 0.02 0.00 -0.00 0.00 -0.00 0.03 0.01 -0.03 0.00 -0.03 -0.03 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.01 -0.60 0.24 -0.17 0.62 0.25 -0.17 -0.01 -0.25 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.05 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.01 -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 -0.00 0.01 0.00 -0.02 -0.05 -0.00 0.00 0.01 -0.00 -0.00 -0.02 -0.02 0.00 -0.00 0.00 0.01 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.02 -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 0.26 0.65 -0.11 0.24 -0.62 0.11 -0.17 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.02 -0.05 -0.00 -0.00 0.01 -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 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.04 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.01 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 -0.01 -0.00 0.01 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.01 -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 0.00 -0.00 0.24 0.60 -0.11 -0.25 0.63 -0.11 0.00 0.29 0.00 0.00 0.01 -0.01 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 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 -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 -0.04 0.02 -0.00 -0.01 0.00 -0.01 -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 -0.00 0.00 0.00 0.00 0.00 0.00 -0.27 -0.11 -0.02 0.27 -0.11 -0.02 0.00 0.91 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.03 -0.00 -0.00 -0.00 0.00 -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 0.00 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 0.00 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 0.09 -0.11 -0.48 0.16 0.19 0.83 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -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 -0.03 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 -0.00 -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 -0.16 0.19 0.83 0.09 0.11 0.48 -0.00 -0.00 -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 0.00 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 -0.00 -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 -0.00 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 0.03 0.01 0.01 0.03 -0.00 0.00 1.00 42 42 16 16 16 16 42 16 16 16 16 42 16 16 16 16 42 16 16 16 16 42 16 16 16 16 42 16 16 16 16 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 42 42 16 16 16 16 42 16 16 16 16 42 16 16 16 16 42 16 16 16 16 42 16 16 16 16 42 16 16 16 16 1 1 1 97.90550 97.90550 31.97207 31.97207 31.97207 31.97207 97.90550 31.97207 31.97207 31.97207 31.97207 97.90550 31.97207 31.97207 31.97207 31.97207 97.90550 31.97207 31.97207 31.97207 31.97207 97.90550 31.97207 31.97207 31.97207 31.97207 97.90550 31.97207 31.97207 31.97207 31.97207 1.00783 1.00783 1.00783 1455.69170 1.0 -1.1E-4 0.0 1.1E-4 1.0 2.4E-4 -0.0 -2.4E-4 1.0 asymmetric 1 0.00177 0.00175 0.00100 0.03697 0.03641 0.02086 183223.0 23.16 46.61 49.91 54.94 63.62 74.29 75.46 81.05 87.19 93.26 101.80 104.59 109.46 120.50 126.46 128.30 138.87 142.49 143.19 154.54 154.82 155.75 159.49 160.44 161.69 164.13 164.21 170.52 179.41 184.20 186.69 191.17 195.47 199.17 205.72 213.98 214.83 238.59 241.62 241.88 245.86 246.07 252.87 260.34 261.86 268.69 278.57 283.96 286.10 296.04 303.57 306.40 307.93 310.70 314.87 329.75 345.55 347.46 349.18 386.44 397.58 406.43 411.47 425.40 440.21 448.25 461.72 470.64 470.76 510.05 511.12 522.75 530.58 535.16 703.88 708.45 712.43 716.30 718.49 722.87 730.10 734.64 744.05 749.97 751.33 758.39 763.11 766.40 769.45 773.99 823.12 828.80 842.20 3827.35 3828.21 3872.00 0.069786 0.122607 0.123552 -0.022349 -10034.802080 -10034.749259 -10034.748315 -10034.894215 76.937 165.759 307.074 0.000 0.000 0.000 0.889 2.981 47.701 0.889 2.981 40.567 75.160 159.797 218.806 1 0.593 1.986 7.066 2 0.594 1.983 5.677 3 0.594 1.983 5.541 4 0.594 1.982 5.351 5 0.595 1.980 5.061 6 0.596 1.977 4.754 7 0.596 1.977 4.723 8 0.596 1.975 4.582 9 0.597 1.973 4.438 10 0.597 1.971 4.305 11 0.598 1.968 4.132 12 0.599 1.967 4.079 13 0.599 1.965 3.990 14 0.601 1.960 3.801 15 0.601 1.958 3.706 16 0.602 1.957 3.678 17 0.603 1.952 3.523 18 0.604 1.950 3.473 19 0.604 1.949 3.464 20 0.606 1.943 3.315 21 0.606 1.943 3.312 22 0.606 1.943 3.300 23 0.607 1.940 3.254 24 0.607 1.940 3.242 25 0.607 1.939 3.227 26 0.607 1.938 3.198 27 0.607 1.938 3.197 28 0.609 1.934 3.124 29 0.610 1.928 3.026 30 0.611 1.925 2.975 31 0.612 1.924 2.950 32 0.613 1.921 2.904 33 0.614 1.918 2.861 34 0.614 1.915 2.825 35 0.616 1.910 2.764 36 0.618 1.904 2.689 37 0.618 1.903 2.681 38 0.624 1.884 2.482 39 0.625 1.882 2.458 40 0.625 1.882 2.456 41 0.626 1.878 2.426 42 0.626 1.878 2.424 43 0.628 1.872 2.373 44 0.630 1.866 2.319 45 0.630 1.864 2.308 46 0.632 1.858 2.260 47 0.635 1.849 2.193 48 0.637 1.844 2.158 49 0.637 1.841 2.144 50 0.640 1.832 2.081 51 0.643 1.824 2.035 52 0.644 1.821 2.018 53 0.644 1.820 2.009 54 0.645 1.817 1.993 55 0.647 1.812 1.969 56 0.652 1.796 1.885 57 0.657 1.779 1.802 58 0.658 1.777 1.792 59 0.659 1.775 1.783 60 0.673 1.731 1.605 61 0.678 1.717 1.556 62 0.682 1.706 1.519 63 0.684 1.700 1.498 64 0.690 1.682 1.441 65 0.696 1.662 1.384 66 0.700 1.652 1.354 67 0.706 1.634 1.305 68 0.711 1.621 1.274 69 0.711 1.621 1.274 70 0.730 1.566 1.146 71 0.731 1.564 1.143 72 0.737 1.548 1.108 73 0.741 1.536 1.085 74 0.744 1.530 1.072 75 0.845 1.274 0.686 76 0.848 1.267 0.677 77 0.851 1.261 0.670 78 0.853 1.255 0.664 79 0.855 1.251 0.660 80 0.858 1.245 0.652 81 0.863 1.234 0.640 82 0.866 1.227 0.632 83 0.872 1.212 0.617 84 0.876 1.203 0.607 85 0.877 1.201 0.605 86 0.882 1.190 0.594 87 0.885 1.183 0.586 88 0.888 1.178 0.581 89 0.890 1.173 0.577 90 0.893 1.166 0.570 91 0.928 1.092 0.500 92 0.932 1.083 0.493 93 0.942 1.063 0.476 0.190452e+11 10.279786 23.670083 0.239366e+43 42.379062 97.581396 0.532735e-07 -7.273489 -16.747827 1 0.128717e+02 1.109637 2.555034 2 0.639027e+01 0.805519 1.854777 3 0.596692e+01 0.775750 1.786230 4 0.541916e+01 0.733932 1.689940 5 0.467762e+01 0.670025 1.542789 6 0.400322e+01 0.602409 1.387098 7 0.394073e+01 0.595576 1.371365 8 0.366708e+01 0.564320 1.299395 9 0.340739e+01 0.532421 1.225946 10 0.318388e+01 0.502957 1.158101 11 0.291449e+01 0.464563 1.069695 12 0.283610e+01 0.452722 1.042431 13 0.270849e+01 0.432727 0.996390 14 0.245751e+01 0.390496 0.899150 15 0.234009e+01 0.369233 0.850191 16 0.230597e+01 0.362854 0.835502 17 0.212769e+01 0.327907 0.755035 18 0.207268e+01 0.316532 0.728842 19 0.206236e+01 0.314364 0.723850 20 0.190780e+01 0.280532 0.645948 21 0.190431e+01 0.279738 0.644120 22 0.189270e+01 0.277081 0.638003 23 0.184729e+01 0.266536 0.613722 24 0.183611e+01 0.263899 0.607651 25 0.182151e+01 0.260432 0.599667 26 0.179381e+01 0.253777 0.584343 27 0.179292e+01 0.253561 0.583846 28 0.172484e+01 0.236749 0.545134 29 0.163703e+01 0.214056 0.492882 30 0.159313e+01 0.202251 0.465701 31 0.157121e+01 0.196235 0.451848 32 0.153323e+01 0.185608 0.427377 33 0.149829e+01 0.175597 0.404327 34 0.146951e+01 0.167172 0.384928 35 0.142093e+01 0.152572 0.351311 36 0.136392e+01 0.134789 0.310362 37 0.135825e+01 0.132980 0.306198 38 0.121688e+01 0.085246 0.196287 39 0.120084e+01 0.079486 0.183024 40 0.119947e+01 0.078988 0.181877 41 0.117901e+01 0.071516 0.164672 42 0.117793e+01 0.071118 0.163755 43 0.114447e+01 0.058603 0.134937 44 0.110965e+01 0.045186 0.104045 45 0.110280e+01 0.042495 0.097848 46 0.107295e+01 0.030579 0.070410 47 0.103233e+01 0.013817 0.031815 48 0.101131e+01 0.004883 0.011244 49 0.100319e+01 0.001385 0.003189 50 0.966930e+00 -0.014605 -0.033629 51 0.940974e+00 -0.026423 -0.060840 52 0.931545e+00 -0.030796 -0.070911 53 0.926511e+00 -0.033150 -0.076330 54 0.917531e+00 -0.037379 -0.086069 55 0.904281e+00 -0.043697 -0.100616 56 0.859690e+00 -0.065658 -0.151183 57 0.816358e+00 -0.088119 -0.202902 58 0.811393e+00 -0.090769 -0.209003 59 0.806956e+00 -0.093150 -0.214487 60 0.720058e+00 -0.142633 -0.328424 61 0.697108e+00 -0.156700 -0.360815 62 0.679725e+00 -0.167667 -0.386067 63 0.670133e+00 -0.173839 -0.400278 64 0.644772e+00 -0.190594 -0.438858 65 0.619468e+00 -0.207981 -0.478894 66 0.606402e+00 -0.217239 -0.500211 67 0.585464e+00 -0.232500 -0.535351 68 0.572207e+00 -0.242447 -0.558254 69 0.572037e+00 -0.242576 -0.558551 70 0.518916e+00 -0.284903 -0.656014 71 0.517574e+00 -0.286028 -0.658603 72 0.503352e+00 -0.298128 -0.686465 73 0.494101e+00 -0.306185 -0.705016 74 0.488808e+00 -0.310862 -0.715786 75 0.339150e+00 -0.469608 -1.081313 76 0.336025e+00 -0.473628 -1.090568 77 0.333336e+00 -0.477117 -1.098604 78 0.330750e+00 -0.480500 -1.106392 79 0.329298e+00 -0.482411 -1.110793 80 0.326420e+00 -0.486223 -1.119570 81 0.321740e+00 -0.492496 -1.134013 82 0.318843e+00 -0.496423 -1.143057 83 0.312945e+00 -0.504532 -1.161727 84 0.309307e+00 -0.509610 -1.173420 85 0.308479e+00 -0.510774 -1.176101 86 0.304227e+00 -0.516802 -1.189981 87 0.301423e+00 -0.520823 -1.199240 88 0.299489e+00 -0.523619 -1.205678 89 0.297711e+00 -0.526206 -1.211633 90 0.295086e+00 -0.530052 -1.220490 91 0.268462e+00 -0.571118 -1.315047 92 0.265577e+00 -0.575809 -1.325849 93 0.258926e+00 -0.586825 -1.351215 0.669555e+25 24.825786 57.163486 1 0.133814e+02 1.126503 2.593869 2 0.690981e+01 0.839466 1.932941 3 0.648783e+01 0.812099 1.869928 4 0.594217e+01 0.773945 1.782075 5 0.520426e+01 0.716359 1.649478 6 0.453432e+01 0.656512 1.511675 7 0.447232e+01 0.650533 1.497907 8 0.420101e+01 0.623354 1.435325 9 0.394388e+01 0.595923 1.372164 10 0.372290e+01 0.570882 1.314504 11 0.345707e+01 0.538708 1.240421 12 0.337984e+01 0.528896 1.217828 13 0.325425e+01 0.512451 1.179962 14 0.300786e+01 0.478258 1.101230 15 0.289291e+01 0.461336 1.062264 16 0.285955e+01 0.456298 1.050666 17 0.268564e+01 0.429049 0.987921 18 0.263213e+01 0.420308 0.967795 19 0.262210e+01 0.418650 0.963977 20 0.247223e+01 0.393089 0.905120 21 0.246886e+01 0.392496 0.903755 22 0.245763e+01 0.390516 0.899196 23 0.241376e+01 0.382695 0.881188 24 0.240297e+01 0.380749 0.876707 25 0.238889e+01 0.378196 0.870829 26 0.236219e+01 0.373315 0.859590 27 0.236133e+01 0.373157 0.859226 28 0.229585e+01 0.360943 0.831103 29 0.221168e+01 0.344723 0.793754 30 0.216975e+01 0.336410 0.774612 31 0.214885e+01 0.332206 0.764933 32 0.211270e+01 0.324838 0.747966 33 0.207952e+01 0.317963 0.732137 34 0.205224e+01 0.312229 0.718933 35 0.200633e+01 0.302403 0.696309 36 0.195268e+01 0.290631 0.669202 37 0.194736e+01 0.289446 0.666474 38 0.181559e+01 0.259019 0.596412 39 0.180078e+01 0.255460 0.588219 40 0.179951e+01 0.255154 0.587513 41 0.178065e+01 0.250578 0.576977 42 0.177965e+01 0.250335 0.576418 43 0.174892e+01 0.242770 0.558998 44 0.171710e+01 0.234795 0.540635 45 0.171085e+01 0.233212 0.536990 46 0.168373e+01 0.226273 0.521012 47 0.164704e+01 0.216704 0.498979 48 0.162816e+01 0.211697 0.487450 49 0.162089e+01 0.209754 0.482977 50 0.158856e+01 0.201002 0.462825 51 0.156557e+01 0.194671 0.448248 52 0.155725e+01 0.192358 0.442921 53 0.155282e+01 0.191120 0.440070 54 0.154492e+01 0.188907 0.434974 55 0.153331e+01 0.185629 0.427427 56 0.149452e+01 0.174501 0.401804 57 0.145731e+01 0.163552 0.376592 58 0.145308e+01 0.162289 0.373684 59 0.144930e+01 0.161159 0.371083 60 0.137663e+01 0.138818 0.319640 61 0.135788e+01 0.132862 0.305925 62 0.134382e+01 0.128340 0.295513 63 0.133611e+01 0.125842 0.289762 64 0.131592e+01 0.119231 0.274539 65 0.129608e+01 0.112631 0.259343 66 0.128595e+01 0.109225 0.251501 67 0.126991e+01 0.103774 0.238949 68 0.125988e+01 0.100330 0.231018 69 0.125975e+01 0.100286 0.230917 70 0.122061e+01 0.086576 0.199348 71 0.121964e+01 0.086232 0.198556 72 0.120948e+01 0.082599 0.190192 73 0.120295e+01 0.080247 0.184775 74 0.119924e+01 0.078905 0.181686 75 0.110417e+01 0.043036 0.099095 76 0.110242e+01 0.042348 0.097510 77 0.110093e+01 0.041758 0.096152 78 0.109950e+01 0.041194 0.094852 79 0.109870e+01 0.040878 0.094124 80 0.109712e+01 0.040253 0.092687 81 0.109457e+01 0.039244 0.090364 82 0.109301e+01 0.038624 0.088935 83 0.108986e+01 0.037371 0.086049 84 0.108794e+01 0.036604 0.084284 85 0.108750e+01 0.036430 0.083884 86 0.108528e+01 0.035542 0.081839 87 0.108383e+01 0.034961 0.080500 88 0.108283e+01 0.034561 0.079580 89 0.108192e+01 0.034195 0.078738 90 0.108058e+01 0.033658 0.077500 91 0.106751e+01 0.028373 0.065332 92 0.106615e+01 0.027820 0.064059 93 0.106307e+01 0.026560 0.061156 0.100000e+01 0.000000 0.000000 0.218302e+10 9.339058 21.503976 0.163764e+09 8.214217 18.913934 Checking optimization ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.0002 -0.1226 -0.4965 0.5114 -698.0406 -692.0858 -523.3801 0.0041 0.0033 1.8803 -60.2051 -54.2503 114.4554 0.0041 0.0033 1.8803 -0.0798 -40.4668 -3.4608 -0.0149 -27.3709 11.3848 0.0210 6.0636 16.9257 -0.0421 -30906.0490 -30200.3766 -4859.7123 0.3524 1.2864 -0.2641 -223.6516 0.0013 29.2330 -10133.4292 -5728.9487 -5622.4892 216.3283 -1.0482 0.0727 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -10034.8718664 0. 0. 0. 3.273E-9 8.828E-6 0.0697859 0.1226075 -44.761046,-40.3458956,85.1069417,0.0044452,-0.0077651,0.6566812 C01 [X(H3Mo7S24)] 0.0000029 0.0470924 0.1956273 1.3312408 0.0002088 -0.000045 0.0003843 1.0583366 0.052849 0.0005964 0.3795931 0.3830493 1.6204662 -0.1327601 0.016765 -0.1418401 1.7582062 -0.163576 -0.0329666 0.656001 1.020435 -0.4736233 0.0626039 0.0193911 0.1093568 -0.3074291 0.0208056 0.0288497 -0.0664278 -0.0926108 -0.4976704 -0.435138 0.1068539 -0.3441426 -0.9652178 -0.0644484 0.1044777 -0.0864907 -0.2693098 -0.7601368 -0.1879664 0.4091097 -0.3478926 -0.3833059 0.2147229 0.7643872 0.0745669 -0.5742647 -0.8552006 0.2357727 -0.4698564 0.4113624 -0.2915987 0.2382696 -0.845637 0.1370262 -0.6111258 1.737405 0.1293709 0.0577828 0.0931347 1.6557224 0.1149127 -0.6753186 -0.5524875 0.9603156 -0.3247486 -0.0000683 -0.0000058 -0.0000735 -0.8829662 -0.1126636 -0.0001347 -0.1176924 -0.2282948 -1.113045 -0.0000467 -0.0002426 0.0000313 -0.2460364 0.1351142 -0.0005582 0.2791922 -0.2710364 -0.6931834 0.372494 -0.3845278 0.2158281 -0.3996534 0.2464538 -0.4066083 0.6291565 -0.5468797 -0.157376 0.0028364 0.0485628 0.1738751 -0.9394771 -0.517387 0.3426889 -0.735321 -0.5897431 1.7035147 -0.1527876 -0.1604122 -0.049478 1.5902484 0.0841482 0.561022 -0.3159246 1.0899183 -0.4732927 -0.0623873 -0.0198009 -0.1093316 -0.3076009 0.0207475 -0.029251 -0.0667536 -0.0927168 -0.4979923 0.4348434 -0.1069081 0.3443447 -0.9646897 -0.0644823 -0.1044847 -0.0872492 -0.2692421 -0.2138006 0.0425029 -0.0228943 -0.1347092 -0.9170413 -0.4902817 -0.3226053 -0.7478375 -0.6117264 -0.675205 -0.4157118 0.412337 -0.2735657 -0.429018 0.2796522 0.5013502 0.6691929 -0.6392842 1.6210201 0.1324325 -0.0165113 0.1413552 1.7588752 -0.1638204 0.0330243 0.6560992 1.020757 -0.6735417 0.1107985 -0.1457301 0.1856281 -0.1509054 -0.0030389 -0.2955158 0.0118735 -0.2090333 -0.6593521 -0.6070415 0.0879143 -0.6575552 -1.2515227 -0.0511673 0.1012197 -0.0503248 -0.272694 -0.8548567 -0.2355404 0.4698198 -0.4109893 -0.2914865 0.2381284 0.8459117 0.1367786 -0.6114035 -0.7608606 0.1878367 -0.4093412 0.3483123 -0.3833383 0.2148846 -0.7651652 0.0746598 -0.5744177 1.703076 0.1526723 0.1607198 0.0494116 1.5909454 0.0840976 -0.5603779 -0.3160895 1.0893639 -0.0691828 -0.0000007 0.000258 -0.000148 -0.4598901 0.0558825 -0.0000345 0.0362178 -0.1082573 -1.4573728 0.0001553 0.000077 0.0001729 -0.2231406 0.1001612 0.0001545 0.1513429 -0.2864206 -0.6756197 0.416518 -0.4122413 0.2741679 -0.4295095 0.2797017 -0.501329 0.6689854 -0.6385028 -0.2137134 -0.0428573 0.0226219 0.1342237 -0.9170591 -0.4903669 0.3220832 -0.7478362 -0.6118528 1.7376398 -0.1288948 -0.0574051 -0.0933139 1.6552356 0.1153906 0.6755515 -0.5518211 0.9602169 -0.6728257 -0.1109969 0.1458355 -0.1860745 -0.1507445 -0.0030536 0.2953827 0.0116737 -0.2088988 -0.6590461 0.6065215 -0.0878873 0.6572456 -1.2512596 -0.0513811 -0.1008105 -0.0510026 -0.2730229 -0.1573234 -0.0029727 -0.0485391 -0.1742202 -0.9397417 -0.5175778 -0.3427341 -0.7353908 -0.5898639 -0.6937674 -0.3723112 0.3843882 -0.215456 -0.3990249 0.246174 0.4066869 0.6288358 -0.5462813 -0.057654 0.0058874 -0.0243198 -0.0070346 -0.0590608 -0.0376729 -0.0121529 -0.0111046 0.0650124 -0.0576123 -0.0059128 0.0243692 0.0069687 -0.0589996 -0.0378594 0.0122418 -0.0110484 0.0650539 -0.0563592 -0.0000607 -0.0001377 0.0000219 -0.0678522 0.0266811 0.0000559 0.049607 0.0727614 1013.5378528|-0.0271299|994.2042598|0.0440084|4.9726282|556.0022907 0.000020769 -0.000000805 -0.000012099 0.000002863 -0.000008525 -0.000017519 0.000004059 0.000006263 -0.000000885 0.000005945 0.000005476 -0.000006621 0.000007466 0.000003968 -0.000003870 -0.000000283 -0.000003613 0.000003404 0.000003282 0.000025279 0.000006736 -0.000002352 -0.000002671 0.000011339 -0.000006037 -0.000007739 0.000014983 -0.000002792 0.000003069 0.000009005 -0.000001073 -0.000005847 -0.000001670 0.000004968 -0.000000827 0.000031191 -0.000017548 0.000002783 -0.000020404 -0.000001268 0.000009823 -0.000005044 0.000000357 0.000002130 -0.000010240 -0.000007031 -0.000002748 -0.000010738 0.000004551 -0.000006474 0.000002938 -0.000007261 0.000002092 -0.000008082 0.000011002 -0.000013768 -0.000005588 0.000003501 -0.000000434 0.000003421 0.000000342 0.000000824 -0.000002978 -0.000008545 0.000000481 0.000015352 -0.000010338 0.000005199 0.000005886 -0.000007903 0.000007278 -0.000015888 0.000004745 -0.000008210 -0.000002538 0.000001925 0.000002124 -0.000010199 0.000017397 -0.000006810 0.000011093 -0.000019728 -0.000002619 0.000010595 -0.000008675 0.000006070 -0.000002730 -0.000002565 -0.000007792 0.000000076 -0.000002369 0.000008165 0.000006620 0.000011524 -0.000000997 0.000001933 -0.000001654 -0.000014405 0.000002089 0.000002726 0.000003258 0.000000432 1441.140000000001 AuxInfo=1/0/N:1;2;7;12;17;22;27;3;4;5;6;8;9;10;11;13;14;15;16;18;19;20;21;23;24;25;26;28;29;30;31;32;33;34/rA:34nMoMoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0MoS0S0S0S0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:0,.4536,-.6406;4.088,-.0597,.2034;1.7261,-.9483,1.0243;3.4787,-1.9862,-1.1526;5.267,.814,-1.3752;5.3744,-.9006,1.6905;-1.9403,3.4527,.1722;.0001,1.8869,1.2174;.0005,3.9797,-1.148;-3.3033,4.0376,-1.3933;-1.9046,4.9888,1.6599;-2.0501,-3.5073,.0839;-1.726,-.9481,1.0246;-3.4789,-1.9865,-1.1524;-1.9328,-4.9757,-1.4824;-3.3634,-4.1745,1.6413;-4.0883,-.0598,.2025;-1.7605,.9031,-1.8048;-3.3139,1.8665,1.3476;-5.3743,-.9003,1.6902;-5.2678,.8134,-1.3759;2.0508,-3.5078,.0832;-.0002,-2.006,-1.3181;.0006,-3.863,1.2967;3.3648,-4.1757,1.6397;1.9325,-4.976,-1.4831;1.9405,3.4527,.1729;1.7605,.903,-1.8049;3.3136,1.8661,1.3488;1.9048,4.9888,1.6606;3.3047,4.0369,-1.3918;-1.4784,-.6498,2.3209;1.4773,-.6491,2.3202;-.0021,-1.9964,-2.6677;