Gaussian 16 GINC-NODO01 NSF coments ES64L-G16RevC.02 19-Dec-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 45 45 80 81 423 (5D, 7F) def2SVP 129 129 C1[X(C14H23B2N4O2)] C1[X(C14H23B2N4O2)] UwB97XD def2SVP FOpt #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 277.7973999999999 0 2 AuxInfo=1/0/N:34,30,42,38,3,9,1,2,7,8,13,14,5,6,11,12;18,25,20,22,24,23/E:(1,3)(2,4)(5,6)(7,9)(8,10)(13,15)(14,16);/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.4;1.3,3.3,4.3,5.1/rA:45nC3C3C3HNNC3C3C3HNNBB4HHHC3HC3HC3OO1CHHHHCHHHCHHHCHHHCHHH/rB:;s1s2;s3;s1;s2s5;;;s7s8;s9;s7;s8s11;s5s11;s6s12;s14;s14;s13;;s18;s18;s20;s20;s22;s22;s23;s25;s25;s25;s18;s2;s30;s30;s30;s1;s34;s34;s34;s8;s38;s38;s38;s7;s42;s42;s42;/rC:.2298,2.8202,.2563;-1.9629,2.4308,.0822;-1.0128,3.4401,.2767;-1.2034,4.5066,.3523;.0168,1.4812,.0882;-1.3149,1.2559,-.0223;1.0736,-2.1209,.7103;-1.1226,-2.5134,.503;.1034,-3.1237,.74;.2642,-4.1658,1.0012;.4294,-.9359,.4252;-.9116,-1.1836,.3081;.9701,.3766,.2119;-1.8153,-.164,-.4463;-2.9691,-.2978,-.1164;-1.651,-.2807,-1.6591;2.1361,.5915,.2551;.7223,-2.3018,-2.6586;-.2532,-2.7339,-2.8926;.976,-1.0149,-2.9009;.2305,-.3534,-3.3457;2.2593,-.3446,-2.5794;3.125,-1.1433,-1.9512;2.5004,.809,-2.8507;4.3454,-.5606,-1.5309;4.157,.2949,-.8654;4.8835,-1.3436,-.9847;4.9321,-.2159,-2.3952;1.4761,-2.9478,-2.2038;-3.4866,2.6054,-.057;-3.8046,2.2213,-1.0037;-3.98,2.0719,.7283;-3.7339,3.6445,.0075;1.625,3.4565,.3981;2.0697,3.1396,1.3183;2.2419,3.1494,-.4205;1.5329,4.5225,.395;-2.5085,-3.1849,.4956;-3.1358,-2.7163,1.2249;-2.9498,-3.0815,-.4737;-2.4029,-4.2235,.7304;2.5754,-2.2648,1.0192;3.1463,-1.9162,.1841;2.8187,-1.6845,1.8847;2.8047,-3.2936,1.2035; /usr/local/CompChem/Gaussian/g16/g16 Output=51_COOMe_a.log chk=51_COOMe_a.chk Mem=12000MB NProc=12 #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 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=43,7=101,11=2,24=110,25=1,30=1,71=1,74=-58/1,2,3 4//1 5/5=2,8=3,13=1,38=5/2,8 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=43,7=101,11=2,25=1,30=1,71=1,74=-58/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,38=5/2,8 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 coments 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 12 12 12 1 14 14 12 12 12 1 14 14 11 11 1 1 1 12 1 12 1 12 16 16 12 1 1 1 1 12 1 1 1 12 1 1 1 12 1 1 1 12 1 1 1 12.0000000 12.0000000 12.0000000 1.0078250 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 1.0078250 14.0030740 14.0030740 11.0093053 11.0093053 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 1 2 2 0 0 0 1 2 2 3 3 1 1 1 0 1 0 1 0 0 0 0 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 -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/CompChem/Gaussian/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 1 1 2 2 2 3 5 5 6 7 7 7 8 8 8 9 11 11 12 13 14 14 18 18 18 20 20 22 22 23 23 25 25 25 27 30 30 30 34 34 34 38 38 38 42 42 42 3 5 34 3 6 30 4 6 13 14 9 11 42 9 12 38 10 12 13 14 17 15 16 19 20 29 21 22 23 24 25 43 26 27 28 43 31 32 33 35 36 37 39 40 41 43 44 45 1.3887 1.3662 1.54 1.3997 1.3459 1.54 1.0861 1.3551 1.4643 1.564 1.3956 1.3786 1.54 1.3899 1.3605 1.54 1.0864 1.3686 1.4355 1.5574 1.1864 1.2075 1.2295 1.0923 1.3338 1.0919 1.0915 1.4831 1.3349 1.2093 1.4163 2.271 1.1001 1.0959 1.1 2.1706 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 5 3 3 6 1 1 2 1 1 6 2 2 5 9 9 11 9 9 12 7 7 8 7 7 12 8 8 11 5 5 11 6 6 6 12 12 15 19 19 20 18 18 21 20 20 23 22 22 25 23 23 23 26 26 27 25 2 2 2 31 31 32 1 1 1 35 35 36 8 8 8 39 39 40 7 7 7 43 43 44 23 23 27 1 1 1 2 2 2 3 3 3 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 18 18 18 20 20 20 22 22 22 23 23 23 25 25 25 25 25 25 27 30 30 30 30 30 30 34 34 34 34 34 34 38 38 38 38 38 38 42 42 42 42 42 42 43 43 43 5 34 34 6 30 30 2 4 4 6 13 13 5 14 14 11 42 42 12 38 38 8 10 10 12 13 13 11 14 14 11 17 17 12 15 16 15 16 16 20 29 29 21 22 22 23 24 24 25 43 43 26 27 28 27 28 28 43 31 32 33 32 33 33 35 36 37 36 37 37 39 40 41 40 41 41 43 44 45 44 45 45 27 42 42 107.4473 128.6708 123.8812 108.2701 127.0442 124.6329 106.4637 126.6158 126.7701 109.0396 128.8611 121.4129 108.7593 131.2654 119.179 107.2877 127.3409 125.2744 108.469 127.0972 124.411 107.1028 126.2614 126.3592 108.6617 129.8399 121.4548 108.4584 128.2654 119.4406 117.196 120.4172 122.0316 106.1038 109.4094 108.1078 110.4652 109.7604 112.7488 120.8379 118.1462 121.0057 121.9289 124.1457 113.9167 113.1227 123.7117 123.1648 116.8915 130.7079 81.5408 110.6036 106.0818 110.8144 109.7668 108.8418 110.7158 93.6685 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 53.9464 147.1132 158.9395 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 5 5 34 34 3 3 34 34 3 3 3 5 5 5 6 6 30 30 3 3 30 30 3 3 3 6 6 6 1 1 13 13 1 1 6 6 2 2 2 5 5 5 11 11 42 42 9 9 42 42 9 9 9 11 11 11 12 12 38 38 9 9 38 38 9 9 9 12 12 12 7 7 13 13 7 7 12 12 8 8 8 11 11 11 19 19 29 29 18 18 21 21 20 20 24 24 22 22 22 43 43 43 22 22 25 25 23 26 28 25 25 7 7 44 44 45 45 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 5 5 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 12 12 12 12 12 12 18 18 18 18 20 20 20 20 22 22 22 22 23 23 23 23 23 23 23 23 23 23 25 25 25 27 27 42 42 42 42 42 42 3 3 3 3 5 5 5 5 34 34 34 34 34 34 3 3 3 3 6 6 6 6 30 30 30 30 30 30 6 6 6 6 13 13 13 13 14 14 14 14 14 14 9 9 9 9 11 11 11 11 42 42 42 42 42 42 9 9 9 9 12 12 12 12 38 38 38 38 38 38 12 12 12 12 13 13 13 13 14 14 14 14 14 14 20 20 20 20 22 22 22 22 23 23 23 23 25 25 25 25 25 25 43 43 43 43 27 27 27 43 43 43 43 43 43 43 43 2 4 2 4 6 13 6 13 35 36 37 35 36 37 1 4 1 4 5 14 5 14 31 32 33 31 32 33 2 14 2 14 11 17 11 17 12 15 16 12 15 16 8 10 8 10 12 13 12 13 43 44 45 43 44 45 7 10 7 10 11 14 11 14 39 40 41 39 40 41 8 14 8 14 5 17 5 17 6 15 16 6 15 16 21 22 21 22 23 24 23 24 25 43 25 43 26 27 28 26 27 28 27 42 27 42 43 43 43 23 42 23 27 23 27 23 27 -1.4391 -177.2054 178.8659 3.0996 1.1881 -169.2688 -179.0987 10.4443 112.6227 -127.3773 -7.3773 -67.0269 52.9732 172.9732 1.1843 176.9421 -176.2525 -0.4947 -0.4712 -169.8966 177.0424 7.6171 120.5736 -119.4264 0.5736 -56.468 63.532 -176.468 -0.4475 170.4621 170.8522 -18.2381 159.7599 -13.5366 -9.6586 177.0449 -150.7991 -31.6181 91.514 40.6807 159.8617 -77.0062 -1.4621 -175.7094 175.0813 0.834 1.2679 -176.312 -175.366 7.0541 124.0245 -115.9755 4.0245 -60.0191 59.9809 179.9809 1.128 175.368 -177.1826 -2.9425 -0.3532 157.0537 178.0134 -24.5797 121.4262 -118.5738 1.4262 -56.6313 63.3687 -176.6313 -0.5758 -160.3103 177.246 17.5115 -172.6231 0.5574 10.0649 -176.7546 164.3514 45.8661 -79.068 -40.3858 -158.8711 76.1949 -0.5651 178.2949 -179.3861 -0.5261 -3.3767 176.94 175.5649 -4.1185 -176.1328 -73.4973 3.5526 106.188 57.3113 176.2845 -63.4879 -74.2866 44.6865 164.9141 -143.3357 36.3618 -24.9584 154.7391 -46.8222 72.7003 -167.1138 32.7179 -146.825 -5.6248 173.6946 -125.6248 53.6946 114.3752 -66.3054 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 445 A 423 A 711 445 1880.3810097734 45 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 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 Berny optimization. local minimum Step number 46 out of a maximum of 260 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00037 0.00059 0.00084 0.00208 0.00239 0.00252 0.00267 0.00316 0.00582 0.00658 0.00780 0.00946 0.01212 0.01390 0.01398 0.01455 0.01519 0.01545 0.01682 0.01856 0.02093 0.02122 0.02162 0.02517 0.02801 0.03030 0.03075 0.03260 0.03835 0.04099 0.04428 0.04622 0.04985 0.05652 0.06331 0.06879 0.06971 0.06991 0.07006 0.07033 0.07052 0.07233 0.07309 0.08786 0.08887 0.09456 0.09916 0.10410 0.10905 0.11383 0.11816 0.13782 0.15448 0.15824 0.15910 0.15990 0.15991 0.16001 0.16003 0.16009 0.16028 0.16053 0.16060 0.16092 0.16203 0.16345 0.16894 0.21476 0.22383 0.22750 0.22775 0.23378 0.23992 0.24030 0.24155 0.24208 0.24656 0.25118 0.25427 0.25768 0.26050 0.26093 0.26260 0.26688 0.27206 0.28581 0.28601 0.29141 0.29322 0.29843 0.31355 0.33260 0.33685 0.33713 0.34577 0.34596 0.34804 0.35242 0.35288 0.35668 0.36287 0.37111 0.37175 0.37215 0.37230 0.37230 0.37234 0.37245 0.37261 0.37289 0.37485 0.37777 0.38062 0.39320 0.40408 0.40661 0.42992 0.44074 0.45093 0.47995 0.49367 0.50786 0.51245 0.52247 0.55243 0.58874 0.59035 0.73620 1.00905 -3.49396615e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 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 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 2.63162 2.56992 2.81089 2.63596 2.54208 2.81508 2.05297 2.56465 2.75868 2.94276 2.63663 2.57422 2.80975 2.63171 2.54960 2.81481 2.05330 2.56747 2.73937 2.93973 2.25537 2.30693 2.33049 2.06402 2.52623 2.06363 2.06378 2.79758 2.54108 2.28387 2.67241 4.86196 2.08070 2.07138 2.07757 5.96499 2.07976 2.07897 2.07342 2.08202 2.07964 2.07334 2.07925 2.08053 2.07369 2.08170 2.08335 2.07366 1.87567 2.27856 2.12895 1.88933 2.26631 2.12729 1.85856 2.21052 2.21410 1.90259 2.24538 2.13456 1.89862 2.22130 2.14083 1.87653 2.28603 2.12059 1.88984 2.26854 2.12439 1.85915 2.21039 2.21364 1.90017 2.24222 2.14038 1.89885 2.21670 2.14156 2.03049 2.12108 2.12633 1.87070 1.91098 1.90814 1.91448 1.91336 1.94468 2.10470 2.05920 2.11919 2.12105 2.17620 1.98592 1.97727 2.16726 2.13854 2.02505 1.97895 1.80221 1.93078 1.85693 1.93999 1.91885 1.89349 1.92392 1.44375 1.93719 1.93900 1.92024 1.87114 1.89635 1.89853 1.94227 1.92315 1.91624 1.88927 1.89418 1.89784 1.94017 1.93845 1.92081 1.86923 1.89763 1.89604 1.92860 1.94452 1.91994 1.87597 1.90035 1.89321 0.69195 2.73291 2.78079 -0.00454 -3.14069 3.14013 0.00398 0.00118 -3.10135 3.14001 0.03749 2.11095 -2.07637 0.01351 -1.02718 1.06868 -3.12463 0.00630 -3.14075 -3.11087 0.02527 -0.00568 -2.92370 3.11382 0.19580 2.07496 -2.12799 -0.02456 -1.03931 1.04092 -3.13883 0.00282 2.93328 3.10832 -0.24441 3.03313 0.00001 -0.06476 -3.09788 -2.92331 -0.84777 1.28721 0.47027 2.54582 -1.60239 0.01699 -3.12858 -3.13330 0.00431 -0.02145 -3.13222 3.12784 0.01707 2.13110 -2.06783 0.03231 -1.02022 1.06403 -3.11901 -0.00639 3.13919 3.10392 -0.03368 -0.00672 2.89441 -3.12014 -0.21900 2.14102 -2.06275 0.03758 -1.03549 1.04393 -3.13893 0.01768 -2.89594 3.13062 0.21699 -3.09753 -0.06475 0.07871 3.11148 2.95634 0.88306 -1.25756 -0.45648 -2.52976 1.61281 -0.01739 3.12955 3.13950 0.00326 -0.10405 3.02142 3.04252 -0.11520 -3.09988 -1.01786 0.05754 2.13956 1.11013 -3.08947 -0.99464 -1.06579 1.01780 3.11262 -2.66604 0.03202 -0.46040 2.23766 -0.74857 1.34277 -2.85378 0.59738 -2.04004 0.40679 2.66071 -1.71842 0.53551 2.51728 -1.51199 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 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 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 -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 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00001 -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 -0.00002 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00002 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00002 -0.00000 -0.00000 0.00002 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00002 0.00002 -0.00000 0.00001 0.00056 -0.00001 0.00000 0.00001 -0.00041 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00002 -0.00001 0.00001 0.00002 -0.00000 -0.00002 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00002 -0.00002 0.00000 0.00002 0.00001 -0.00004 0.00008 0.00001 -0.00002 0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00005 0.00007 -0.00001 0.00003 -0.00002 0.00003 -0.00001 0.00002 0.00001 -0.00000 -0.00004 -0.00002 -0.00003 0.00005 -0.00004 0.00001 0.00003 -0.00002 0.00001 0.00001 -0.00003 0.00003 -0.00010 0.00002 0.00001 -0.00000 0.00002 -0.00000 -0.00004 0.00034 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00002 0.00002 0.00001 -0.00002 0.00001 -0.00001 0.00002 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00002 0.00002 -0.00000 0.00002 -0.00006 0.00000 0.00005 -0.00041 0.00009 0.00004 0.00000 0.00011 0.00007 -0.00003 -0.00023 -0.00009 -0.00029 0.00001 -0.00001 -0.00000 0.00009 0.00007 0.00007 -0.00004 0.00000 -0.00006 -0.00002 0.00002 -0.00024 0.00004 -0.00022 0.00025 0.00025 0.00025 0.00023 0.00023 0.00022 0.00000 0.00023 0.00019 0.00042 0.00008 -0.00002 -0.00014 -0.00024 -0.00023 -0.00021 -0.00025 -0.00051 -0.00049 -0.00053 -0.00005 0.00008 0.00006 0.00019 -0.00001 0.00015 -0.00012 0.00005 -0.00063 -0.00058 -0.00056 -0.00050 -0.00045 -0.00044 0.00010 -0.00003 0.00009 -0.00004 -0.00011 0.00002 -0.00010 0.00004 -0.00022 -0.00021 -0.00021 -0.00024 -0.00023 -0.00023 0.00008 -0.00003 -0.00007 -0.00018 -0.00016 -0.00006 0.00002 0.00012 0.00025 0.00024 0.00029 0.00039 0.00039 0.00043 0.00001 -0.00006 0.00004 -0.00003 0.00001 -0.00003 -0.00006 -0.00010 -0.00005 -0.00019 -0.00001 -0.00015 -0.00055 -0.00050 -0.00055 -0.00048 -0.00044 -0.00048 0.00023 -0.00018 0.00013 -0.00027 0.00010 0.00014 0.00012 -0.00019 0.00093 0.00064 -0.00077 0.00059 -0.00082 0.00061 -0.00080 -0.00000 0.00001 0.00002 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 -0.00001 0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00018 0.00000 -0.00000 -0.00000 -0.00010 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00001 0.00002 -0.00001 -0.00002 -0.00001 0.00002 -0.00004 -0.00001 -0.00001 0.00002 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00002 -0.00002 -0.00000 -0.00001 0.00000 -0.00002 0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00002 0.00002 -0.00005 0.00003 -0.00003 0.00000 0.00000 0.00001 -0.00001 0.00001 0.00010 0.00008 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00005 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00005 -0.00007 -0.00001 0.00002 -0.00005 -0.00002 0.00002 0.00014 0.00006 0.00018 -0.00007 -0.00006 -0.00006 -0.00011 -0.00010 -0.00010 0.00000 -0.00003 0.00003 -0.00000 0.00001 0.00018 -0.00001 0.00015 -0.00014 -0.00015 -0.00014 -0.00011 -0.00011 -0.00011 -0.00002 -0.00017 -0.00013 -0.00028 -0.00006 0.00010 0.00007 0.00023 0.00011 0.00010 0.00012 0.00029 0.00029 0.00031 0.00005 -0.00002 0.00004 -0.00003 0.00003 0.00003 0.00004 0.00004 0.00007 0.00006 0.00005 0.00005 0.00004 0.00003 -0.00011 -0.00004 -0.00005 0.00002 0.00013 0.00010 0.00007 0.00004 -0.00002 -0.00003 -0.00002 0.00005 0.00005 0.00005 -0.00010 -0.00007 -0.00010 -0.00007 0.00011 -0.00005 0.00011 -0.00005 -0.00008 -0.00007 -0.00009 -0.00012 -0.00011 -0.00012 0.00000 0.00003 -0.00003 0.00000 -0.00003 0.00000 -0.00001 0.00003 0.00003 0.00024 -0.00000 0.00020 0.00008 0.00007 0.00008 -0.00012 -0.00013 -0.00012 -0.00009 -0.00038 0.00004 -0.00025 0.00012 0.00011 0.00012 -0.00007 0.00023 0.00003 -0.00052 0.00003 -0.00051 0.00003 -0.00052 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00002 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00002 0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00002 -0.00000 0.00001 0.00038 -0.00001 0.00000 0.00001 -0.00051 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00002 0.00004 0.00000 -0.00003 0.00003 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00003 0.00005 -0.00001 0.00002 -0.00002 0.00001 -0.00001 0.00002 0.00001 -0.00001 -0.00003 0.00000 -0.00001 0.00001 -0.00001 -0.00002 0.00003 -0.00002 0.00002 -0.00000 -0.00003 0.00013 -0.00002 0.00001 0.00000 -0.00000 0.00002 -0.00000 -0.00003 0.00039 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00003 0.00001 -0.00001 0.00001 -0.00004 0.00000 0.00006 -0.00046 0.00002 0.00002 0.00002 0.00006 0.00005 -0.00000 -0.00008 -0.00003 -0.00011 -0.00006 -0.00007 -0.00007 -0.00003 -0.00003 -0.00003 -0.00004 -0.00003 -0.00003 -0.00002 0.00004 -0.00006 0.00003 -0.00007 0.00011 0.00011 0.00010 0.00012 0.00012 0.00011 -0.00002 0.00006 0.00005 0.00013 0.00001 0.00008 -0.00008 -0.00001 -0.00012 -0.00011 -0.00013 -0.00022 -0.00021 -0.00023 -0.00000 0.00006 0.00010 0.00016 0.00001 0.00017 -0.00007 0.00009 -0.00056 -0.00052 -0.00052 -0.00045 -0.00041 -0.00040 -0.00001 -0.00007 0.00004 -0.00002 0.00002 0.00012 -0.00003 0.00008 -0.00025 -0.00024 -0.00023 -0.00019 -0.00019 -0.00018 -0.00002 -0.00010 -0.00017 -0.00025 -0.00004 -0.00011 0.00014 0.00007 0.00017 0.00017 0.00020 0.00027 0.00027 0.00031 0.00001 -0.00003 0.00002 -0.00003 -0.00003 -0.00003 -0.00007 -0.00007 -0.00001 0.00005 -0.00001 0.00005 -0.00047 -0.00044 -0.00047 -0.00060 -0.00057 -0.00061 0.00013 -0.00056 0.00017 -0.00053 0.00022 0.00025 0.00024 -0.00026 0.00116 0.00066 -0.00129 0.00063 -0.00133 0.00064 -0.00132 2.63162 2.56992 2.81089 2.63596 2.54209 2.81508 2.05297 2.56465 2.75867 2.94276 2.63664 2.57420 2.80975 2.63171 2.54959 2.81481 2.05330 2.56746 2.73939 2.93974 2.25536 2.30694 2.33049 2.06403 2.52623 2.06363 2.06379 2.79757 2.54110 2.28387 2.67242 4.86234 2.08069 2.07138 2.07757 5.96448 2.07976 2.07897 2.07342 2.08202 2.07964 2.07334 2.07925 2.08053 2.07369 2.08171 2.08334 2.07367 1.87567 2.27857 2.12895 1.88933 2.26631 2.12729 1.85856 2.21051 2.21410 1.90259 2.24537 2.13456 1.89861 2.22128 2.14087 1.87653 2.28600 2.12062 1.88984 2.26854 2.12439 1.85914 2.21039 2.21365 1.90017 2.24221 2.14038 1.89885 2.21667 2.14161 2.03048 2.12110 2.12631 1.87071 1.91097 1.90816 1.91448 1.91335 1.94465 2.10471 2.05919 2.11919 2.12103 2.17618 1.98596 1.97725 2.16728 2.13854 2.02502 1.97907 1.80220 1.93079 1.85693 1.93999 1.91887 1.89349 1.92389 1.44414 1.93719 1.93900 1.92024 1.87114 1.89635 1.89853 1.94226 1.92316 1.91625 1.88926 1.89418 1.89783 1.94018 1.93845 1.92081 1.86923 1.89762 1.89604 1.92863 1.94453 1.91993 1.87599 1.90030 1.89321 0.69201 2.73245 2.78081 -0.00452 -3.14067 3.14019 0.00403 0.00117 -3.10143 3.13998 0.03738 2.11089 -2.07644 0.01344 -1.02721 1.06865 -3.12466 0.00626 -3.14078 -3.11089 0.02525 -0.00565 -2.92376 3.11385 0.19574 2.07507 -2.12788 -0.02446 -1.03919 1.04104 -3.13872 0.00280 2.93334 3.10837 -0.24428 3.03315 0.00008 -0.06483 -3.09790 -2.92343 -0.84787 1.28708 0.47006 2.54561 -1.60262 0.01699 -3.12853 -3.13320 0.00447 -0.02144 -3.13204 3.12776 0.01716 2.13054 -2.06835 0.03180 -1.02066 1.06363 -3.11941 -0.00640 3.13912 3.10396 -0.03370 -0.00670 2.89453 -3.12017 -0.21893 2.14077 -2.06299 0.03734 -1.03568 1.04374 -3.13911 0.01766 -2.89605 3.13045 0.21673 -3.09757 -0.06486 0.07884 3.11156 2.95651 0.88322 -1.25736 -0.45620 -2.52949 1.61311 -0.01737 3.12952 3.13952 0.00323 -0.10408 3.02139 3.04245 -0.11527 -3.09989 -1.01781 0.05752 2.13960 1.10967 -3.08990 -0.99511 -1.06639 1.01722 3.11201 -2.66590 0.03146 -0.46023 2.23713 -0.74835 1.34302 -2.85354 0.59712 -2.03888 0.40745 2.65942 -1.71779 0.53417 2.51792 -1.51330 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000010 0.000002 0.001489 0.000328 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.746483e-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 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 1 1 2 2 2 3 5 5 6 7 7 7 8 8 8 9 11 11 12 13 14 14 18 18 18 20 20 22 22 23 23 25 25 25 27 30 30 30 34 34 34 38 38 38 42 42 42 3 5 34 3 6 30 4 6 13 14 9 11 42 9 12 38 10 12 13 14 17 15 16 19 20 29 21 22 23 24 25 43 26 27 28 43 31 32 33 35 36 37 39 40 41 43 44 45 1.3926 1.3599 1.4875 1.3949 1.3452 1.4897 1.0864 1.3572 1.4598 1.5572 1.3952 1.3622 1.4869 1.3926 1.3492 1.4895 1.0866 1.3586 1.4496 1.5556 1.1935 1.2208 1.2332 1.0922 1.3368 1.092 1.0921 1.4804 1.3447 1.2086 1.4142 2.5728 1.1011 1.0961 1.0994 3.1565 1.1006 1.1001 1.0972 1.1018 1.1005 1.0972 1.1003 1.101 1.0974 1.1016 1.1025 1.0973 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 3 5 3 3 6 1 1 2 1 1 6 2 2 5 9 9 11 9 9 12 7 7 8 7 7 12 8 8 11 5 5 11 6 6 6 12 12 15 19 19 20 18 18 21 20 20 23 22 22 25 23 23 23 26 26 27 25 2 2 2 31 31 32 1 1 1 35 35 36 8 8 8 39 39 40 7 7 7 43 43 44 23 23 27 1 1 1 2 2 2 3 3 3 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 18 18 18 20 20 20 22 22 22 23 23 23 25 25 25 25 25 25 27 30 30 30 30 30 30 34 34 34 34 34 34 38 38 38 38 38 38 42 42 42 42 42 42 43 43 43 5 34 34 6 30 30 2 4 4 6 13 13 5 14 14 11 42 42 12 38 38 8 10 10 12 13 13 11 14 14 11 17 17 12 15 16 15 16 16 20 29 29 21 22 22 23 24 24 25 43 43 26 27 28 27 28 28 43 31 32 33 32 33 33 35 36 37 36 37 37 39 40 41 40 41 41 43 44 45 44 45 45 27 42 42 107.4679 130.5517 121.9801 108.2505 129.85 121.8849 106.4875 126.6533 126.8583 109.0102 128.6506 122.301 108.7827 127.2712 122.6606 107.5173 130.98 121.5009 108.2798 129.9777 121.7185 106.5212 126.646 126.8324 108.8715 128.4698 122.6347 108.7963 127.0077 122.7024 116.3382 121.529 121.8295 107.1834 109.491 109.3283 109.6915 109.6275 111.422 120.5905 117.9834 121.4205 121.5271 124.6871 113.7851 113.289 124.1749 122.5294 116.0268 113.3853 103.2591 110.6253 106.3943 111.1533 109.9422 108.4892 110.2325 82.7206 110.9925 111.0965 110.0217 107.2086 108.6528 108.778 111.2839 110.1884 109.7924 108.2469 108.5284 108.7381 111.1638 111.0649 110.0544 107.0988 108.726 108.635 110.5006 111.413 110.0043 107.4854 108.8818 108.4731 39.6458 156.584 159.3275 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 5 5 34 34 3 3 34 34 3 3 3 5 5 5 6 6 30 30 3 3 30 30 3 3 3 6 6 6 1 1 13 13 1 1 6 6 2 2 2 5 5 5 11 11 42 42 9 9 42 42 9 9 9 11 11 11 12 12 38 38 9 9 38 38 9 9 9 12 12 12 7 7 13 13 7 7 12 12 8 8 8 11 11 11 19 19 29 29 18 18 21 21 20 20 24 24 22 22 22 43 43 43 22 22 25 25 23 26 28 25 25 7 7 44 44 45 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 5 5 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 12 12 12 12 12 12 18 18 18 18 20 20 20 20 22 22 22 22 23 23 23 23 23 23 23 23 23 23 25 25 25 27 27 42 42 42 42 42 3 3 3 3 5 5 5 5 34 34 34 34 34 34 3 3 3 3 6 6 6 6 30 30 30 30 30 30 6 6 6 6 13 13 13 13 14 14 14 14 14 14 9 9 9 9 11 11 11 11 42 42 42 42 42 42 9 9 9 9 12 12 12 12 38 38 38 38 38 38 12 12 12 12 13 13 13 13 14 14 14 14 14 14 20 20 20 20 22 22 22 22 23 23 23 23 25 25 25 25 25 25 43 43 43 43 27 27 27 43 43 43 43 43 43 43 2 4 2 4 6 13 6 13 35 36 37 35 36 37 1 4 1 4 5 14 5 14 31 32 33 31 32 33 2 14 2 14 11 17 11 17 12 15 16 12 15 16 8 10 8 10 12 13 12 13 43 44 45 43 44 45 7 10 7 10 11 14 11 14 39 40 41 39 40 41 8 14 8 14 5 17 5 17 6 15 16 6 15 16 21 22 21 22 23 24 23 24 25 43 25 43 26 27 28 26 27 28 27 42 27 42 43 43 43 23 42 23 27 23 27 23 -0.2602 -179.9485 179.9161 0.2278 0.0674 -177.6942 179.9095 2.1479 120.9486 -118.9674 0.7739 -58.8532 61.2308 -179.0279 0.3608 -179.9517 -178.2396 1.4479 -0.3256 -167.5158 178.4089 11.2187 118.8866 -121.9249 -1.407 -59.548 59.6406 -179.8416 0.1618 168.0644 178.0936 -14.0037 173.7857 0.0003 -3.7103 -177.4957 -167.4935 -48.5734 73.7517 26.9445 145.8646 -91.8103 0.9735 -179.2546 -179.5247 0.2471 -1.2293 -179.4629 179.2119 0.9783 122.1031 -118.4781 1.8514 -58.4542 60.9646 -178.7059 -0.3662 179.8625 177.8417 -1.9296 -0.3852 165.8377 -178.7709 -12.548 122.6711 -118.1867 2.153 -59.3294 59.8128 -179.8475 1.0133 -165.9254 179.371 12.4324 -177.4752 -3.7101 4.5097 178.2748 169.386 50.5954 -72.0528 -26.1541 -144.9447 92.4071 -0.9963 179.3101 179.8803 0.1867 -5.9617 173.1144 174.3237 -6.6002 -177.6099 -58.319 3.2967 122.5876 63.606 -177.0133 -56.9887 -61.0653 58.3154 178.34 -152.7526 1.8344 -26.3788 128.2082 -42.89 76.9351 -163.5093 34.2273 -116.8855 23.3072 152.4474 -98.458 30.6822 144.2293 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D2 -0.0411545094 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 277.7973999999999 AuxInfo=1/0/N:34,30,42,38,3,9,1,2,7,8,13,14,5,6,11,12;18,25,20,22,24,23/E:(1,3)(2,4)(5,6)(7,9)(8,10)(13,15)(14,16);/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.4;1.3,3.3,4.3,5.1/rA:45nC3C3C3HNNC3C3C3HNNBB4HHHC3HC3HC3OO1CHHHHCHHHCHHHCHHHCHHH/rB:;s1s2;s3;s1;s2s5;;;s7s8;s9;s7;s8s11;s5s11;s6s12;s14;s14;s13;;s18;s18;s20;s20;s22;s22;s23;s25;s25;s25;s18;s2;s30;s30;s30;s1;s34;s34;s34;s8;s38;s38;s38;s7;s42;s42;s42;/rC:.2298,2.8202,.2563;-1.9629,2.4308,.0822;-1.0127,3.4401,.2767;-1.2034,4.5067,.3523;.0168,1.4812,.0882;-1.3149,1.2559,-.0224;1.0736,-2.1209,.7103;-1.1226,-2.5134,.503;.1034,-3.1237,.74;.2642,-4.1658,1.0012;.4294,-.9359,.4252;-.9116,-1.1836,.3081;.9701,.3766,.2119;-1.8153,-.164,-.4463;-2.9691,-.2978,-.1164;-1.651,-.2807,-1.6591;2.1361,.5915,.2552;.7223,-2.3018,-2.6586;-.2532,-2.7339,-2.8926;.976,-1.0149,-2.9009;.2305,-.3534,-3.3457;2.2593,-.3446,-2.5794;3.125,-1.1433,-1.9512;2.5004,.809,-2.8507;4.3455,-.5606,-1.5309;4.157,.2949,-.8654;4.8835,-1.3436,-.9846;4.9321,-.2159,-2.3952;1.4761,-2.9478,-2.2038;-3.4866,2.6054,-.057;-3.8046,2.2213,-1.0037;-3.98,2.0719,.7283;-3.7339,3.6445,.0075;1.625,3.4565,.3981;2.0697,3.1396,1.3183;2.2419,3.1494,-.4205;1.5329,4.5225,.395;-2.5085,-3.1849,.4956;-3.1358,-2.7163,1.2249;-2.9498,-3.0815,-.4736;-2.4029,-4.2235,.7304;2.5754,-2.2648,1.0192;3.1463,-1.9162,.1841;2.8187,-1.6846,1.8847;2.8047,-3.2936,1.2035; 0.000000 2.233730 0.000000 1.388715 1.399726 0.000000 2.215215 2.226816 1.086052 0.000000 1.366217 2.195637 2.220990 3.272886 0.000000 2.216043 1.345879 2.225262 3.274205 1.355126 0.000000 5.033213 5.507555 5.955358 7.016953 3.805174 4.200507 0.000000 5.507946 5.032758 5.958855 7.022132 4.174611 3.810551 2.240606 0.000000 5.964917 5.962805 6.674156 7.751140 4.651631 4.666178 1.395598 1.389870 0.000000 7.025764 7.022885 7.746396 8.819707 5.725752 5.739008 2.218408 2.214085 1.086355 0.000000 3.765248 4.144339 4.609956 5.682683 2.475155 2.836655 1.378604 2.214310 2.234220 3.285039 0.000000 4.163649 3.770997 4.624949 5.697895 2.830457 2.494554 2.231860 1.360484 2.231747 3.279750 1.368637 0.000000 2.553687 3.583155 3.649803 4.669154 1.464336 2.459502 2.548899 3.580020 3.644498 4.664257 1.435505 2.446281 0.000000 3.685318 2.652192 3.762510 4.777754 2.519734 1.564000 3.676021 2.626925 3.721383 4.736532 2.528630 1.557386 2.912761 0.000000 4.482625 2.915037 4.237224 5.140047 3.481742 2.271393 4.511193 2.949954 4.261413 5.163881 3.500052 2.280007 4.010031 1.207471 0.000000 4.101470 3.237579 4.242581 5.212010 2.989841 2.270025 4.052630 3.152576 4.112932 5.083265 3.016851 2.287311 3.286802 1.229479 2.029222 0.000000 2.932843 4.496100 4.246262 5.146888 2.304587 3.525323 2.948460 4.507913 4.262601 5.166511 2.296726 3.527356 1.186437 4.083722 5.195446 4.332140 0.000000 5.913910 6.092591 6.678018 7.689510 4.727989 4.874082 3.391984 3.666632 3.550945 4.132632 3.385392 3.566662 3.933835 3.988006 4.909737 3.273564 4.342773 0.000000 6.402907 6.200527 6.981390 7.991089 5.169664 5.028269 3.888094 3.512084 3.670880 4.180943 3.834876 3.616815 4.561792 3.876748 4.584550 3.081110 5.164831 1.092318 0.000000 5.023305 5.423042 5.822385 6.769149 4.010724 4.323299 3.778030 4.270396 4.297057 5.065691 3.371612 3.726814 3.409709 3.813287 4.881828 2.997080 3.726524 1.333804 2.113262 0.000000 4.800712 4.930887 5.390614 6.273103 3.899191 4.002868 4.504053 4.616223 4.938047 5.782034 3.820817 3.917164 3.706331 3.553653 4.546396 2.527885 4.182162 2.123732 2.471031 1.091481 0.000000 4.709267 5.710910 5.760955 6.642344 3.934374 4.677110 3.922221 5.063865 4.836351 5.603857 3.567372 4.369946 3.158175 4.602829 5.779773 4.017687 2.987713 2.489803 3.481306 1.483059 2.168707 0.000000 5.381973 6.541855 6.564516 7.480892 4.550685 5.402710 3.499704 5.093398 4.504994 5.102600 3.599552 4.626028 3.410731 5.256515 6.420289 4.862051 2.975838 2.759566 3.850765 2.352929 3.308550 1.334890 0.000000 4.342215 5.581504 5.389443 6.136003 3.906119 4.770308 4.827131 5.950797 5.839960 6.677324 4.250336 5.058662 3.450878 5.035241 6.214287 4.454379 3.134719 3.588211 4.487304 2.377566 2.597766 1.209338 2.238452 0.000000 5.618100 7.165581 6.927014 7.746816 5.052520 6.133078 4.261814 6.152261 5.451792 6.005502 4.393510 5.604151 3.912643 6.268103 7.454749 6.004350 3.065676 4.175001 5.265492 3.665544 4.502120 2.344775 1.416271 2.649866 0.000000 4.801967 6.550804 6.158191 6.925004 4.411155 5.619240 4.222200 6.134650 5.540437 6.207785 4.132316 5.408678 3.365075 6.004600 7.189885 5.890181 2.329729 4.664264 5.721298 3.997163 4.689283 2.635909 2.076680 2.636278 1.100103 0.000000 6.366652 7.890283 7.696767 8.547662 5.728449 6.789890 4.241760 6.297209 5.384484 5.765958 4.689650 5.939641 4.439055 6.823140 7.969380 6.654604 3.581814 4.586439 5.653226 4.364386 5.310830 3.229135 2.016585 3.714113 1.095870 1.796271 0.000000 6.193577 7.789922 7.473053 8.215552 5.762615 6.842591 5.306748 7.094914 6.449924 6.994765 5.361664 6.510967 4.779682 7.023445 8.223692 6.624433 3.936176 4.705600 5.785789 4.067501 4.798657 2.682198 2.079155 2.677863 1.099966 1.789345 1.806557 0.000000 6.393380 6.780956 7.290568 8.323556 5.196041 5.497140 3.055746 3.777370 3.252879 3.636503 3.471952 3.888784 4.140437 4.655286 5.580274 4.145885 4.359855 1.091928 1.873698 2.114666 3.096166 2.744264 2.457385 3.947266 3.792741 4.415164 3.958551 4.409543 0.000000 3.735718 1.540000 2.632111 2.999189 3.682196 2.557114 6.612290 5.666072 6.807794 7.812728 5.301736 4.595727 4.990199 3.257942 2.949561 3.777015 5.980669 6.968752 6.855885 6.411684 5.778164 6.934046 7.832894 6.846604 8.575359 8.025994 9.301228 9.181548 7.750770 0.000000 4.268773 2.148263 3.304466 3.718601 4.042628 2.844933 6.751949 5.646235 6.846988 7.833897 5.471358 4.656531 5.261000 3.155496 2.798358 3.365606 6.287522 6.609774 6.382257 6.076730 5.328796 6.770359 7.761266 6.720031 8.627839 8.192487 9.390978 9.176342 7.486265 1.070000 0.000000 4.301689 2.148263 3.298547 3.711964 4.090548 2.886530 6.566449 5.407403 6.608169 7.549635 5.346120 4.493301 5.257737 3.326317 2.711214 4.081508 6.310471 7.260271 7.077792 6.874725 6.341009 7.463899 8.246100 7.509976 9.019235 8.479860 9.651942 9.716733 7.972609 1.070000 1.747303 0.000000 4.056102 2.148263 2.742071 2.695507 4.330566 3.399699 7.539594 6.706970 7.814678 8.830251 6.203803 5.600531 5.731346 4.288469 4.017638 4.745850 6.621129 7.894529 7.823605 7.235502 6.553160 7.650107 8.590937 7.421332 9.237164 8.616734 10.006196 9.786455 8.688559 1.070000 1.747303 1.747303 0.000000 1.540000 3.744930 2.640594 3.017427 2.565923 3.696268 5.613287 6.572662 6.762460 7.766287 4.552303 5.288910 3.154204 5.065227 5.955276 5.378742 2.913733 6.581459 7.257885 5.594466 5.520502 4.869966 5.378439 4.281413 5.220977 4.242997 5.964056 5.676740 6.914210 5.201903 5.742061 5.782880 5.376420 0.000000 2.148263 4.276877 3.267510 3.676289 2.911617 4.098898 5.388394 6.543064 6.590089 7.531892 4.483081 5.347728 3.172849 5.396335 6.266059 5.865722 2.761779 6.873075 7.591110 6.021418 6.110350 5.231439 5.490608 4.795613 5.195010 4.149415 5.772299 5.765606 7.057837 5.748825 6.382945 6.171397 5.971162 1.070000 0.000000 2.148263 4.295207 3.341129 3.782758 2.827123 4.049017 5.515447 6.651326 6.728434 7.710077 4.548660 5.408328 3.115391 5.238332 6.255419 5.334265 2.647763 6.085522 6.852001 5.009646 4.987202 4.107280 4.642281 3.383871 4.407050 3.466102 5.242438 4.739392 6.398611 5.765695 6.145017 6.418099 6.011510 1.070000 1.747303 0.000000 2.148263 4.085713 2.768699 2.736661 3.412028 4.353712 6.666746 7.521117 7.786317 8.801377 5.568933 6.208250 4.187894 5.820762 6.615495 6.117784 3.979486 7.520114 8.164156 6.468093 6.282002 5.750135 6.335720 5.026052 6.120240 5.132953 6.894969 6.464669 7.909602 5.392078 5.978346 6.042176 5.353523 1.070000 1.747303 1.747303 0.000000 6.604316 5.657320 6.795322 7.802806 5.321261 4.627462 3.742907 1.540000 2.624002 2.984275 3.700525 2.567208 4.986551 3.239384 2.987009 3.716507 5.990953 4.600763 4.095103 5.327950 5.502348 6.344714 6.472355 7.227594 7.613846 7.641381 7.760341 8.516708 4.818682 5.898308 5.757977 5.463812 6.955569 7.823248 7.850830 7.970495 8.703264 0.000000 6.551222 5.401395 6.580923 7.527748 5.371237 4.544191 4.282259 2.148263 3.300459 3.702837 4.064424 2.852517 5.239345 3.324298 2.770623 4.056405 6.298805 5.489827 5.026284 6.068284 6.148700 7.014647 7.194400 7.797759 8.258966 8.162217 8.430579 9.189545 5.751388 5.485233 5.458387 4.887377 6.503811 7.839136 7.835624 8.126086 8.653646 1.070000 0.000000 6.743329 5.627484 6.844453 7.830173 5.471242 4.657148 4.302534 2.148263 3.285819 3.698778 4.102422 2.892635 5.272004 3.130415 2.806584 3.307020 6.315718 4.343521 3.639192 5.057097 5.079944 6.249771 6.545428 7.105673 7.790592 7.877824 8.039982 8.603954 4.753882 5.727350 5.397266 5.391025 6.788546 8.027037 8.191915 8.110487 8.869560 1.070000 1.747303 0.000000 7.534529 6.700270 7.801865 8.820233 6.229818 5.636788 4.062838 2.148263 2.736939 2.681424 4.350010 3.412198 5.727706 4.267227 4.055705 4.671233 6.634161 4.994499 4.468377 5.907465 6.207050 6.909178 6.872832 7.886196 8.004393 8.123706 8.020348 8.923671 5.028227 6.959046 6.819557 6.489891 8.012385 8.678453 8.635019 8.789621 9.596578 1.070000 1.747303 1.747303 0.000000 5.651681 6.597186 6.780294 7.783093 4.630972 5.349221 1.540000 3.742152 2.631832 2.992630 2.593115 3.719366 3.194644 5.083267 5.991717 5.382601 2.989162 4.118440 4.850128 4.414444 5.310813 4.091130 3.222329 4.942687 3.541281 3.550438 3.192394 4.627123 3.473141 7.850163 8.057355 7.865374 8.703454 5.832830 5.436207 5.612272 6.895198 5.192953 5.732664 5.781286 5.357507 0.000000 5.562862 6.709017 6.782100 7.758964 4.620141 5.477854 2.148263 4.322279 3.320610 3.746310 2.898421 4.125347 3.161283 5.299576 6.333108 5.393166 2.704457 3.755674 4.657409 3.878055 4.837739 3.300557 2.270993 4.129636 2.493382 2.648054 2.170627 3.568310 3.091216 8.031106 8.175834 8.184424 8.848140 5.588022 5.292126 5.181132 6.641137 5.803736 6.417767 6.241207 6.034492 1.070000 0.000000 5.444923 6.561158 6.597578 7.540318 4.593484 5.419343 2.148263 4.257945 3.279377 3.669151 2.898195 4.080629 3.234784 5.405525 6.279054 5.874295 2.881254 5.041535 5.775856 5.171600 5.985642 4.694333 3.886013 5.361259 3.906487 3.643161 3.551433 4.994071 4.484852 7.869614 8.213764 7.853004 8.652093 5.483151 4.914672 5.386440 6.511518 5.706098 6.079087 6.386586 5.919718 1.070000 1.747303 0.000000 6.701181 7.533634 7.795796 8.810932 5.640462 6.258656 2.148263 4.064863 2.746031 2.693636 3.436041 4.366266 4.221274 5.818986 6.637307 6.093023 4.054622 4.498426 5.142238 5.038083 5.997224 4.827479 3.831283 5.775846 4.161785 4.357373 3.593334 5.191231 3.673493 8.715910 8.886356 8.662856 9.608307 6.899512 6.475999 6.668288 7.960017 5.361226 5.968440 5.997643 5.311027 1.070000 1.747303 1.747303 0.000000 C14H23B2N4O2(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 277.7973999999999 AuxInfo=1/0/N:34,30,42,38,3,9,1,2,7,8,13,14,5,6,11,12;18,25,20,22,24,23/E:(1,3)(2,4)(5,6)(7,9)(8,10)(13,15)(14,16);/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.4;1.3,3.3,4.3,5.1/rA:45nC3C3C3HNNC3C3C3HNNBB4HHHC3HC3HC3OO1CHHHHCHHHCHHHCHHHCHHH/rB:;s1s2;s3;s1;s2s5;;;s7s8;s9;s7;s8s11;s5s11;s6s12;s14;s14;s13;;s18;s18;s20;s20;s22;s22;s23;s25;s25;s25;s18;s2;s30;s30;s30;s1;s34;s34;s34;s8;s38;s38;s38;s7;s42;s42;s42;/rC:-2.2556,-1.881,-.7102;-3.4697,-.2562,.2256;-3.5444,-1.5439,-.3179;-4.4213,-2.1835,-.3563;-1.4512,-.8111,-.4366;-2.195,.1663,.1359;1.5919,1.3149,-1.2728;.3851,2.9356,-.3047;1.5959,2.6684,-.9327;2.3568,3.396,-1.2006;.404,.7821,-.8194;-.3295,1.78,-.237;-.0661,-.574,-.8483;-1.4751,1.4108,.7515;-2.2609,2.3227,.8465;-.9983,1.0792,1.8351;.5858,-1.4565,-1.2999;2.2585,.7992,2.0128;1.9313,1.6709,2.584;1.6137,-.3643,2.1115;.7498,-.4917,2.7662;1.9715,-1.5819,1.3441;2.9694,-1.3828,.4802;1.4155,-2.6474,1.4785;3.3202,-2.4712,-.3553;2.4509,-2.8056,-.9408;4.0994,-2.0977,-1.0293;3.6938,-3.3169,.2406;3.1152,.9126,1.3454;-4.6126,.5428,.8789;-4.3501,.7801,1.8887;-4.7744,1.4472,.3305;-5.5075,-.0438,.8715;-1.755,-3.1908,-1.3468;-1.4456,-3.0025,-2.3537;-.9268,-3.5674,-.7837;-2.5449,-3.9126,-1.3455;-.1162,4.3,.2039;-1.0409,4.5421,-.277;-.2663,4.2529,1.2623;.6101,5.053,-.0202;2.6591,.5511,-2.0786;3.0123,-.28,-1.5046;2.2301,.1967,-2.9925;3.4763,1.2058,-2.2985; 0.3359457 0.2622389 0.1875538 -19.29855 -19.23109 -14.51545 -14.51296 -14.49967 -14.48976 -10.41725 -10.35382 -10.34364 -10.34308 -10.33591 -10.33548 -10.30571 -10.30196 -10.30137 -10.30078 -10.29877 -10.29818 -10.29193 -10.28716 -6.85312 -6.83036 -1.19842 -1.16220 -1.14031 -1.09781 -0.94020 -0.92686 -0.90857 -0.88467 -0.88216 -0.81630 -0.81393 -0.81061 -0.80635 -0.80231 -0.71938 -0.70634 -0.68414 -0.67827 -0.66582 -0.64915 -0.64727 -0.61733 -0.59368 -0.58499 -0.57673 -0.56543 -0.55447 -0.55201 -0.52512 -0.52271 -0.51726 -0.51714 -0.51426 -0.51142 -0.50890 -0.50488 -0.50357 -0.49744 -0.49270 -0.49044 -0.48850 -0.48533 -0.48154 -0.46868 -0.45135 -0.44947 -0.44225 -0.43757 -0.43717 -0.42459 -0.39718 -0.38359 -0.37244 -0.35587 -0.35209 -0.34224 -0.33464 -0.31061 -0.16793 0.03341 0.04659 0.11097 0.13463 0.14021 0.14087 0.15031 0.15367 0.15627 0.16765 0.16808 0.17555 0.18148 0.18629 0.19647 0.19810 0.20030 0.20495 0.21241 0.21355 0.21799 0.22366 0.23506 0.23897 0.24114 0.24348 0.24507 0.25119 0.25787 0.26361 0.28277 0.28727 0.29048 0.29441 0.29930 0.30227 0.30794 0.33000 0.33092 0.34144 0.35028 0.36342 0.37167 0.38095 0.38463 0.39281 0.40148 0.41144 0.41540 0.42623 0.43865 0.44539 0.46266 0.46757 0.48086 0.48619 0.49851 0.50285 0.51161 0.51351 0.51882 0.51995 0.52708 0.53302 0.54155 0.54981 0.55533 0.56023 0.57220 0.57824 0.57983 0.58783 0.58975 0.60207 0.60647 0.62568 0.63161 0.64038 0.65475 0.66338 0.66872 0.67837 0.68584 0.69588 0.70896 0.71140 0.72248 0.72526 0.73110 0.73333 0.73715 0.74013 0.74113 0.74528 0.75183 0.75582 0.75873 0.76276 0.76674 0.76854 0.77313 0.77521 0.78084 0.78464 0.78744 0.78939 0.79622 0.79805 0.80010 0.80439 0.81026 0.81970 0.82408 0.83231 0.84085 0.84466 0.85109 0.86568 0.87000 0.87395 0.88564 0.89591 0.90426 0.90887 0.91547 0.94020 0.94211 0.94836 0.96102 0.98687 0.99478 1.01297 1.02362 1.03330 1.04475 1.06026 1.06229 1.08246 1.10270 1.11358 1.11410 1.13413 1.15030 1.15647 1.17282 1.17636 1.20016 1.21260 1.22941 1.23190 1.23814 1.24655 1.25172 1.25679 1.26021 1.28718 1.29416 1.30415 1.30826 1.32318 1.33642 1.34250 1.35552 1.36144 1.38247 1.41588 1.41824 1.43690 1.44763 1.45887 1.47166 1.48491 1.49325 1.50460 1.53297 1.55525 1.59148 1.59560 1.60929 1.61400 1.61528 1.62023 1.62418 1.62729 1.63288 1.63567 1.63739 1.64310 1.64987 1.66766 1.67528 1.68920 1.69316 1.69498 1.71423 1.72801 1.74347 1.76446 1.77215 1.78789 1.79735 1.80367 1.81594 1.81780 1.82087 1.82665 1.83160 1.83255 1.84074 1.85255 1.85853 1.86508 1.86582 1.87081 1.88333 1.89280 1.89851 1.90169 1.90363 1.91112 1.91531 1.91943 1.92321 1.93282 1.94072 1.95291 1.95506 1.97210 1.97456 2.01341 2.01792 2.02429 2.02934 2.03948 2.04811 2.05577 2.06459 2.09723 2.09829 2.11237 2.12065 2.13264 2.14931 2.15771 2.16451 2.17838 2.18870 2.19154 2.20346 2.21611 2.22178 2.22717 2.24044 2.24746 2.26040 2.26278 2.28101 2.29156 2.32284 2.32765 2.34133 2.35795 2.36883 2.36926 2.37448 2.39058 2.40220 2.41346 2.41582 2.42084 2.45311 2.45548 2.47188 2.48011 2.50542 2.52031 2.53699 2.54910 2.55750 2.56904 2.57865 2.58479 2.59562 2.59946 2.60925 2.62000 2.63410 2.64530 2.64802 2.68061 2.68305 2.69109 2.73424 2.74005 2.75478 2.76983 2.79035 2.79530 2.80074 2.80915 2.82378 2.85338 2.87162 2.87705 2.88743 2.88950 2.89400 2.89594 2.91181 2.91805 2.92175 2.93455 2.96659 2.97893 3.00347 3.04882 3.05353 3.05724 3.05812 3.07721 3.08016 3.08812 3.09909 3.13049 3.13770 3.14294 3.15214 3.19295 3.22207 3.23734 3.30724 3.32720 3.35735 3.37058 3.41137 3.44052 3.44964 3.55781 3.57562 3.65348 3.73991 3.79487 -19.29850 -19.23074 -14.51719 -14.51524 -14.49911 -14.48867 -10.41728 -10.35381 -10.34217 -10.34094 -10.33316 -10.33258 -10.30544 -10.30211 -10.30148 -10.30085 -10.29902 -10.29836 -10.29241 -10.28794 -6.84914 -6.83043 -1.19826 -1.16162 -1.13962 -1.09726 -0.93774 -0.92404 -0.90526 -0.88202 -0.88182 -0.81471 -0.81358 -0.81013 -0.80604 -0.80162 -0.71802 -0.70586 -0.68058 -0.67394 -0.66381 -0.64884 -0.64331 -0.61626 -0.59333 -0.58269 -0.57496 -0.56168 -0.55248 -0.54952 -0.52479 -0.52076 -0.51597 -0.51525 -0.51207 -0.50943 -0.50681 -0.50375 -0.50221 -0.49624 -0.49192 -0.49013 -0.48762 -0.48503 -0.48098 -0.46759 -0.44987 -0.44823 -0.44000 -0.43643 -0.43566 -0.42300 -0.39362 -0.38264 -0.35917 -0.35387 -0.35142 -0.33605 -0.32851 -0.30171 0.02020 0.03993 0.07176 0.12795 0.14059 0.14508 0.15018 0.15218 0.15367 0.15700 0.16820 0.16908 0.17599 0.18193 0.18911 0.19674 0.19862 0.20058 0.20745 0.21298 0.21375 0.21849 0.22487 0.23617 0.23940 0.24156 0.24448 0.24585 0.25236 0.25829 0.26418 0.28566 0.28941 0.29283 0.29700 0.30067 0.30381 0.30929 0.33182 0.33272 0.34214 0.35219 0.36621 0.37509 0.38287 0.38702 0.39487 0.40237 0.41436 0.41604 0.42814 0.43941 0.44640 0.46412 0.46912 0.48182 0.48874 0.50027 0.50697 0.51264 0.51607 0.52075 0.52591 0.52976 0.53534 0.54419 0.55143 0.55801 0.56197 0.57325 0.57966 0.58153 0.58841 0.59281 0.60463 0.60942 0.62759 0.63329 0.64256 0.65561 0.66402 0.66922 0.67894 0.68617 0.69888 0.71160 0.71344 0.72332 0.72610 0.73208 0.73525 0.73878 0.74105 0.74210 0.74599 0.75261 0.75696 0.75946 0.76295 0.76726 0.76903 0.77451 0.77552 0.78113 0.78532 0.78812 0.78995 0.79672 0.79838 0.80075 0.80501 0.81190 0.82041 0.82472 0.83350 0.84257 0.84546 0.85192 0.86800 0.87133 0.87516 0.88734 0.89694 0.90591 0.90988 0.91736 0.94121 0.94327 0.94877 0.96177 0.98753 0.99572 1.01299 1.02666 1.03570 1.04652 1.06199 1.06417 1.08354 1.10466 1.11424 1.12388 1.13730 1.15248 1.15803 1.17549 1.17757 1.20161 1.21437 1.23085 1.23808 1.24042 1.24808 1.25274 1.25924 1.26403 1.28817 1.29580 1.30486 1.30910 1.32413 1.33938 1.34379 1.35672 1.36270 1.38313 1.41762 1.42048 1.43801 1.44960 1.46269 1.47329 1.48682 1.49640 1.50556 1.53332 1.56525 1.59283 1.59816 1.61009 1.61588 1.61673 1.62150 1.62534 1.62962 1.63453 1.63701 1.63906 1.64567 1.65125 1.66928 1.67638 1.69098 1.69533 1.69728 1.71730 1.73016 1.74645 1.76730 1.77275 1.78982 1.79828 1.80529 1.81729 1.81911 1.82293 1.82835 1.83339 1.83405 1.84165 1.85408 1.85984 1.86582 1.86755 1.87206 1.88501 1.89356 1.90012 1.90352 1.90539 1.91273 1.91702 1.92237 1.92393 1.93428 1.94359 1.95490 1.95687 1.97474 1.97701 2.01453 2.01856 2.02501 2.03078 2.03994 2.04992 2.05696 2.06514 2.09766 2.09989 2.11343 2.12223 2.13387 2.15056 2.15847 2.16533 2.17997 2.19045 2.19260 2.20458 2.21792 2.22344 2.22886 2.24159 2.24971 2.26194 2.26495 2.28241 2.29300 2.32685 2.33067 2.34577 2.35891 2.36939 2.37147 2.37697 2.39361 2.40255 2.41475 2.41603 2.42242 2.45338 2.45547 2.47208 2.48169 2.50670 2.52173 2.53776 2.55031 2.55820 2.57064 2.58045 2.58570 2.59615 2.60004 2.60960 2.62079 2.63503 2.64656 2.64898 2.68161 2.68462 2.69235 2.73547 2.74150 2.75503 2.77268 2.79260 2.79754 2.80205 2.81094 2.82407 2.85546 2.87254 2.87868 2.88767 2.88977 2.89436 2.89660 2.91272 2.91864 2.92227 2.93480 2.96744 2.97922 3.00372 3.04908 3.05384 3.05774 3.05862 3.07744 3.08048 3.08839 3.09957 3.13190 3.13810 3.14311 3.15257 3.19293 3.22374 3.23795 3.30739 3.32767 3.35754 3.37107 3.41199 3.44130 3.45042 3.55787 3.57580 3.65473 3.73998 3.79510 2-A. 0.3744 0.7460 -2.3984 2.5395 -113.3909 -124.7535 -133.9090 4.8796 -4.9486 7.6273 10.6269 -0.7357 -9.8912 4.8796 -4.9486 7.6273 -6.5664 12.0909 1.7190 12.2284 -28.3427 -7.9254 13.1843 -2.5623 -23.8411 3.7438 -3923.6301 -3045.8821 -1175.2112 -33.0890 -88.1698 35.2602 55.1073 -8.8988 4.3203 -1142.0964 -916.2171 -754.8117 4.5592 3.6220 7.6416 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 277.7973999999999 AuxInfo=1/0/N:34,30,42,38,3,9,1,2,7,8,13,14,5,6,11,12;18,25,20,22,24,23/E:(1,3)(2,4)(5,6)(7,9)(8,10)(13,15)(14,16);/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.4;1.3,3.3,4.3,5.1/rA:45nC3C3C3HNNC3C3C3HNNBB4HHHC3HC3HC3OO1CHHHHCHHHCHHHCHHHCHHH/rB:;s1s2;s3;s1;s2s5;;;s7s8;s9;s7;s8s11;s5s11;s6s12;s14;s14;s13;;s18;s18;s20;s20;s22;s22;s23;s25;s25;s25;s18;s2;s30;s30;s30;s1;s34;s34;s34;s8;s38;s38;s38;s7;s42;s42;s42;/rC:.3416,2.6328,.1127;-1.8614,2.3488,-.1189;-.8574,3.3161,-.0738;-.9831,4.3908,-.1706;.0492,1.3064,.181;-1.2906,1.1413,.0417;.9322,-2.3113,.8448;-1.2682,-2.6253,.6191;-.0701,-3.2807,.8924;.0608,-4.3395,1.0983;.3354,-1.1173,.5734;-1.0001,-1.3175,.424;.9534,.1842,.4142;-1.9453,-.2508,-.1997;-3.0327,-.2911,.3536;-2.0494,-.4481,-1.4126;2.1239,.3496,.5784;.8821,-2.0589,-2.474;-.0819,-2.5582,-2.5938;.967,-.7254,-2.5126;.0862,-.1017,-2.6796;2.2207,.0442,-2.3466;3.2763,-.7228,-2.0218;2.309,1.2397,-2.5007;4.4941,-.0398,-1.7975;4.4078,.6322,-.9295;5.249,-.8098,-1.6006;4.7808,.5584,-2.6743;1.7643,-2.681,-2.3088;-3.3274,2.5039,-.3333;-3.6522,1.9694,-1.2388;-3.8972,2.0892,.5115;-3.5807,3.5659,-.4428;1.7348,3.1396,.2339;2.1853,2.8452,1.1952;2.3583,2.7343,-.5774;1.7388,4.2348,.1679;-2.6497,-3.1684,.4963;-3.3336,-2.6785,1.2055;-3.0537,-2.9975,-.5135;-2.649,-4.2474,.6957;2.4019,-2.4179,1.0436;2.9389,-2.0569,.1521;2.7372,-1.8108,1.9007;2.6811,-3.463,1.2274; 0.000000 2.233303 0.000000 1.392595 1.394891 0.000000 2.219430 2.223496 1.086386 0.000000 1.359944 2.197068 2.219398 3.271546 0.000000 2.212171 1.345213 2.220496 3.270912 1.357152 0.000000 5.032817 5.518182 5.976178 7.044058 3.782657 4.184151 0.000000 5.522271 5.063456 5.995767 7.066203 4.169639 3.810716 2.234114 0.000000 5.978872 5.993571 6.713503 7.798461 4.643487 4.665588 1.395247 1.392640 0.000000 7.047207 7.064719 7.799052 8.883621 5.719960 5.743036 2.221948 2.221327 1.086559 0.000000 3.778290 4.161628 4.636442 5.712398 2.471892 2.833379 1.362220 2.201701 2.224075 3.276197 0.000000 4.183526 3.805051 4.662439 5.739237 2.836376 2.505272 2.213328 1.349190 2.222261 3.273052 1.358648 0.000000 2.541742 3.590629 3.650406 4.667681 1.459830 2.467864 2.532574 3.587614 3.644492 4.661453 1.449611 2.464048 0.000000 3.693611 2.602268 3.731266 4.740439 2.558891 1.557242 3.690081 2.601350 3.726765 4.735653 2.559249 1.555639 2.994717 0.000000 4.471363 2.926445 4.233941 5.137679 3.475651 2.276816 4.477045 2.938206 4.243269 5.149251 3.474932 2.278183 4.014822 1.220775 0.000000 4.187539 3.087372 4.169225 5.108324 3.165753 2.284111 4.178244 3.078688 4.153782 5.089271 3.174776 2.286865 3.571223 1.233243 2.027538 0.000000 2.933664 4.512857 4.256010 5.152290 2.318989 3.545974 2.927734 4.511964 4.253416 5.149196 2.313151 3.544364 1.193488 4.186181 5.201142 4.692222 0.000000 5.384715 5.701009 6.138179 7.098153 4.366665 4.614243 3.328787 3.809417 3.705672 4.317069 3.236095 3.534193 3.657624 4.054078 5.142599 3.509263 4.081696 0.000000 5.869494 5.776742 6.438867 7.414395 4.759373 4.700387 3.593523 3.425526 3.560243 4.101821 3.504497 3.389566 4.200069 3.811522 4.747019 3.117490 4.835683 1.092233 0.000000 4.308171 4.814573 5.060540 5.955081 3.496498 3.886629 3.713349 4.291069 4.381712 5.188650 3.174293 3.583775 3.064868 3.749108 4.939749 3.222632 3.471088 1.336824 2.113335 0.000000 3.916539 4.044129 4.400133 5.255543 3.188516 3.293336 4.244992 4.368550 4.784307 5.677366 3.416963 3.505726 3.225670 3.209158 4.354673 2.507157 3.869188 2.122882 2.463798 1.092108 0.000000 4.034809 5.190129 5.034392 5.821700 3.563263 4.386018 4.170615 5.300370 5.176303 5.979101 3.664714 4.461372 3.040944 4.695900 5.916227 4.398690 2.942508 2.496252 3.483654 1.480416 2.165282 0.000000 4.942550 6.281118 6.098773 6.907905 4.402737 5.346996 4.029368 5.589828 5.121928 5.758044 3.942096 4.962186 3.486077 5.550478 6.755216 5.367478 3.039653 2.778813 3.869549 2.360914 3.315960 1.344682 0.000000 3.555426 4.929010 4.497426 5.118270 3.507437 4.408016 5.069300 6.121038 6.132464 7.009600 4.347498 5.103206 3.383473 5.061088 6.246876 4.798725 3.210554 3.594063 4.488750 2.379566 2.602299 1.208574 2.239779 0.000000 5.294777 6.993985 6.547624 7.230275 5.048117 6.183936 4.982874 6.762310 6.210613 6.821120 4.906894 6.062508 4.180710 6.638005 7.832217 6.567524 3.378557 4.192983 5.283607 3.663607 4.495763 2.340280 1.414180 2.628012 0.000000 4.649972 6.550311 5.971386 6.615507 4.548026 5.802950 4.887927 6.724984 6.219449 6.908362 4.680156 5.905771 3.733462 6.455479 7.606544 6.564688 2.751330 4.696527 5.753712 4.023412 4.719885 2.671494 2.075867 2.691229 1.101058 0.000000 6.234483 7.920221 7.526051 8.241960 5.889785 7.019307 5.183566 7.120157 6.372903 6.830850 5.381889 6.588471 4.847623 7.350662 8.524950 7.309759 3.982273 4.625243 5.697539 4.378871 5.321692 3.233620 2.019017 3.695169 1.096126 1.799194 0.000000 5.637121 7.338609 6.793887 7.360648 5.576737 6.676766 5.952399 7.587648 7.140835 7.778182 5.754790 6.821817 4.932307 7.212399 8.422650 7.018318 4.205121 4.700024 5.776303 4.027342 4.740841 2.631720 2.081034 2.569933 1.099402 1.785715 1.801023 0.000000 6.010304 6.575746 6.916149 7.882290 5.003958 5.428425 3.282467 4.215665 3.738013 4.154692 3.576919 4.119373 4.035051 4.910696 5.984288 4.509241 4.201168 1.092025 1.872112 2.121720 3.099425 2.763390 2.490529 3.962929 3.832625 4.457226 4.018194 4.441392 0.000000 3.698271 1.489677 2.613017 3.013728 3.619417 2.479062 6.536009 5.608638 6.750863 7.769321 5.229857 4.537963 4.925931 3.084961 2.893191 3.393057 5.932040 6.566744 6.424056 5.798214 4.893518 6.394131 7.541365 6.169631 8.354063 7.980706 9.281221 8.660763 7.530704 0.000000 4.268155 2.145940 3.313867 3.758800 4.019413 2.811105 6.609298 5.499678 6.703443 7.684425 5.358378 4.538911 5.208662 2.987076 2.833516 2.905732 6.268099 6.189692 5.922980 5.497312 4.509985 6.278845 7.474282 6.136744 8.408960 8.175951 9.331935 8.669886 7.218639 1.100564 0.000000 4.292111 2.146912 3.329914 3.775533 4.036897 2.813090 6.542160 5.399127 6.605143 7.572267 5.310417 4.472892 5.212185 3.129197 2.537329 3.681669 6.267751 6.997293 6.767428 6.381793 5.554286 7.055460 8.110790 6.950643 8.959827 8.554074 9.824366 9.370226 7.922243 1.100143 1.771433 0.000000 4.069908 2.131248 2.759563 2.739051 4.320992 3.370122 7.521077 6.693764 7.809139 8.839176 6.188759 5.590906 5.720845 4.159466 3.976221 4.404259 6.627991 7.461949 7.373792 6.586355 5.647994 7.048607 8.240465 6.658398 8.946445 8.524056 9.922224 9.161888 8.430561 1.097207 1.785366 1.786423 0.000000 1.487459 3.699002 2.616347 3.019286 2.490923 3.630890 5.543515 6.511594 6.701668 7.712782 4.493912 5.232777 3.062253 5.022571 5.874805 5.468361 2.838035 5.923213 6.615249 4.803195 4.659629 4.059107 4.731069 3.378961 4.674279 3.845208 5.595751 4.939493 6.351804 5.133387 5.705950 5.735859 5.375368 0.000000 2.148522 4.283606 3.330214 3.780667 2.821233 4.039277 5.318127 6.494960 6.534917 7.492811 4.417016 5.298069 3.034488 5.347216 6.145915 5.964826 2.571384 6.261891 6.978050 5.289678 5.301335 4.515613 4.926469 4.031464 4.754968 3.788291 5.528201 5.190291 6.556938 5.730866 6.384972 6.167348 6.037387 1.101756 0.000000 2.133889 4.262014 3.306441 3.751571 2.818840 4.029342 5.432801 6.580935 6.651200 7.624024 4.500200 5.357146 3.075688 5.251152 6.251624 5.500308 2.660430 5.362053 6.166985 4.201229 4.198187 3.222697 3.857627 2.436330 3.707587 2.956948 4.686554 3.873069 5.716313 5.695586 6.094947 6.382253 5.998463 1.100501 1.784449 0.000000 2.126391 4.074373 2.764505 2.747268 3.380868 4.331596 6.630296 7.503765 7.764026 8.786353 5.547890 6.196382 4.133335 5.816209 6.579138 6.227195 3.925780 6.879273 7.555591 5.690683 5.444650 4.910792 5.633573 4.051841 5.452231 4.615950 6.395067 5.554142 7.345927 5.377091 6.014429 6.040349 5.396072 1.097166 1.784909 1.786234 0.000000 6.538249 5.607071 6.751723 7.769423 5.235204 4.541734 3.699512 1.489532 2.612220 3.013480 3.622649 2.480356 4.922322 3.081009 2.906212 3.376978 5.930455 4.746282 4.063785 5.301153 5.193818 6.490277 6.887627 7.280194 8.129204 8.141555 8.505861 8.896854 5.252619 5.772573 5.514688 5.403607 6.862850 7.686603 7.747817 7.815051 8.612417 0.000000 6.550685 5.403284 6.610880 7.575902 5.326619 4.485469 4.296777 2.147734 3.333290 3.780543 4.037112 2.812184 5.215368 3.129804 2.552716 3.671279 6.272725 5.629808 5.002242 6.011166 5.781755 7.133090 7.611265 7.805551 8.789438 8.686059 9.221035 9.558980 6.191880 5.406093 5.261081 4.850862 6.463007 7.777133 7.808310 8.054532 8.637111 1.100291 0.000000 6.604625 5.491882 6.699184 7.680689 5.351125 4.532888 4.266616 2.147020 3.310375 3.754933 4.025267 2.814029 5.200137 2.978502 2.842056 2.883838 6.261276 4.496146 3.654070 5.032423 4.789231 6.358628 6.893391 7.117669 8.207742 8.307924 8.654681 8.870945 5.151419 5.511217 5.055108 5.257114 6.584894 7.820071 8.031470 7.883436 8.702824 1.100967 1.770624 0.000000 7.524714 6.692875 7.810838 8.840000 6.196019 5.595702 4.073813 2.131641 2.761105 2.741113 4.326568 3.373021 5.718081 4.155702 3.989665 4.386279 6.627752 5.225463 4.501578 5.981121 6.005098 7.168549 7.410621 8.056485 8.657065 8.732111 8.914546 9.468633 5.564051 6.862970 6.587679 6.461083 7.950618 8.602325 8.597974 8.685574 9.564503 1.097351 1.786079 1.785612 0.000000 5.533551 6.499866 6.689515 7.700037 4.488785 5.225541 1.486856 3.700338 2.622668 3.029247 2.486564 3.628821 3.043893 5.013926 5.876614 5.452221 2.820001 3.848643 4.406747 4.191677 4.958768 4.193812 3.610341 5.093957 4.254955 4.149617 4.205215 5.323521 3.422653 7.677539 7.817208 7.763746 8.591052 5.655643 5.269640 5.401354 6.742731 5.136304 5.743699 5.703036 5.383300 0.000000 5.361044 6.521286 6.582718 7.553793 4.434303 5.303788 2.138101 4.270928 3.331714 3.793303 2.799811 4.017053 3.005634 5.219293 6.230544 5.469908 2.576294 3.335694 4.112971 3.572432 4.469858 3.342756 2.572837 4.278058 3.207552 3.249370 3.156535 4.268558 2.797373 7.765555 7.847811 8.003290 8.629925 5.334851 5.068159 4.881125 6.405179 5.708493 6.390684 6.102459 6.026525 1.101587 0.000000 5.355466 6.521356 6.565411 7.522696 4.460875 5.328602 2.150133 4.283509 3.325397 3.768395 2.830396 4.048614 3.061348 5.363784 6.164011 5.978778 2.606097 4.758180 5.357759 4.877358 5.561250 4.663362 4.106115 5.372239 4.460930 4.094989 4.423819 5.542524 4.407187 7.770885 8.060381 7.820190 8.620709 5.318823 4.741337 5.190636 6.367795 5.730080 6.171751 6.385235 6.033228 1.102463 1.777278 0.000000 6.623792 7.498286 7.756961 8.778598 5.546994 6.195199 2.128656 4.082670 2.777532 2.765958 3.381192 4.335889 4.116911 5.810142 6.593380 6.199731 3.907398 4.348357 4.801470 4.941738 5.770348 5.028551 4.291922 6.012736 4.914886 4.940091 4.651008 5.983634 3.735921 8.610590 8.700755 8.637948 9.560616 6.743723 6.327724 6.462896 7.827342 5.388753 6.065660 6.011291 5.413647 1.097334 1.788859 1.784998 0.000000 C14H23B2N4O2(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 277.7973999999999 AuxInfo=1/0/N:34,30,42,38,3,9,1,2,7,8,13,14,5,6,11,12;18,25,20,22,24,23/E:(1,3)(2,4)(5,6)(7,9)(8,10)(13,15)(14,16);/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.4;1.3,3.3,4.3,5.1/rA:45nC3C3C3HNNC3C3C3HNNBB4HHHC3HC3HC3OO1CHHHHCHHHCHHHCHHHCHHH/rB:;s1s2;s3;s1;s2s5;;;s7s8;s9;s7;s8s11;s5s11;s6s12;s14;s14;s13;;s18;s18;s20;s20;s22;s22;s23;s25;s25;s25;s18;s2;s30;s30;s30;s1;s34;s34;s34;s8;s38;s38;s38;s7;s42;s42;s42;/rC:-1.1151,-2.419,-.8286;-2.9304,-1.5528,.1419;-2.3819,-2.7387,-.3465;-2.8472,-3.7203,-.3466;-.9288,-1.086,-.6345;-2.036,-.5658,-.0467;.9601,2.1579,-1.101;-.8438,3.0525,-.1331;.3892,3.3661,-.6997;.8245,4.356,-.8056;.0765,1.1663,-.7984;-1.0116,1.7154,-.1981;.2154,-.261,-1.0104;-2.0691,.8663,.5639;-3.1781,1.3513,.405;-1.7702,.8075,1.759;1.1638,-.7254,-1.5665;1.7099,1.1922,1.9951;1.0525,1.9151,2.4831;1.327,-.0792,1.84;.3615,-.4337,2.2074;2.1369,-1.1286,1.1811;3.2677,-.6576,.6264;1.8364,-2.2988,1.1501;4.0604,-1.603,-.0649;3.5153,-2.0056,-.9327;4.9563,-1.0686,-.4012;4.3406,-2.4404,.59;2.6765,1.5443,1.6288;-4.2434,-1.3092,.8021;-4.1056,-.9202,1.8224;-4.8337,-.565,.247;-4.8153,-2.2439,.8572;-.0756,-3.2762,-1.4588;.1764,-2.9207,-2.4707;.8425,-3.2679,-.8521;-.4399,-4.3085,-1.5326;-1.8597,3.9395,.4993;-2.8346,3.8477,-.0025;-2.0135,3.674,1.5566;-1.5323,4.9855,.4445;2.2635,1.8646,-1.7537;2.8557,1.1695,-1.1375;2.1225,1.3944,-2.7408;2.833,2.7928,-1.8888; 0.3171994 0.2978039 0.1900065 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 443 443 443 443 443 MxSgAt= 45 MxSgA2= 45. 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. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 443 443 443 443 443 MxSgAt= 45 MxSgA2= 45. 1 0.7743 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 C C C H N N C C C H N N B B H H H C H C H C O O C H H H H C H H H C H H H C H H H C H H H 13 13 13 1 14 14 13 13 13 1 14 14 11 11 1 1 1 13 1 13 1 13 17 17 13 1 1 1 1 13 1 1 1 13 1 1 1 13 1 1 1 13 1 1 1 0.03452 0.02061 -0.01399 0.00037 -0.05889 0.00958 0.05238 0.03246 -0.02264 0.00049 -0.07421 0.01534 0.05783 -0.00190 0.00071 0.00299 -0.00754 0.00408 -0.00024 0.00238 0.00024 0.00053 0.00262 0.00901 0.00080 -0.00002 0.00001 -0.00003 -0.00033 -0.00492 0.00202 0.00235 0.00007 -0.00609 0.00210 0.00174 0.00011 -0.00783 0.00323 0.00349 0.00011 -0.01010 0.00354 0.00338 0.00016 38.80314 23.16656 -15.72270 1.67487 -19.02633 3.09512 58.88458 36.49147 -25.44722 2.20942 -23.97775 4.95750 82.94908 -2.72389 3.16751 13.34976 -33.72187 4.58322 -1.06301 2.67576 1.05604 0.59281 -1.58579 -5.45958 0.90067 -0.09373 0.04399 -0.13964 -1.47782 -5.53017 9.01862 10.50330 0.33146 -6.84903 9.36702 7.78813 0.48208 -8.79807 14.44544 15.59082 0.50769 -11.34977 15.82420 15.12788 0.71891 13.84593 8.26641 -5.61025 0.59763 -6.78907 1.10442 21.01148 13.02107 -9.08020 0.78838 -8.55586 1.76896 29.59830 -0.97195 1.13025 4.76353 -12.03280 1.63541 -0.37931 0.95478 0.37682 0.21153 -0.56585 -1.94811 0.32138 -0.03345 0.01570 -0.04983 -0.52732 -1.97330 3.21807 3.74784 0.11827 -2.44390 3.34239 2.77900 0.17202 -3.13937 5.15449 5.56319 0.18116 -4.04988 5.64647 5.39800 0.25652 12.94334 7.72753 -5.24453 0.55868 -6.34650 1.03242 19.64178 12.17225 -8.48828 0.73698 -7.99811 1.65365 27.66884 -0.90859 1.05657 4.45300 -11.24841 1.52880 -0.35458 0.89254 0.35226 0.19774 -0.52896 -1.82112 0.30043 -0.03127 0.01467 -0.04658 -0.49295 -1.84467 3.00829 3.50353 0.11056 -2.28459 3.12450 2.59784 0.16080 -2.93472 4.81848 5.20054 0.16935 -3.78588 5.27838 5.04612 0.23980 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 -0.090061 -0.056541 0.012571 0.000836 0.056194 -0.020497 -0.051592 -0.061078 0.008607 0.001362 0.042794 -0.032930 -0.089120 0.002108 0.001283 -0.001117 -0.008220 0.003680 -0.001653 -0.002823 -0.001653 -0.000431 0.005362 -0.003067 0.001121 0.000715 0.001276 0.000610 0.001536 0.000090 0.000263 0.000977 0.002640 -0.000582 -0.001483 -0.001384 -0.001611 -0.001079 0.000036 -0.001629 -0.002564 0.001820 0.003612 0.000223 0.003538 -0.044641 -0.037068 0.007107 0.000771 0.045014 -0.028408 -0.124087 -0.093116 0.021469 0.000669 0.087075 -0.048413 -0.135806 0.000598 0.000310 -0.000349 0.002298 -0.009661 -0.000480 0.004613 -0.001288 0.001032 -0.003709 -0.021637 0.000309 0.001160 -0.000051 0.000237 -0.003278 -0.000454 -0.000588 0.000637 -0.001659 0.002097 0.002301 0.004283 0.003030 0.000729 0.002293 0.001399 0.004487 -0.001296 -0.000714 -0.001506 -0.002992 0.134702 0.093609 -0.019678 -0.001606 -0.101207 0.048906 0.175679 0.154194 -0.030075 -0.002031 -0.129869 0.081343 0.224925 -0.002706 -0.001593 0.001466 0.005922 0.005981 0.002133 -0.001789 0.002941 -0.000601 -0.001653 0.024705 -0.001430 -0.001875 -0.001225 -0.000848 0.001742 0.000364 0.000326 -0.001614 -0.000981 -0.001516 -0.000819 -0.002899 -0.001419 0.000350 -0.002329 0.000230 -0.001923 -0.000524 -0.002898 0.001283 -0.000546 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 -0.012785 -0.019942 0.003777 0.000820 0.021622 -0.013752 -0.048711 -0.026712 0.005335 0.000338 0.025977 -0.029763 -0.028673 0.000784 -0.000465 -0.000262 -0.020442 -0.008631 -0.000563 0.003158 -0.000024 -0.000012 -0.002891 -0.012090 -0.002062 -0.002677 -0.001419 -0.001257 0.000264 -0.000815 -0.000994 -0.001988 -0.000740 0.002079 0.001228 -0.000103 0.001535 -0.001334 -0.002820 -0.001402 0.000194 0.000681 -0.002501 -0.000377 0.000117 0.026830 0.040924 -0.010051 -0.000382 -0.053895 0.030182 0.179021 0.111424 -0.027645 -0.002245 -0.112961 0.076881 0.147594 -0.003630 -0.001672 -0.002266 -0.000223 0.018682 0.001664 -0.004826 0.001268 0.000740 0.006261 0.036550 -0.000210 -0.000654 -0.000272 0.000231 0.001955 -0.000595 -0.001739 -0.000670 -0.001440 0.000654 -0.000119 -0.000218 0.000466 0.000428 -0.000363 -0.001333 0.000378 -0.000865 -0.002257 -0.004347 -0.003238 -0.107879 -0.070628 0.014792 0.001285 0.072530 -0.027074 -0.085048 -0.056440 0.012715 0.000703 0.054590 -0.051122 -0.063863 0.001746 0.001120 0.001836 0.009623 -0.008080 0.001919 0.002179 -0.000101 -0.000593 -0.001889 -0.017373 -0.000349 0.000436 -0.000008 -0.000295 -0.000435 -0.000285 0.001453 0.000426 0.000088 -0.000140 0.003536 0.000447 0.001336 0.000236 0.000636 0.002938 0.001149 -0.001181 0.000955 0.001813 -0.000298 0.0868 0.9058 0.4148 0.9906 -0.0341 -0.1328 0.1061 -0.4224 0.9002 -0.0953 -0.0932 0.1885 -12.784 -12.509 25.293 -4.562 -4.463 9.025 -4.264 -4.172 8.437 1 C 13 0.6284 0.7589 0.171 0.7429 -0.5202 -0.4213 0.2308 -0.3917 0.8907 -0.0695 -0.0658 0.1353 -9.325 -8.827 18.152 -3.327 -3.15 6.477 -3.11 -2.944 6.055 2 C 13 0.2497 -0.3893 0.8866 0.2977 0.9021 0.3123 0.9214 -0.186 -0.3412 -0.029 0.0135 0.0155 -3.892 1.808 2.084 -1.389 0.645 0.744 -1.298 0.603 0.695 3 C 13 0.2165 -0.4233 0.8797 0.7798 -0.4672 -0.4167 0.5875 0.7762 0.229 -0.0023 5.0E-4 0.0018 -1.237 0.292 0.945 -0.441 0.104 0.337 -0.413 0.098 0.315 4 H 1 0.274 -0.3657 0.8895 0.938 0.3059 -0.1632 -0.2125 0.879 0.4268 -0.1476 0.0726 0.075 -5.694 2.801 2.893 -2.032 0.999 1.032 -1.899 0.934 0.965 5 N 14 0.4716 0.8752 0.1075 0.812 -0.3834 -0.4401 0.344 -0.2948 0.8915 -0.0391 -0.0304 0.0695 -1.51 -1.171 2.681 -0.539 -0.418 0.957 -0.504 -0.391 0.894 6 N 14 0.8464 0.39 -0.3626 -0.2505 0.8925 0.3752 0.4699 -0.2267 0.8531 -0.1507 -0.1462 0.2969 -20.226 -19.614 39.841 -7.217 -6.999 14.216 -6.747 -6.543 13.289 7 C 13 0.8264 0.5094 -0.2398 -0.4115 0.8372 0.3602 0.3843 -0.199 0.9015 -0.1099 -0.1043 0.2141 -14.745 -13.992 28.737 -5.261 -4.993 10.254 -4.918 -4.667 9.586 8 C 13 0.4501 -0.1962 0.8711 0.8096 0.5013 -0.3054 -0.3768 0.8427 0.3845 -0.0472 0.0223 0.0249 -6.337 2.998 3.339 -2.261 1.07 1.192 -2.114 1.0 1.114 9 C 13 0.4369 -0.1927 0.8786 0.0913 0.9812 0.1698 0.8949 -0.006 -0.4463 -0.0033 8.0E-4 0.0025 -1.762 0.439 1.323 -0.629 0.157 0.472 -0.588 0.146 0.441 10 H 1 0.433 -0.2071 0.8773 0.8374 0.4525 -0.3065 -0.3335 0.8674 0.3693 -0.1985 0.0982 0.1003 -7.656 3.786 3.87 -2.732 1.351 1.381 -2.554 1.263 1.291 11 N 14 0.8484 0.4546 -0.2712 -0.3046 0.8382 0.4523 0.433 -0.3011 0.8496 -0.0735 -0.0652 0.1386 -2.833 -2.514 5.347 -1.011 -0.897 1.908 -0.945 -0.839 1.784 12 N 14 0.7199 0.6733 -0.1685 -0.5906 0.7218 0.3609 0.3646 -0.1603 0.9172 -0.1505 -0.1443 0.2948 -25.765 -24.703 50.468 -9.193 -8.815 18.008 -8.594 -8.24 16.834 13 B 11 0.4459 -0.3092 0.84 0.1858 0.95 0.251 0.8756 -0.0442 -0.481 -0.0053 0.0012 0.0041 -0.903 0.208 0.696 -0.322 0.074 0.248 -0.301 0.069 0.232 14 B 11 0.3492 -0.2868 0.8921 0.4894 0.8676 0.0874 0.7991 -0.4061 -0.4433 -0.0026 2.0E-4 0.0024 -1.391 0.085 1.306 -0.496 0.03 0.466 -0.464 0.028 0.436 15 H 1 0.746 -0.3563 0.5627 0.5197 0.8398 -0.1572 -0.4165 0.4097 0.8116 -0.0027 -9.0E-4 0.0036 -1.441 -0.456 1.897 -0.514 -0.163 0.677 -0.481 -0.152 0.633 16 H 1 0.7549 0.628 -0.189 0.4212 -0.2435 0.8737 -0.5027 0.7391 0.4483 -0.0252 0.0031 0.022 -13.43 1.672 11.758 -4.792 0.597 4.196 -4.48 0.558 3.922 17 H 1 0.7085 0.5625 -0.4262 -0.2586 0.7688 0.5848 0.6566 -0.3041 0.6902 -0.0144 -0.0129 0.0273 -1.934 -1.732 3.665 -0.69 -0.618 1.308 -0.645 -0.578 1.223 18 C 13 0.7511 0.4996 -0.4316 -0.6132 0.7701 -0.1758 0.2446 0.3967 0.8848 -0.003 -5.0E-4 0.0035 -1.592 -0.25 1.842 -0.568 -0.089 0.657 -0.531 -0.084 0.614 19 H 1 0.7218 -0.2834 0.6314 -0.6223 0.1335 0.7713 0.3029 0.9497 0.08 -0.0083 0.0025 0.0058 -1.112 0.333 0.779 -0.397 0.119 0.278 -0.371 0.111 0.26 20 C 13 0.9683 -0.0029 -0.2496 0.0085 0.9997 0.0212 0.2495 -0.0227 0.9681 -0.002 -0.0013 0.0033 -1.057 -0.688 1.745 -0.377 -0.246 0.623 -0.352 -0.23 0.582 21 H 1 -0.617 0.1877 0.7642 0.77 0.3445 0.5371 -0.1625 0.9199 -0.357 -0.0013 1.0E-4 0.0013 -0.18 0.011 0.17 -0.064 0.004 0.061 -0.06 0.004 0.057 22 C 13 -0.4532 0.2007 0.8685 0.3122 0.9484 -0.0562 0.835 -0.2456 0.4925 -0.0054 -0.0045 0.0099 0.388 0.329 -0.717 0.138 0.117 -0.256 0.129 0.11 -0.239 23 O 17 0.8336 0.0935 -0.5443 0.0694 0.96 0.2713 0.5479 -0.2639 0.7938 -0.0283 -0.0274 0.0557 2.047 1.984 -4.031 0.73 0.708 -1.438 0.683 0.662 -1.345 24 O 17 0.4293 0.5367 0.7264 -0.4697 -0.5543 0.6871 0.7714 -0.6362 0.0141 -0.0018 -0.001 0.0028 -0.243 -0.135 0.378 -0.087 -0.048 0.135 -0.081 -0.045 0.126 25 C 13 0.4349 0.2424 0.8672 0.5968 0.6436 -0.4792 -0.6743 0.726 0.1352 -0.0021 -0.0016 0.0037 -1.11 -0.878 1.989 -0.396 -0.313 0.71 -0.37 -0.293 0.663 26 H 1 0.2631 0.303 0.9159 0.4682 0.79 -0.3959 0.8435 -0.533 -0.066 -0.0013 -9.0E-4 0.0022 -0.697 -0.474 1.171 -0.249 -0.169 0.418 -0.232 -0.158 0.391 27 H 1 0.2881 0.5069 0.8124 0.599 0.5665 -0.5659 0.7471 -0.6497 0.1404 -9.0E-4 -8.0E-4 0.0017 -0.507 -0.425 0.932 -0.181 -0.152 0.333 -0.169 -0.142 0.311 28 H 1 -0.1025 0.987 0.1234 0.7201 0.1593 -0.6754 0.6863 -0.0196 0.7271 -0.0034 -2.0E-4 0.0036 -1.793 -0.128 1.92 -0.64 -0.046 0.685 -0.598 -0.043 0.641 29 H 1 0.5934 0.7268 0.3459 0.342 -0.6167 0.7091 0.7287 -0.3024 -0.6145 -0.0013 3.0E-4 9.0E-4 -0.168 0.044 0.125 -0.06 0.016 0.045 -0.056 0.015 0.042 30 C 13 0.2959 -0.6432 0.7062 0.7403 0.6217 0.256 -0.6037 0.447 0.6601 -0.0017 -0.0012 0.0029 -0.921 -0.626 1.547 -0.329 -0.223 0.552 -0.307 -0.209 0.516 31 H 1 0.2739 0.0562 0.9601 0.6263 0.7472 -0.2224 0.7299 -0.6622 -0.1695 -0.0018 -0.0012 0.0029 -0.95 -0.617 1.567 -0.339 -0.22 0.559 -0.317 -0.206 0.523 32 H 1 0.2596 0.9027 0.3432 0.2397 -0.4045 0.8826 0.9355 -0.1468 -0.3214 -0.0018 -0.0014 0.0033 -0.981 -0.754 1.735 -0.35 -0.269 0.619 -0.327 -0.251 0.579 33 H 1 0.676 -0.3429 -0.6522 0.5565 -0.3425 0.7569 0.483 0.8747 0.0407 -0.0023 -0.001 0.0032 -0.304 -0.13 0.435 -0.109 -0.047 0.155 -0.101 -0.043 0.145 34 C 13 0.3845 -0.542 0.7473 0.9101 0.0871 -0.405 0.1544 0.8358 0.5268 -0.0034 -0.0013 0.0048 -1.838 -0.7 2.538 -0.656 -0.25 0.906 -0.613 -0.234 0.847 35 H 1 0.1332 -0.0592 0.9893 0.9909 0.0286 -0.1317 -0.0205 0.9978 0.0625 -0.003 -0.0014 0.0043 -1.577 -0.724 2.301 -0.563 -0.259 0.821 -0.526 -0.242 0.768 36 H 1 0.9522 -0.2346 -0.1959 0.1205 -0.3009 0.946 0.2809 0.9243 0.2583 -0.0021 -0.0018 0.0039 -1.113 -0.952 2.065 -0.397 -0.34 0.737 -0.371 -0.318 0.689 37 H 1 0.8629 0.4582 -0.213 0.192 0.0926 0.977 -0.4674 0.884 0.0081 -0.0019 5.0E-4 0.0014 -0.254 0.061 0.193 -0.091 0.022 0.069 -0.085 0.02 0.064 38 C 13 -0.024 -0.1479 0.9887 0.8306 0.5475 0.102 -0.5564 0.8237 0.1097 -0.0024 -0.0019 0.0043 -1.289 -0.996 2.285 -0.46 -0.356 0.815 -0.43 -0.332 0.762 39 H 1 0.7475 -0.2135 0.6291 0.5908 0.6466 -0.4826 -0.3037 0.7324 0.6094 -0.0024 -0.0021 0.0044 -1.254 -1.107 2.361 -0.447 -0.395 0.842 -0.418 -0.369 0.787 40 H 1 0.8807 0.0511 -0.471 0.4724 -0.1689 0.865 0.0353 0.9843 0.1729 -0.0028 -0.0019 0.0047 -1.47 -1.035 2.505 -0.524 -0.369 0.894 -0.49 -0.345 0.836 41 H 1 -0.0126 0.8127 0.5825 0.4689 -0.5097 0.7213 0.8832 0.2822 -0.3747 -0.0022 -3.0E-4 0.0024 -0.289 -0.034 0.323 -0.103 -0.012 0.115 -0.096 -0.011 0.108 42 C 13 0.2711 -0.082 0.9591 0.4034 0.9143 -0.0358 0.8739 -0.3966 -0.281 -0.0036 -0.0019 0.0055 -1.93 -0.99 2.92 -0.689 -0.353 1.042 -0.644 -0.33 0.974 43 H 1 0.6455 -0.3821 0.6613 0.4339 0.896 0.0941 -0.6285 0.2262 0.7442 -0.004 -0.0015 0.0055 -2.138 -0.799 2.937 -0.763 -0.285 1.048 -0.713 -0.267 0.98 44 H 1 1.47315346e-01 2.93501507e-01 -9.43591669e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 6 6 6 1 7 7 6 6 6 1 7 7 5 5 1 1 1 6 1 6 1 6 8 8 6 1 1 1 1 6 1 1 1 6 1 1 1 6 1 1 1 6 1 1 1 0.019526330 0.009574131 0.000878234 -0.019614277 0.008630304 -0.001851172 -0.001674493 -0.003391646 -0.005579617 -0.000372433 0.000205646 0.001230448 0.004094217 0.006024811 0.004579060 -0.004869110 0.001966325 0.002633485 0.017130019 -0.003605052 0.003594818 -0.016877591 -0.010921204 0.002411037 -0.001687368 0.004841804 0.005242936 0.000452914 -0.000713203 -0.001387240 0.003564737 -0.014300493 -0.000256490 -0.001040386 -0.007544947 -0.002391996 0.001931581 0.004781196 -0.000611063 0.002320795 0.002680947 -0.000555732 -0.004508851 -0.001113333 0.001873710 -0.000285114 -0.000464316 0.000126704 0.004154051 0.000352247 0.001534461 0.000365403 0.000143246 -0.000254468 0.000227936 -0.000089429 0.000055469 0.000253072 -0.000565657 0.000217801 0.000220852 0.000183796 0.000194284 -0.004873812 0.009283502 -0.003622261 0.005707562 -0.003167633 0.002221839 0.001105424 -0.004260179 0.001094975 -0.001253500 0.001377878 -0.002848703 0.000046830 0.000359534 -0.000466751 0.001556748 0.000072917 -0.001114969 0.000399263 -0.000099532 0.000584127 -0.000479840 -0.000312317 0.000078539 0.047473769 -0.010235230 0.004568172 -0.008167900 -0.007979979 -0.017389457 -0.011685690 -0.010866720 0.013807860 -0.003358996 0.018556618 0.001392170 -0.043423929 -0.024231827 -0.004653557 0.011259474 -0.006020923 0.017954019 0.013336552 -0.006006046 -0.015344005 -0.002686785 0.018685101 0.000137278 0.042402758 0.025754033 -0.002772679 -0.014148914 0.008840760 0.012827588 -0.011631404 0.001716741 -0.018053176 0.002934352 -0.018319401 0.004145647 -0.047774975 0.011483599 -0.012613067 0.010255576 0.005084293 -0.012476784 0.007087594 0.012067345 0.017569793 0.002607560 -0.018457705 0.003288733 0.047774975 0.011324561 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 0.7725 0.7749 0.7722 0.7718 0.7718 0.7716 0.7712 0.7707 0.7706 0.7707 0.7704 0.7703 0.7703 0.7702 0.7702 0.7702 0.7700 0.7700 0.7700 0.7700 0.7701 0.7701 0.7702 0.7702 0.7702 0.7703 0.7703 0.7702 0.7702 0.7702 0.7703 0.7703 0.7704 0.7704 0.7704 0.7703 0.7703 0.7703 0.7703 0.7703 0.7703 0.7703 0.7703 0.7703 open 1 1 1 -965.560957565473 -965.560957994838 -0.000000429364 -965.560958025253 -0.000000030415 -965.560958026276 -0.000000001023 -965.560958026819 -0.000000000543 -965.560958026868 -0.000000000049 -965.560958026839 0.000000000029 -965.560958027 7 0.7703 9.553745296239e+02 -6.040661375512e+03 2.220285966652e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572456720 LenY= 1572258250 Requested convergence on RMS density matrix=1.00D-08 within 32 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. 0.7703 (Enter /usr/local/CompChem/Gaussian/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 35 36 37 38 39 40 41 42 43 44 45 C C C H N N C C C H N N B B H H H C H C H C O O C H H H H C H H H C H H H C H H H C H H H 13 13 13 1 14 14 13 13 13 1 14 14 11 11 1 1 1 13 1 13 1 13 17 17 13 1 1 1 1 13 1 1 1 13 1 1 1 13 1 1 1 13 1 1 1 0.03202 0.01905 -0.01406 0.00026 -0.05989 0.00967 0.03774 0.02271 -0.01581 0.00024 -0.06662 0.01526 0.05869 -0.00298 0.00170 0.00402 -0.00806 0.01316 -0.00107 0.00047 0.00061 0.00194 0.00462 0.01074 0.00014 0.00003 0.00000 0.00000 -0.00104 -0.00548 0.00260 0.00282 0.00007 -0.00703 0.00254 0.00260 0.00010 -0.00672 0.00335 0.00316 0.00008 -0.00897 0.00314 0.00338 0.00013 35.99356 21.41807 -15.80425 1.17227 -19.35128 3.12593 42.42649 25.52644 -17.77447 1.08425 -21.52617 4.93071 84.18537 -4.28111 7.58905 17.96494 -36.04859 14.78898 -4.76087 0.52960 2.74757 2.18001 -2.79774 -6.51009 0.15748 0.11987 0.00668 0.00244 -4.64823 -6.16042 11.64285 12.60391 0.29952 -7.90683 11.35303 11.61813 0.46186 -7.55564 14.96997 14.14096 0.35077 -10.08705 14.03274 15.12027 0.57609 12.84340 7.64250 -5.63935 0.41829 -6.90502 1.11541 15.13883 9.10847 -6.34237 0.38689 -7.68107 1.75940 30.03943 -1.52761 2.70796 6.41034 -12.86303 5.27708 -1.69880 0.18897 0.98040 0.77788 -0.99830 -2.32296 0.05619 0.04277 0.00238 0.00087 -1.65861 -2.19819 4.15446 4.49739 0.10688 -2.82135 4.05104 4.14564 0.16480 -2.69604 5.34166 5.04585 0.12516 -3.59931 5.00723 5.39529 0.20556 12.00616 7.14430 -5.27173 0.39103 -6.45489 1.04270 14.15195 8.51470 -5.92892 0.36167 -7.18036 1.64471 28.08122 -1.42802 2.53143 5.99246 -12.02451 4.93307 -1.58806 0.17666 0.91649 0.72717 -0.93323 -2.17153 0.05253 0.03998 0.00223 0.00081 -1.55048 -2.05490 3.88364 4.20421 0.09991 -2.63743 3.78696 3.87539 0.15406 -2.52029 4.99344 4.71692 0.11700 -3.36468 4.68082 5.04358 0.19216 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 -0.052713 -0.032129 0.007404 0.000055 0.035766 -0.017566 -0.049881 -0.031594 0.004910 0.000512 0.036098 -0.026863 -0.066569 0.001260 0.001691 -0.000154 0.008755 -0.016931 -0.001602 0.002851 -0.002845 -0.002207 0.001455 -0.032695 0.002031 0.001977 0.001620 0.001146 0.004138 0.001515 0.000778 0.002390 0.002305 -0.000945 -0.001872 -0.000421 -0.001869 0.000622 0.002119 -0.000055 -0.001143 0.001700 0.004492 0.000940 0.002342 -0.082121 -0.061428 0.011249 0.001677 0.067819 -0.041098 -0.109072 -0.078468 0.012736 0.001472 0.080757 -0.058045 -0.144667 0.001121 0.000311 -0.000471 -0.017977 -0.034170 -0.001850 0.016787 -0.001119 0.000487 -0.008359 -0.040408 -0.000512 -0.000404 -0.000695 -0.000293 -0.005191 -0.001461 -0.001173 -0.000780 -0.001378 0.003251 0.002532 0.003321 0.003295 -0.000266 -0.000242 -0.000395 0.002458 -0.000064 -0.001448 -0.001099 -0.001233 0.134834 0.093558 -0.018654 -0.001732 -0.103585 0.058663 0.158953 0.110062 -0.017646 -0.001984 -0.116855 0.084908 0.211236 -0.002381 -0.002002 0.000625 0.009222 0.051102 0.003452 -0.019638 0.003964 0.001720 0.006904 0.073103 -0.001518 -0.001572 -0.000925 -0.000853 0.001053 -0.000054 0.000395 -0.001610 -0.000927 -0.002306 -0.000660 -0.002900 -0.001426 -0.000356 -0.001877 0.000450 -0.001315 -0.001637 -0.003044 0.000159 -0.001109 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 -0.022152 -0.014898 0.003417 0.000484 0.015495 -0.005748 -0.014351 -0.013527 0.000459 0.001119 0.012723 -0.011303 -0.024057 0.000483 -0.000243 0.000122 -0.016199 -0.013351 -0.004417 0.002897 -0.000415 0.000133 -0.005439 -0.007981 -0.001339 -0.001920 -0.000632 -0.001044 0.002712 -0.000474 -0.000253 -0.001084 0.001217 -0.000308 -0.000715 -0.002270 -0.000904 -0.001958 -0.002094 -0.001404 -0.002101 0.001859 0.001158 0.001361 0.002416 0.097734 0.071818 -0.014515 -0.000881 -0.084881 0.041986 0.132189 0.096602 -0.015290 -0.001437 -0.101914 0.070494 0.169600 -0.003136 -0.001199 -0.002106 -0.006081 0.046679 -0.000408 -0.013824 0.000770 0.001185 0.013042 0.039071 0.000179 -0.000541 0.000000 0.000441 0.000925 -0.000939 -0.002105 -0.000702 -0.001452 0.000142 -0.001593 -0.000137 -0.000197 -0.000715 -0.000604 -0.002114 -0.000491 -0.001837 -0.001683 -0.004025 -0.002053 -0.055802 -0.032210 0.006301 0.000724 0.036267 -0.014605 -0.027084 -0.022875 0.002207 -0.000489 0.027876 -0.015808 -0.045265 0.000686 0.000309 0.000660 0.005977 -0.024962 0.003265 0.005851 0.000237 0.001566 -0.006410 -0.021123 -0.000168 0.000244 -0.000011 -0.000258 -0.001668 -0.000061 0.000637 0.000049 -0.000526 0.001256 0.003155 0.000622 0.001618 0.000943 0.000473 0.001477 0.001491 -0.001101 -0.000135 -0.000681 -0.001181 -0.4692 0.7926 0.3895 0.7962 0.5704 -0.2016 0.3819 -0.2156 0.8987 -0.0964 -0.0933 0.1898 -12.94 -12.523 25.463 -4.617 -4.469 9.086 -4.316 -4.177 8.494 1 C 13 0.1455 0.9807 0.1309 0.9019 -0.0771 -0.425 0.4067 -0.1799 0.8957 -0.0679 -0.0647 0.1326 -9.117 -8.682 17.798 -3.253 -3.098 6.351 -3.041 -2.896 5.937 2 C 13 0.4026 -0.1861 0.8962 -0.2439 0.9219 0.3011 0.8823 0.3398 -0.3258 -0.0265 0.0124 0.0141 -3.554 1.664 1.889 -1.268 0.594 0.674 -1.185 0.555 0.63 3 C 13 0.3833 -0.2114 0.8991 0.9049 -0.1094 -0.4114 0.1853 0.9713 0.1494 -0.0023 4.0E-4 0.0019 -1.215 0.212 1.004 -0.434 0.076 0.358 -0.405 0.071 0.335 4 H 1 0.4197 -0.1774 0.8902 0.5902 0.7984 -0.1191 0.6896 -0.5754 -0.4398 -0.1508 0.0739 0.077 -5.817 2.849 2.968 -2.076 1.016 1.059 -1.94 0.95 0.99 5 N 14 -0.0323 0.9874 0.1549 0.9156 0.0914 -0.3916 0.4008 -0.1292 0.907 -0.0432 -0.0361 0.0793 -1.666 -1.392 3.058 -0.595 -0.497 1.091 -0.556 -0.464 1.02 6 N 14 0.8405 0.3985 -0.367 -0.3237 0.9126 0.2497 0.4344 -0.0911 0.8961 -0.1144 -0.1114 0.2258 -15.351 -14.948 30.299 -5.478 -5.334 10.811 -5.121 -4.986 10.107 7 C 13 0.5892 0.7822 -0.2024 0.671 -0.6133 -0.4166 0.45 -0.1096 0.8863 -0.0827 -0.0792 0.1619 -11.103 -10.629 21.731 -3.962 -3.793 7.754 -3.703 -3.545 7.249 8 C 13 0.4493 -0.0569 0.8916 0.7056 0.6347 -0.3151 -0.5479 0.7707 0.3253 -0.0255 0.0122 0.0133 -3.421 1.63 1.79 -1.221 0.582 0.639 -1.141 0.544 0.597 9 C 13 0.4164 -0.0052 0.9092 0.68 -0.6619 -0.3153 0.6034 0.7495 -0.2721 -0.0026 1.0E-4 0.0026 -1.408 0.047 1.361 -0.502 0.017 0.486 -0.47 0.016 0.454 10 H 1 0.4434 -0.1205 0.8882 0.3565 0.9329 -0.0514 0.8224 -0.3395 -0.4566 -0.1715 0.0841 0.0874 -6.615 3.243 3.372 -2.36 1.157 1.203 -2.206 1.082 1.125 11 N 14 0.706 0.6568 -0.2648 -0.5593 0.7465 0.3605 0.4344 -0.1064 0.8944 -0.0638 -0.0572 0.121 -2.461 -2.206 4.668 -0.878 -0.787 1.666 -0.821 -0.736 1.557 12 N 14 0.4386 0.8938 -0.0935 0.7915 -0.4334 -0.431 0.4257 -0.115 0.8975 -0.1517 -0.1457 0.2975 -25.98 -24.954 50.934 -9.27 -8.904 18.174 -8.666 -8.324 16.99 13 B 11 0.4945 -0.1519 0.8558 0.0397 0.9875 0.1523 0.8683 0.0414 -0.4944 -0.0043 0.0012 0.0031 -0.739 0.213 0.525 -0.264 0.076 0.187 -0.246 0.071 0.175 14 B 11 0.2771 -0.085 0.9571 0.1941 0.9805 0.0308 0.941 -0.1773 -0.2882 -0.0024 3.0E-4 0.0021 -1.268 0.146 1.123 -0.453 0.052 0.401 -0.423 0.049 0.374 15 H 1 0.7105 -0.3129 0.6303 0.3351 0.9381 0.088 -0.6188 0.1487 0.7714 -0.0021 -4.0E-4 0.0024 -1.108 -0.195 1.303 -0.395 -0.07 0.465 -0.37 -0.065 0.435 16 H 1 0.4104 0.9081 -0.0836 0.5299 -0.1629 0.8323 0.7422 -0.3859 -0.548 -0.0258 0.0042 0.0217 -13.792 2.231 11.561 -4.921 0.796 4.125 -4.6 0.744 3.856 17 H 1 0.6007 0.7945 -0.0887 0.6665 -0.559 -0.4932 0.4414 -0.2372 0.8654 -0.0415 -0.0403 0.0818 -5.566 -5.404 10.971 -1.986 -1.928 3.915 -1.857 -1.803 3.659 18 C 13 0.6371 0.7403 -0.2146 0.6845 -0.4154 0.599 -0.3543 0.5285 0.7714 -0.0066 7.0E-4 0.0059 -3.52 0.385 3.135 -1.256 0.137 1.119 -1.174 0.128 1.046 19 H 1 0.4253 -0.1469 0.8931 0.902 -0.0121 -0.4315 0.0742 0.9891 0.1273 -0.0272 0.0094 0.0178 -3.648 1.265 2.383 -1.302 0.451 0.85 -1.217 0.422 0.795 20 C 13 0.9678 0.2243 -0.114 -0.227 0.9738 -0.0112 0.1086 0.0367 0.9934 -0.003 -0.001 0.0041 -1.618 -0.547 2.165 -0.577 -0.195 0.772 -0.54 -0.182 0.722 21 H 1 0.9462 0.1139 -0.3028 -0.2532 0.8433 -0.474 0.2014 0.5252 0.8268 -0.0026 -4.0E-4 0.003 -0.345 -0.058 0.403 -0.123 -0.021 0.144 -0.115 -0.019 0.134 22 C 13 0.2547 0.9541 0.1573 0.7536 -0.0939 -0.6506 0.606 -0.2842 0.7429 -0.0109 -0.0091 0.02 0.786 0.66 -1.447 0.281 0.236 -0.516 0.262 0.22 -0.483 23 O 17 0.8597 0.4707 -0.1984 -0.4065 0.8656 0.2923 0.3093 -0.1706 0.9355 -0.0461 -0.0438 0.0899 3.334 3.169 -6.503 1.19 1.131 -2.321 1.112 1.057 -2.169 24 O 17 0.0201 0.1853 0.9825 0.3985 0.8998 -0.1779 0.9169 -0.3951 0.0558 -0.0015 -0.0011 0.0026 -0.208 -0.144 0.351 -0.074 -0.051 0.125 -0.069 -0.048 0.117 25 C 13 0.2291 0.1638 0.9595 0.4413 0.8611 -0.2524 0.8676 -0.4813 -0.125 -0.0017 -0.0015 0.0031 -0.886 -0.779 1.664 -0.316 -0.278 0.594 -0.295 -0.26 0.555 26 H 1 0.0365 0.1472 0.9884 0.2447 0.9577 -0.1516 0.9689 -0.2474 0.0011 -9.0E-4 -9.0E-4 0.0018 -0.494 -0.456 0.95 -0.176 -0.163 0.339 -0.165 -0.152 0.317 27 H 1 -0.0711 0.2628 0.9622 0.4905 0.8492 -0.1956 0.8685 -0.4581 0.1893 -0.001 -8.0E-4 0.0018 -0.51 -0.446 0.957 -0.182 -0.159 0.341 -0.17 -0.149 0.319 28 H 1 -0.2621 0.9342 0.2422 -0.0621 -0.2668 0.9618 0.9631 0.237 0.1279 -0.0064 0.0015 0.0049 -3.406 0.777 2.63 -1.215 0.277 0.938 -1.136 0.259 0.877 29 H 1 0.1979 0.9668 0.1614 0.3773 -0.2271 0.8978 0.9047 -0.1168 -0.4097 -0.0016 -4.0E-4 0.002 -0.21 -0.058 0.269 -0.075 -0.021 0.096 -0.07 -0.019 0.09 30 C 13 0.5082 -0.5428 0.6686 0.4691 0.8256 0.3137 0.7223 -0.1542 -0.6742 -0.0017 -0.0011 0.0028 -0.919 -0.573 1.492 -0.328 -0.205 0.532 -0.306 -0.191 0.498 31 H 1 0.2113 0.1869 0.9594 0.2459 0.9398 -0.2372 0.946 -0.286 -0.1526 -0.0018 -0.0011 0.0028 -0.936 -0.574 1.511 -0.334 -0.205 0.539 -0.312 -0.192 0.504 32 H 1 -0.1862 0.9447 0.2699 0.4023 -0.1773 0.8982 0.8964 0.2758 -0.347 -0.0018 -0.0015 0.0032 -0.943 -0.786 1.729 -0.337 -0.281 0.617 -0.315 -0.262 0.577 33 H 1 -0.1227 -0.2144 0.969 0.9906 0.0331 0.1328 -0.0605 0.9762 0.2083 -0.0026 -9.0E-4 0.0035 -0.349 -0.126 0.475 -0.125 -0.045 0.169 -0.116 -0.042 0.158 34 C 13 0.6168 -0.3114 0.723 0.757 0.4863 -0.4364 -0.2157 0.8164 0.5357 -0.0034 -0.0014 0.0048 -1.802 -0.754 2.556 -0.643 -0.269 0.912 -0.601 -0.251 0.853 35 H 1 -0.0501 -0.1163 0.9919 0.9046 0.4157 0.0944 -0.4233 0.9021 0.0844 -0.003 -0.0015 0.0044 -1.583 -0.789 2.371 -0.565 -0.281 0.846 -0.528 -0.263 0.791 36 H 1 0.8516 0.2781 -0.4444 0.5002 -0.1776 0.8475 -0.1567 0.944 0.2903 -0.0021 -0.0019 0.0039 -1.1 -1.004 2.103 -0.392 -0.358 0.751 -0.367 -0.335 0.702 37 H 1 0.5549 0.799 -0.2316 0.4271 -0.0348 0.9035 0.7139 -0.6003 -0.3606 -0.0019 -7.0E-4 0.0026 -0.255 -0.098 0.353 -0.091 -0.035 0.126 -0.085 -0.033 0.118 38 C 13 0.0248 -0.2318 0.9725 0.5209 0.8333 0.1853 0.8533 -0.502 -0.1414 -0.002 -0.0014 0.0035 -1.07 -0.772 1.841 -0.382 -0.275 0.657 -0.357 -0.257 0.614 39 H 1 0.7793 0.1203 0.6149 0.211 0.8737 -0.4383 -0.59 0.4714 0.6555 -0.0019 -0.0015 0.0034 -1.035 -0.787 1.822 -0.369 -0.281 0.65 -0.345 -0.263 0.608 40 H 1 0.7924 0.4799 -0.3767 0.4669 -0.0796 0.8807 -0.3926 0.8737 0.2872 -0.0022 -0.0017 0.0039 -1.164 -0.912 2.077 -0.415 -0.326 0.741 -0.388 -0.304 0.693 41 H 1 0.3333 0.1656 0.9282 -0.5191 0.854 0.0341 0.7871 0.4932 -0.3705 -0.0025 -0.0012 0.0037 -0.334 -0.166 0.501 -0.119 -0.059 0.179 -0.112 -0.055 0.167 42 C 13 0.2165 -0.0606 0.9744 -0.1589 0.9826 0.0964 0.9633 0.1757 -0.203 -0.0034 -0.0016 0.0051 -1.819 -0.88 2.699 -0.649 -0.314 0.963 -0.607 -0.293 0.9 43 H 1 0.6847 -0.1826 0.7056 -0.049 0.9544 0.2945 0.7272 0.2363 -0.6445 -0.0036 -0.0014 0.005 -1.906 -0.736 2.641 -0.68 -0.262 0.942 -0.636 -0.245 0.881 44 H 1 PT75015.500S 2024-12-19T13:23:30.000 -19.29763 -19.23425 -14.51560 -14.51417 -14.49833 -14.49548 -10.41950 -10.35220 -10.33985 -10.33892 -10.33749 -10.33738 -10.30564 -10.30457 -10.30386 -10.30379 -10.30228 -10.29891 -10.29167 -10.29090 -6.85600 -6.83575 -1.19700 -1.16550 -1.14851 -1.09993 -0.94865 -0.93812 -0.91152 -0.88790 -0.88199 -0.81652 -0.81096 -0.80951 -0.80641 -0.80090 -0.72160 -0.70847 -0.68327 -0.68170 -0.66905 -0.64815 -0.64730 -0.62023 -0.59149 -0.58622 -0.57534 -0.56902 -0.56048 -0.55492 -0.53149 -0.52341 -0.52034 -0.51764 -0.51286 -0.51077 -0.50868 -0.50462 -0.50244 -0.49352 -0.48874 -0.48525 -0.48262 -0.48028 -0.47765 -0.47295 -0.46048 -0.45017 -0.44153 -0.43848 -0.43755 -0.42472 -0.40354 -0.38430 -0.37307 -0.35716 -0.35424 -0.34032 -0.33456 -0.30750 -0.16911 0.02835 0.04742 0.11042 0.13171 0.13721 0.14159 0.14755 0.15268 0.15594 0.16510 0.16737 0.17477 0.18043 0.18793 0.18951 0.19260 0.19846 0.20630 0.20786 0.21543 0.21758 0.22827 0.23280 0.23458 0.23788 0.24131 0.24985 0.25353 0.26210 0.26393 0.26818 0.28545 0.29521 0.30496 0.30646 0.31111 0.31772 0.33552 0.34223 0.34480 0.35191 0.36014 0.37050 0.38458 0.38636 0.39510 0.40365 0.41071 0.41803 0.42790 0.44215 0.44951 0.46675 0.46976 0.47905 0.48704 0.49949 0.50349 0.51004 0.51256 0.51913 0.52344 0.53077 0.53554 0.54728 0.55151 0.55703 0.55953 0.56522 0.57264 0.57756 0.58414 0.59362 0.60108 0.61193 0.61671 0.62823 0.64111 0.65549 0.67285 0.67668 0.68072 0.68790 0.70240 0.70762 0.71497 0.71985 0.72524 0.72794 0.73372 0.73621 0.73879 0.74328 0.74658 0.74835 0.75132 0.75548 0.75924 0.76425 0.76677 0.77225 0.77661 0.77759 0.78279 0.78553 0.78804 0.78957 0.79874 0.80125 0.80706 0.80982 0.81720 0.82973 0.83605 0.83951 0.85001 0.86090 0.86630 0.87303 0.88620 0.88652 0.89146 0.89316 0.90454 0.91335 0.93300 0.94172 0.94862 0.96195 0.98018 0.98822 0.99824 1.01689 1.02926 1.04300 1.06001 1.08265 1.08813 1.11321 1.12792 1.13665 1.14870 1.15588 1.16335 1.17054 1.18503 1.20416 1.21994 1.22272 1.24184 1.24307 1.25066 1.25994 1.26628 1.26916 1.27993 1.29946 1.31880 1.32437 1.33226 1.34064 1.34993 1.36191 1.38399 1.39633 1.42262 1.42920 1.43530 1.44691 1.44870 1.47529 1.48646 1.50494 1.51900 1.53517 1.55953 1.58205 1.59726 1.60596 1.60952 1.61128 1.61655 1.62104 1.62332 1.62461 1.63245 1.63610 1.64887 1.65408 1.67401 1.67659 1.68368 1.69203 1.69858 1.71978 1.72082 1.73041 1.76054 1.77867 1.79106 1.79812 1.80908 1.81305 1.82123 1.82507 1.83172 1.83890 1.84452 1.85837 1.86346 1.86673 1.87043 1.87672 1.88032 1.88377 1.88440 1.88710 1.88825 1.89165 1.89499 1.90123 1.91349 1.92162 1.93225 1.93844 1.94017 1.95813 1.96471 1.97393 2.00314 2.01031 2.01510 2.02916 2.03041 2.04430 2.04714 2.06188 2.07998 2.08947 2.10619 2.11115 2.12074 2.13401 2.14692 2.15797 2.17294 2.17483 2.18496 2.19179 2.20191 2.21128 2.21508 2.23507 2.24269 2.26242 2.26786 2.28936 2.29339 2.31246 2.33428 2.33712 2.34138 2.35062 2.36300 2.36909 2.37502 2.38916 2.39246 2.40515 2.41749 2.45075 2.45584 2.47400 2.48050 2.50859 2.52308 2.53402 2.54466 2.55225 2.56047 2.56355 2.57735 2.58048 2.58842 2.60401 2.61209 2.62698 2.62978 2.64559 2.66530 2.67141 2.67695 2.73072 2.75120 2.75457 2.76843 2.77495 2.78576 2.79658 2.80020 2.82279 2.82818 2.83267 2.83930 2.84219 2.84525 2.86105 2.88073 2.90666 2.90884 2.92211 2.93198 2.94412 2.97990 3.00136 3.02704 3.03322 3.03618 3.04297 3.05350 3.05750 3.07311 3.09013 3.12860 3.13614 3.14479 3.15731 3.20449 3.23886 3.24943 3.29504 3.32156 3.35443 3.40858 3.43035 3.45655 3.47503 3.56763 3.57281 3.67674 3.73589 3.79344 -19.29752 -19.23370 -14.51738 -14.51618 -14.49768 -14.49449 -10.41951 -10.35220 -10.33842 -10.33678 -10.33575 -10.33485 -10.30481 -10.30477 -10.30401 -10.30391 -10.30255 -10.29907 -10.29215 -10.29136 -6.85199 -6.83584 -1.19665 -1.16482 -1.14797 -1.09906 -0.94613 -0.93596 -0.90841 -0.88555 -0.88140 -0.81482 -0.81009 -0.80887 -0.80616 -0.80024 -0.72016 -0.70701 -0.68250 -0.67525 -0.66737 -0.64783 -0.64385 -0.61943 -0.59112 -0.58286 -0.57363 -0.56599 -0.55773 -0.55307 -0.52841 -0.52279 -0.51951 -0.51570 -0.51208 -0.50886 -0.50557 -0.50338 -0.50091 -0.49286 -0.48709 -0.48432 -0.48171 -0.47987 -0.47747 -0.47232 -0.45809 -0.44971 -0.44041 -0.43740 -0.43471 -0.42314 -0.40002 -0.38261 -0.36160 -0.35538 -0.34950 -0.33586 -0.32844 -0.29933 0.01429 0.04198 0.06979 0.12535 0.13743 0.14212 0.14695 0.15005 0.15326 0.15797 0.16727 0.17004 0.17520 0.18105 0.18883 0.19090 0.19282 0.19889 0.20790 0.21223 0.21617 0.21846 0.22881 0.23349 0.23467 0.23858 0.24247 0.25167 0.25530 0.26281 0.26589 0.26853 0.28665 0.29801 0.30656 0.30820 0.31395 0.31889 0.33665 0.34381 0.34692 0.35353 0.36201 0.37209 0.38597 0.38692 0.39855 0.40777 0.41207 0.41882 0.42950 0.44458 0.45052 0.46741 0.47150 0.48012 0.49020 0.50234 0.50565 0.51114 0.51806 0.52009 0.52499 0.53398 0.53711 0.54804 0.55367 0.56098 0.56150 0.56846 0.57488 0.57894 0.58592 0.59514 0.60292 0.61257 0.62017 0.63084 0.64374 0.65706 0.67352 0.67726 0.68128 0.68947 0.70501 0.70975 0.71645 0.72132 0.72648 0.72841 0.73463 0.73664 0.73936 0.74427 0.74780 0.74890 0.75177 0.75615 0.75961 0.76482 0.76747 0.77263 0.77735 0.77873 0.78315 0.78594 0.78857 0.79001 0.80045 0.80208 0.80784 0.81090 0.81819 0.83053 0.83749 0.84072 0.85096 0.86234 0.86760 0.87410 0.88787 0.88868 0.89306 0.89529 0.90561 0.91397 0.93418 0.94298 0.94982 0.96263 0.98066 0.98893 0.99955 1.01845 1.03164 1.04537 1.06464 1.08445 1.08969 1.11651 1.13073 1.14271 1.14987 1.16029 1.16525 1.17279 1.18652 1.20540 1.22146 1.22331 1.24331 1.24391 1.25857 1.26475 1.26715 1.27202 1.28103 1.30191 1.32028 1.32519 1.33284 1.34274 1.35166 1.36285 1.38481 1.39684 1.42384 1.43084 1.43599 1.44971 1.45166 1.47599 1.48767 1.51886 1.52122 1.53553 1.56303 1.58300 1.59751 1.60693 1.61074 1.61270 1.61771 1.62371 1.62490 1.62658 1.63431 1.63755 1.64984 1.65553 1.67578 1.67820 1.68484 1.69277 1.70042 1.72217 1.72427 1.73287 1.76310 1.78038 1.79229 1.79969 1.81000 1.81394 1.82258 1.82715 1.83361 1.83971 1.84619 1.85982 1.86485 1.86854 1.87229 1.87783 1.88129 1.88497 1.88526 1.88809 1.88899 1.89320 1.89672 1.90323 1.91493 1.92369 1.93417 1.93952 1.94419 1.96021 1.96620 1.97584 2.00381 2.01245 2.01708 2.03152 2.03209 2.04527 2.04779 2.06231 2.08031 2.09093 2.10777 2.11225 2.12175 2.13491 2.14839 2.15891 2.17472 2.17677 2.18721 2.19248 2.20314 2.21247 2.21649 2.23739 2.24446 2.26314 2.27040 2.29062 2.29512 2.31452 2.33624 2.34089 2.34336 2.35296 2.36477 2.37186 2.37636 2.39033 2.39329 2.40549 2.41775 2.45058 2.45678 2.47426 2.48205 2.50978 2.52435 2.53515 2.54536 2.55412 2.56191 2.56549 2.57819 2.58161 2.58908 2.60508 2.61253 2.62806 2.63124 2.64639 2.66675 2.67264 2.67827 2.73204 2.75165 2.75665 2.77064 2.77752 2.78780 2.79789 2.80134 2.82363 2.82955 2.83311 2.83972 2.84355 2.84587 2.86246 2.88123 2.90685 2.90898 2.92289 2.93291 2.94485 2.98054 3.00177 3.02772 3.03390 3.03679 3.04368 3.05419 3.05814 3.07387 3.09062 3.12931 3.13650 3.14530 3.15842 3.20477 3.23943 3.25058 3.29538 3.32243 3.35491 3.40902 3.43077 3.45741 3.47578 3.56770 3.57312 3.67797 3.73604 3.79390 2-A. 3.51402845e-01 3.94058075e-01 -6.29249990e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.8932 1.0016 -1.5994 2.0878 -118.8106 -121.2665 -134.7190 5.1170 -5.7067 4.9124 6.1214 3.6656 -9.7870 5.1170 -5.7067 4.9124 47.3230 17.7697 3.0172 -5.6282 -30.8738 -4.2950 13.5259 -2.4090 -12.0820 4.9222 -3526.3041 -3349.2116 -1052.4218 -23.3583 -40.3425 33.6662 52.2914 -2.5952 -2.1241 -1150.0438 -829.1965 -787.4446 -26.2957 -26.4265 1.2473 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|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) 0 2-A -965.560958 0.770328 0. 0.750341 5.883E-9 4.571E-6 4.2939234,5.7511056,-10.045029,-2.5281283,1.5242727,1.1974149 C01 [X(C14H23B2N4O2)] 0.4034649 -0.4121552 0.5848637 0.000002253 0.000005265 0.000003204 -0.000000296 -0.000002215 -0.000001500 0.000005824 -0.000002048 0.000004990 -0.000001001 -0.000000322 0.000000033 -0.000006655 0.000000674 -0.000006897 -0.000001189 -0.000005845 0.000005270 0.000000750 0.000000611 -0.000000532 0.000002191 -0.000005466 -0.000003953 -0.000001478 0.000005321 0.000001605 0.000000626 -0.000000719 -0.000001383 -0.000009814 0.000000091 -0.000001749 0.000006112 -0.000000788 0.000002767 0.000000960 -0.000000882 -0.000000966 -0.000002308 0.000003236 0.000000790 0.000000101 -0.000000086 -0.000001234 -0.000000819 -0.000000025 -0.000002374 -0.000000475 0.000001901 0.000002934 -0.000003218 -0.000006231 0.000000320 0.000001256 0.000001432 -0.000001355 -0.000003476 0.000003787 0.000002030 0.000002809 0.000001011 -0.000000888 0.000003738 -0.000005017 -0.000005182 -0.000005752 0.000006679 0.000010169 0.000001948 0.000004398 -0.000001152 0.000007161 0.000004675 -0.000008276 0.000000077 0.000001301 0.000000928 -0.000011072 0.000001807 0.000007955 0.000000594 -0.000000543 0.000000946 0.000004854 0.000004813 -0.000000322 -0.000000441 0.000002273 -0.000001683 -0.000000069 0.000000456 0.000000914 0.000000390 -0.000001535 0.000000226 0.000000573 -0.000000089 0.000000750 0.000003916 -0.000000011 0.000002849 -0.000000611 0.000001195 0.000001038 -0.000001479 -0.000000589 -0.000000362 -0.000000135 -0.000000318 0.000002625 -0.000001602 -0.000000218 -0.000004383 0.000000606 0.000000966 -0.000001453 0.000000131 0.000000072 -0.000000916 -0.000000819 -0.000000023 -0.000002031 -0.000008529 0.000013467 -0.000000248 0.000016296 -0.000030314 -0.000002110 -0.000000231 -0.000001900 -0.000000801 -0.000001699 -0.000000246 -0.000000596 277.7973999999999 AuxInfo=1/0/N:34,30,42,38,3,9,1,2,7,8,13,14,5,6,11,12;18,25,20,22,24,23/E:(1,3)(2,4)(5,6)(7,9)(8,10)(13,15)(14,16);/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.4;1.3,3.3,4.3,5.1/rA:45nC3C3C3HNNC3C3C3HNNBB4HHHC3HC3HC3OO1CHHHHCHHHCHHHCHHHCHHH/rB:;s1s2;s3;s1;s2s5;;;s7s8;s9;s7;s8s11;s5s11;s6s12;s14;s14;s13;;s18;s18;s20;s20;s22;s22;s23;s25;s25;s25;s18;s2;s30;s30;s30;s1;s34;s34;s34;s8;s38;s38;s38;s7;s42;s42;s42;/rC:.3416,2.6328,.1127;-1.8614,2.3488,-.1189;-.8574,3.3161,-.0738;-.9831,4.3908,-.1706;.0492,1.3064,.181;-1.2906,1.1413,.0417;.9322,-2.3113,.8448;-1.2682,-2.6253,.6191;-.0701,-3.2807,.8924;.0608,-4.3395,1.0983;.3354,-1.1173,.5734;-1.0001,-1.3175,.424;.9534,.1842,.4142;-1.9453,-.2508,-.1997;-3.0327,-.2911,.3536;-2.0494,-.4481,-1.4126;2.1239,.3496,.5784;.8821,-2.0589,-2.474;-.0819,-2.5582,-2.5938;.967,-.7254,-2.5126;.0862,-.1017,-2.6796;2.2207,.0442,-2.3466;3.2763,-.7228,-2.0218;2.309,1.2397,-2.5007;4.4941,-.0398,-1.7975;4.4078,.6322,-.9295;5.249,-.8098,-1.6006;4.7808,.5583,-2.6743;1.7643,-2.681,-2.3088;-3.3274,2.5039,-.3333;-3.6522,1.9694,-1.2388;-3.8972,2.0892,.5115;-3.5807,3.5659,-.4428;1.7348,3.1396,.2339;2.1853,2.8452,1.1952;2.3583,2.7343,-.5774;1.7388,4.2348,.1679;-2.6497,-3.1684,.4963;-3.3336,-2.6785,1.2055;-3.0537,-2.9975,-.5135;-2.649,-4.2474,.6957;2.4019,-2.4179,1.0436;2.9389,-2.0569,.1521;2.7372,-1.8108,1.9007;2.6811,-3.463,1.2274; Gaussian 16 GINC-NODO01 NSF coments ES64L-G16RevC.02 129 C1[X(C14H23B2N4O2)] UwB97XD def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UwB97XD/def2SVP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 277.7973999999999 AuxInfo=1/0/N:34,30,42,38,3,9,1,2,7,8,13,14,5,6,11,12;18,25,20,22,24,23/E:(1,3)(2,4)(5,6)(7,9)(8,10)(13,15)(14,16);/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.4;1.3,3.3,4.3,5.1/rA:45nC3C3C3HNNC3C3C3HNNBB4HHHC3HC3HC3OO1CHHHHCHHHCHHHCHHHCHHH/rB:;s1s2;s3;s1;s2s5;;;s7s8;s9;s7;s8s11;s5s11;s6s12;s14;s14;s13;;s18;s18;s20;s20;s22;s22;s23;s25;s25;s25;s18;s2;s30;s30;s30;s1;s34;s34;s34;s8;s38;s38;s38;s7;s42;s42;s42;/rC:.3416,2.6328,.1127;-1.8614,2.3488,-.1189;-.8574,3.3161,-.0738;-.9831,4.3908,-.1706;.0492,1.3064,.181;-1.2906,1.1413,.0417;.9322,-2.3113,.8448;-1.2682,-2.6253,.6191;-.0701,-3.2807,.8924;.0608,-4.3395,1.0983;.3354,-1.1173,.5734;-1.0001,-1.3175,.424;.9534,.1842,.4142;-1.9453,-.2508,-.1997;-3.0327,-.2911,.3536;-2.0494,-.4481,-1.4126;2.1239,.3496,.5784;.8821,-2.0589,-2.474;-.0819,-2.5582,-2.5938;.967,-.7254,-2.5126;.0862,-.1017,-2.6796;2.2207,.0442,-2.3466;3.2763,-.7228,-2.0218;2.309,1.2397,-2.5007;4.4941,-.0398,-1.7975;4.4078,.6322,-.9295;5.249,-.8098,-1.6006;4.7808,.5584,-2.6743;1.7643,-2.681,-2.3088;-3.3274,2.5039,-.3333;-3.6522,1.9694,-1.2388;-3.8972,2.0892,.5115;-3.5807,3.5659,-.4428;1.7348,3.1396,.2339;2.1853,2.8452,1.1952;2.3583,2.7343,-.5774;1.7388,4.2348,.1679;-2.6497,-3.1684,.4963;-3.3336,-2.6785,1.2055;-3.0537,-2.9975,-.5135;-2.649,-4.2474,.6957;2.4019,-2.4179,1.0436;2.9389,-2.0569,.1521;2.7372,-1.8108,1.9007;2.6811,-3.463,1.2274; coments Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 12 12 12 1 14 14 12 12 12 1 14 14 11 11 1 1 1 12 1 12 1 12 16 16 12 1 1 1 1 12 1 1 1 12 1 1 1 12 1 1 1 12 1 1 1 12.0000000 12.0000000 12.0000000 1.0078250 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 1.0078250 14.0030740 14.0030740 11.0093053 11.0093053 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 1 2 2 0 0 0 1 2 2 3 3 1 1 1 0 1 0 1 0 0 0 0 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 3.6000000 3.6000000 3.6000000 1.0000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 1.0000000 4.5500000 4.5500000 2.7500000 2.7500000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "51_COOMe_a.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 1 1 2 2 2 3 5 5 6 7 7 7 8 8 8 9 11 11 12 13 14 14 18 18 18 20 20 22 22 23 23 25 25 25 27 30 30 30 34 34 34 38 38 38 42 42 42 3 5 34 3 6 30 4 6 13 14 9 11 42 9 12 38 10 12 13 14 17 15 16 19 20 29 21 22 23 24 25 43 26 27 28 43 31 32 33 35 36 37 39 40 41 43 44 45 1.3926 1.3599 1.4875 1.3949 1.3452 1.4897 1.0864 1.3572 1.4598 1.5572 1.3952 1.3622 1.4869 1.3926 1.3492 1.4895 1.0866 1.3586 1.4496 1.5556 1.1935 1.2208 1.2332 1.0922 1.3368 1.092 1.0921 1.4804 1.3447 1.2086 1.4142 2.5728 1.1011 1.0961 1.0994 3.1565 1.1006 1.1001 1.0972 1.1018 1.1005 1.0972 1.1003 1.101 1.0974 1.1016 1.1025 1.0973 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 3 3 5 3 3 6 1 1 2 1 1 6 2 2 5 9 9 11 9 9 12 7 7 8 7 7 12 8 8 11 5 5 11 6 6 6 12 12 15 19 19 20 18 18 21 20 20 23 22 22 25 23 23 23 26 26 27 25 2 2 2 31 31 32 1 1 1 35 35 36 8 8 8 39 39 40 7 7 7 43 43 44 23 23 27 1 1 1 2 2 2 3 3 3 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 18 18 18 20 20 20 22 22 22 23 23 23 25 25 25 25 25 25 27 30 30 30 30 30 30 34 34 34 34 34 34 38 38 38 38 38 38 42 42 42 42 42 42 43 43 43 5 34 34 6 30 30 2 4 4 6 13 13 5 14 14 11 42 42 12 38 38 8 10 10 12 13 13 11 14 14 11 17 17 12 15 16 15 16 16 20 29 29 21 22 22 23 24 24 25 43 43 26 27 28 27 28 28 43 31 32 33 32 33 33 35 36 37 36 37 37 39 40 41 40 41 41 43 44 45 44 45 45 27 42 42 107.4679 130.5517 121.9801 108.2505 129.85 121.8849 106.4875 126.6533 126.8583 109.0102 128.6506 122.301 108.7827 127.2712 122.6606 107.5173 130.98 121.5009 108.2798 129.9777 121.7185 106.5212 126.646 126.8324 108.8715 128.4698 122.6347 108.7963 127.0077 122.7024 116.3382 121.529 121.8295 107.1834 109.491 109.3283 109.6915 109.6275 111.422 120.5905 117.9834 121.4205 121.5271 124.6871 113.7851 113.289 124.1749 122.5294 116.0268 113.3853 103.2591 110.6253 106.3943 111.1533 109.9422 108.4892 110.2325 82.7206 110.9925 111.0965 110.0217 107.2086 108.6528 108.778 111.2839 110.1884 109.7924 108.2469 108.5284 108.7381 111.1638 111.0649 110.0544 107.0988 108.726 108.635 110.5006 111.413 110.0043 107.4854 108.8818 108.4731 39.6458 156.584 159.3275 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 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 5 5 34 34 3 3 34 34 3 3 3 5 5 5 6 6 30 30 3 3 30 30 3 3 3 6 6 6 1 1 13 13 1 1 6 6 2 2 2 5 5 5 11 11 42 42 9 9 42 42 9 9 9 11 11 11 12 12 38 38 9 9 38 38 9 9 9 12 12 12 7 7 13 13 7 7 12 12 8 8 8 11 11 11 19 19 29 29 18 18 21 21 20 20 24 24 22 22 22 43 43 43 22 22 25 25 23 26 28 25 25 7 7 44 44 45 45 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 5 5 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 12 12 12 12 12 12 18 18 18 18 20 20 20 20 22 22 22 22 23 23 23 23 23 23 23 23 23 23 25 25 25 27 27 42 42 42 42 42 42 3 3 3 3 5 5 5 5 34 34 34 34 34 34 3 3 3 3 6 6 6 6 30 30 30 30 30 30 6 6 6 6 13 13 13 13 14 14 14 14 14 14 9 9 9 9 11 11 11 11 42 42 42 42 42 42 9 9 9 9 12 12 12 12 38 38 38 38 38 38 12 12 12 12 13 13 13 13 14 14 14 14 14 14 20 20 20 20 22 22 22 22 23 23 23 23 25 25 25 25 25 25 43 43 43 43 27 27 27 43 43 43 43 43 43 43 43 2 4 2 4 6 13 6 13 35 36 37 35 36 37 1 4 1 4 5 14 5 14 31 32 33 31 32 33 2 14 2 14 11 17 11 17 12 15 16 12 15 16 8 10 8 10 12 13 12 13 43 44 45 43 44 45 7 10 7 10 11 14 11 14 39 40 41 39 40 41 8 14 8 14 5 17 5 17 6 15 16 6 15 16 21 22 21 22 23 24 23 24 25 43 25 43 26 27 28 26 27 28 27 42 27 42 43 43 43 23 42 23 27 23 27 23 27 -0.2602 -179.9485 179.9161 0.2278 0.0674 -177.6942 179.9095 2.1479 120.9486 -118.9674 0.7739 -58.8532 61.2308 -179.0279 0.3608 -179.9517 -178.2396 1.4479 -0.3256 -167.5158 178.4089 11.2187 118.8866 -121.9249 -1.407 -59.548 59.6406 -179.8416 0.1618 168.0644 178.0936 -14.0037 173.7857 0.0003 -3.7103 -177.4957 -167.4935 -48.5734 73.7517 26.9445 145.8646 -91.8103 0.9735 -179.2546 -179.5247 0.2471 -1.2293 -179.4629 179.2119 0.9783 122.1031 -118.4781 1.8514 -58.4542 60.9646 -178.7059 -0.3662 179.8625 177.8417 -1.9296 -0.3852 165.8377 -178.7709 -12.548 122.6711 -118.1867 2.153 -59.3294 59.8128 -179.8475 1.0133 -165.9254 179.371 12.4324 -177.4752 -3.7101 4.5097 178.2748 169.386 50.5954 -72.0528 -26.1541 -144.9447 92.4071 -0.9963 179.3101 179.8803 0.1867 -5.9617 173.1144 174.3237 -6.6002 -177.6099 -58.319 3.2967 122.5876 63.606 -177.0133 -56.9887 -61.0653 58.3154 178.34 -152.7526 1.8344 -26.3788 128.2082 -42.89 76.9351 -163.5093 34.2273 -116.8855 23.3072 152.4474 -98.458 30.6822 144.2293 -86.6305 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00016 0.00058 0.00072 0.00120 0.00133 0.00171 0.00194 0.00281 0.00304 0.00484 0.00621 0.00681 0.00723 0.00811 0.01081 0.01149 0.01157 0.01185 0.01249 0.01284 0.01739 0.01765 0.02020 0.02171 0.02916 0.03059 0.03290 0.03585 0.04128 0.04219 0.04283 0.04362 0.04639 0.04863 0.04935 0.04956 0.05461 0.05515 0.05537 0.05543 0.05576 0.05623 0.05795 0.07180 0.07447 0.07765 0.07869 0.08399 0.09250 0.09605 0.09692 0.09742 0.09962 0.10100 0.10770 0.11697 0.12360 0.12387 0.12405 0.12573 0.12606 0.13707 0.14181 0.14597 0.14653 0.14711 0.14946 0.15302 0.16125 0.16633 0.17628 0.18387 0.18837 0.18969 0.19598 0.20207 0.20514 0.21610 0.21843 0.22172 0.22333 0.23055 0.23774 0.24734 0.25809 0.25985 0.26741 0.27228 0.29532 0.31525 0.32206 0.33210 0.33250 0.33403 0.33601 0.33972 0.34209 0.34315 0.34371 0.34411 0.34448 0.34804 0.35106 0.35173 0.35214 0.35252 0.35266 0.35466 0.35755 0.36080 0.36653 0.36700 0.36859 0.37311 0.38077 0.38487 0.40210 0.42530 0.42834 0.45348 0.45670 0.45942 0.47295 0.48985 0.53489 0.55264 0.61947 0.65654 0.90604 Angle between quadratic step and forces= 75.86 degrees. 1 2 3 0.00222673 0.00003643 0.00000000 0.00001690 0.00000431 0.00000431 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 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 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 2.63162 2.56992 2.81089 2.63596 2.54208 2.81508 2.05297 2.56465 2.75868 2.94276 2.63663 2.57422 2.80975 2.63171 2.54960 2.81481 2.05330 2.56747 2.73937 2.93973 2.25537 2.30693 2.33049 2.06402 2.52623 2.06363 2.06378 2.79758 2.54108 2.28387 2.67241 4.86196 2.08070 2.07138 2.07757 5.96499 2.07976 2.07897 2.07342 2.08202 2.07964 2.07334 2.07925 2.08053 2.07369 2.08170 2.08335 2.07366 1.87567 2.27856 2.12895 1.88933 2.26631 2.12729 1.85856 2.21052 2.21410 1.90259 2.24538 2.13456 1.89862 2.22130 2.14083 1.87653 2.28603 2.12059 1.88984 2.26854 2.12439 1.85915 2.21039 2.21364 1.90017 2.24222 2.14038 1.89885 2.21670 2.14156 2.03049 2.12108 2.12633 1.87070 1.91098 1.90814 1.91448 1.91336 1.94468 2.10470 2.05920 2.11919 2.12105 2.17620 1.98592 1.97727 2.16726 2.13854 2.02505 1.97895 1.80221 1.93078 1.85693 1.93999 1.91885 1.89349 1.92392 1.44375 1.93719 1.93900 1.92024 1.87114 1.89635 1.89853 1.94227 1.92315 1.91624 1.88927 1.89418 1.89784 1.94017 1.93845 1.92081 1.86923 1.89763 1.89604 1.92860 1.94452 1.91994 1.87597 1.90035 1.89321 0.69195 2.73291 2.78079 -0.00454 -3.14069 3.14013 0.00398 0.00118 -3.10135 3.14001 0.03749 2.11095 -2.07637 0.01351 -1.02718 1.06868 -3.12463 0.00630 -3.14075 -3.11087 0.02527 -0.00568 -2.92370 3.11382 0.19580 2.07496 -2.12799 -0.02456 -1.03931 1.04092 -3.13883 0.00282 2.93328 3.10832 -0.24441 3.03313 0.00001 -0.06476 -3.09788 -2.92331 -0.84777 1.28721 0.47027 2.54582 -1.60239 0.01699 -3.12858 -3.13330 0.00431 -0.02145 -3.13222 3.12784 0.01707 2.13110 -2.06783 0.03231 -1.02022 1.06403 -3.11901 -0.00639 3.13919 3.10392 -0.03368 -0.00672 2.89441 -3.12014 -0.21900 2.14102 -2.06275 0.03758 -1.03549 1.04393 -3.13893 0.01768 -2.89594 3.13062 0.21699 -3.09753 -0.06475 0.07871 3.11148 2.95634 0.88306 -1.25756 -0.45648 -2.52976 1.61281 -0.01739 3.12955 3.13950 0.00326 -0.10405 3.02142 3.04252 -0.11520 -3.09988 -1.01786 0.05754 2.13956 1.11013 -3.08947 -0.99464 -1.06579 1.01780 3.11262 -2.66604 0.03202 -0.46040 2.23766 -0.74857 1.34277 -2.85378 0.59738 -2.04004 0.40679 2.66071 -1.71842 0.53551 2.51728 -1.51199 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 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 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 -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 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00003 -0.00000 0.00000 0.00002 -0.00001 -0.00002 0.00000 0.00000 -0.00001 0.00003 0.00002 0.00000 -0.00003 -0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00001 -0.00002 0.00177 -0.00001 -0.00002 0.00001 -0.00195 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00002 0.00001 -0.00001 -0.00000 0.00002 0.00000 -0.00003 0.00003 0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00003 -0.00001 0.00008 -0.00016 -0.00001 -0.00017 0.00019 -0.00002 0.00002 0.00000 0.00002 -0.00003 0.00001 -0.00000 0.00006 -0.00005 0.00002 0.00010 -0.00006 0.00000 -0.00003 -0.00003 -0.00006 0.00001 0.00001 -0.00002 0.00000 0.00005 0.00009 0.00002 -0.00010 0.00008 -0.00006 -0.00002 0.00001 0.00000 -0.00001 -0.00006 0.00166 0.00140 0.00002 -0.00005 0.00002 -0.00002 0.00001 0.00003 0.00314 0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00004 -0.00006 -0.00000 0.00004 -0.00001 -0.00001 -0.00002 0.00001 0.00000 0.00001 0.00000 0.00000 0.00030 -0.00004 -0.00011 -0.00001 -0.00012 -0.00002 0.00019 -0.00263 -0.00246 -0.00004 0.00004 -0.00012 -0.00004 0.00003 0.00032 0.00010 0.00039 0.00026 0.00030 0.00025 0.00018 0.00021 0.00016 0.00004 -0.00004 0.00007 -0.00001 -0.00002 0.00043 -0.00005 0.00041 -0.00034 -0.00033 -0.00034 -0.00031 -0.00030 -0.00030 -0.00001 -0.00040 -0.00028 -0.00067 -0.00047 0.00010 -0.00015 0.00043 0.00045 0.00040 0.00047 0.00094 0.00089 0.00096 -0.00003 0.00001 -0.00027 -0.00023 0.00009 0.00000 0.00030 0.00021 -0.00204 -0.00188 -0.00201 -0.00230 -0.00214 -0.00227 -0.00003 -0.00008 0.00007 0.00003 0.00009 0.00032 -0.00001 0.00022 -0.00007 -0.00007 -0.00006 0.00005 0.00005 0.00006 -0.00011 -0.00035 -0.00003 -0.00027 0.00072 0.00014 0.00062 0.00005 -0.00075 -0.00072 -0.00077 -0.00048 -0.00044 -0.00050 0.00007 0.00018 -0.00006 0.00004 -0.00072 -0.00075 -0.00062 -0.00065 0.00006 0.00324 0.00009 0.00327 -0.00212 -0.00217 -0.00216 -0.00526 -0.00531 -0.00529 -0.00036 -0.01318 0.00157 -0.01125 0.00308 0.00306 0.00307 -0.00265 0.01199 0.01047 -0.01496 0.01035 -0.01508 0.01045 -0.01498 -0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00003 -0.00000 0.00000 0.00002 -0.00001 -0.00002 0.00000 0.00000 -0.00001 0.00003 0.00002 0.00000 -0.00003 -0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00001 -0.00003 0.00178 -0.00001 -0.00003 0.00001 -0.00195 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00002 0.00001 -0.00001 -0.00000 0.00002 0.00000 -0.00003 0.00003 0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00003 -0.00001 0.00008 -0.00016 -0.00001 -0.00017 0.00019 -0.00002 0.00002 0.00000 0.00002 -0.00003 0.00001 -0.00000 0.00006 -0.00005 0.00002 0.00010 -0.00006 0.00000 -0.00003 -0.00003 -0.00006 0.00001 0.00001 -0.00002 0.00000 0.00005 0.00009 0.00002 -0.00010 0.00008 -0.00006 -0.00002 0.00001 0.00000 -0.00001 -0.00007 0.00165 0.00140 0.00002 -0.00006 0.00002 -0.00002 0.00001 0.00003 0.00314 0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00004 -0.00006 -0.00000 0.00004 -0.00001 -0.00001 -0.00002 0.00001 0.00000 0.00001 0.00000 0.00000 0.00030 -0.00004 -0.00011 -0.00001 -0.00012 -0.00002 0.00018 -0.00267 -0.00250 -0.00004 0.00004 -0.00012 -0.00004 0.00003 0.00032 0.00010 0.00039 0.00026 0.00030 0.00025 0.00018 0.00021 0.00016 0.00004 -0.00004 0.00007 -0.00001 -0.00002 0.00043 -0.00005 0.00041 -0.00034 -0.00033 -0.00034 -0.00031 -0.00030 -0.00030 -0.00001 -0.00040 -0.00028 -0.00067 -0.00047 0.00010 -0.00015 0.00043 0.00045 0.00040 0.00047 0.00094 0.00089 0.00096 -0.00003 0.00001 -0.00027 -0.00023 0.00009 0.00000 0.00030 0.00021 -0.00204 -0.00188 -0.00201 -0.00230 -0.00214 -0.00227 -0.00003 -0.00008 0.00007 0.00003 0.00009 0.00032 -0.00001 0.00022 -0.00007 -0.00007 -0.00006 0.00005 0.00005 0.00006 -0.00011 -0.00035 -0.00003 -0.00027 0.00072 0.00014 0.00062 0.00005 -0.00075 -0.00072 -0.00077 -0.00048 -0.00044 -0.00050 0.00007 0.00018 -0.00006 0.00004 -0.00072 -0.00075 -0.00062 -0.00065 0.00006 0.00324 0.00009 0.00328 -0.00212 -0.00217 -0.00216 -0.00525 -0.00531 -0.00529 -0.00036 -0.01318 0.00157 -0.01125 0.00308 0.00306 0.00308 -0.00265 0.01199 0.01047 -0.01495 0.01035 -0.01508 0.01044 -0.01498 2.63162 2.56993 2.81090 2.63597 2.54209 2.81508 2.05297 2.56465 2.75867 2.94273 2.63663 2.57422 2.80977 2.63170 2.54958 2.81481 2.05330 2.56746 2.73940 2.93975 2.25537 2.30690 2.33048 2.06401 2.52624 2.06364 2.06378 2.79759 2.54107 2.28389 2.67238 4.86374 2.08069 2.07135 2.07758 5.96304 2.07976 2.07897 2.07342 2.08201 2.07966 2.07334 2.07925 2.08052 2.07369 2.08171 2.08334 2.07367 1.87565 2.27856 2.12897 1.88933 2.26628 2.12732 1.85857 2.21053 2.21407 1.90260 2.24538 2.13452 1.89861 2.22138 2.14067 1.87652 2.28586 2.12078 1.88982 2.26855 2.12439 1.85916 2.21036 2.21365 1.90016 2.24228 2.14033 1.89887 2.21680 2.14150 2.03049 2.12105 2.12630 1.87064 1.91098 1.90815 1.91446 1.91337 1.94473 2.10479 2.05922 2.11908 2.12113 2.17614 1.98591 1.97728 2.16726 2.13853 2.02498 1.98060 1.80362 1.93080 1.85687 1.94001 1.91883 1.89350 1.92395 1.44689 1.93720 1.93899 1.92023 1.87114 1.89635 1.89854 1.94231 1.92309 1.91624 1.88931 1.89417 1.89783 1.94015 1.93846 1.92082 1.86923 1.89763 1.89604 1.92890 1.94448 1.91983 1.87597 1.90023 1.89319 0.69213 2.73023 2.77829 -0.00458 -3.14066 3.14001 0.00393 0.00120 -3.10103 3.14011 0.03788 2.11122 -2.07607 0.01376 -1.02701 1.06889 -3.12447 0.00633 -3.14079 -3.11080 0.02526 -0.00570 -2.92327 3.11378 0.19621 2.07462 -2.12832 -0.02489 -1.03962 1.04062 -3.13913 0.00282 2.93288 3.10804 -0.24508 3.03266 0.00010 -0.06490 -3.09746 -2.92286 -0.84737 1.28768 0.47121 2.54671 -1.60143 0.01696 -3.12857 -3.13356 0.00409 -0.02137 -3.13221 3.12813 0.01729 2.12906 -2.06971 0.03030 -1.02252 1.06189 -3.12128 -0.00643 3.13912 3.10400 -0.03365 -0.00664 2.89473 -3.12015 -0.21878 2.14095 -2.06282 0.03752 -1.03544 1.04398 -3.13887 0.01758 -2.89629 3.13058 0.21671 -3.09681 -0.06461 0.07933 3.11153 2.95559 0.88234 -1.25833 -0.45696 -2.53021 1.61231 -0.01732 3.12973 3.13944 0.00330 -0.10477 3.02067 3.04190 -0.11585 -3.09981 -1.01461 0.05763 2.14283 1.10802 -3.09163 -0.99680 -1.07105 1.01249 3.10733 -2.66640 0.01883 -0.45882 2.22641 -0.74549 1.34583 -2.85070 0.59473 -2.02805 0.41726 2.64576 -1.70807 0.52043 2.52772 -1.52697 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000010 0.000002 0.012454 0.002236 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.948645e-07 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 445 A 423 A 423 711 445 81 80 1899.4823961816 45 45 45 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0424749721 0.000000 2.233303 0.000000 1.392595 1.394891 0.000000 2.219430 2.223496 1.086386 0.000000 1.359944 2.197068 2.219398 3.271546 0.000000 2.212171 1.345213 2.220496 3.270912 1.357152 0.000000 5.032817 5.518182 5.976178 7.044058 3.782657 4.184151 0.000000 5.522271 5.063456 5.995767 7.066203 4.169639 3.810716 2.234114 0.000000 5.978872 5.993571 6.713503 7.798461 4.643487 4.665588 1.395247 1.392640 0.000000 7.047207 7.064719 7.799052 8.883621 5.719960 5.743036 2.221948 2.221327 1.086559 0.000000 3.778290 4.161628 4.636442 5.712398 2.471892 2.833379 1.362220 2.201701 2.224075 3.276197 0.000000 4.183526 3.805051 4.662439 5.739237 2.836376 2.505272 2.213328 1.349190 2.222261 3.273052 1.358648 0.000000 2.541742 3.590629 3.650406 4.667681 1.459830 2.467864 2.532574 3.587614 3.644492 4.661453 1.449611 2.464048 0.000000 3.693611 2.602268 3.731266 4.740439 2.558891 1.557242 3.690081 2.601350 3.726765 4.735653 2.559249 1.555639 2.994717 0.000000 4.471363 2.926445 4.233941 5.137679 3.475651 2.276816 4.477045 2.938206 4.243269 5.149251 3.474932 2.278183 4.014822 1.220775 0.000000 4.187539 3.087372 4.169225 5.108324 3.165753 2.284111 4.178244 3.078688 4.153782 5.089271 3.174776 2.286865 3.571223 1.233243 2.027538 0.000000 2.933664 4.512857 4.256010 5.152290 2.318989 3.545974 2.927734 4.511964 4.253416 5.149196 2.313151 3.544364 1.193488 4.186181 5.201142 4.692222 0.000000 5.384715 5.701009 6.138179 7.098153 4.366665 4.614243 3.328787 3.809417 3.705672 4.317069 3.236095 3.534193 3.657624 4.054078 5.142599 3.509263 4.081696 0.000000 5.869494 5.776742 6.438867 7.414395 4.759373 4.700387 3.593523 3.425526 3.560243 4.101821 3.504497 3.389566 4.200069 3.811522 4.747019 3.117490 4.835683 1.092233 0.000000 4.308171 4.814573 5.060540 5.955081 3.496498 3.886629 3.713349 4.291069 4.381712 5.188650 3.174293 3.583775 3.064868 3.749108 4.939749 3.222632 3.471088 1.336824 2.113335 0.000000 3.916539 4.044129 4.400133 5.255543 3.188516 3.293336 4.244992 4.368550 4.784307 5.677366 3.416963 3.505726 3.225670 3.209158 4.354673 2.507157 3.869188 2.122882 2.463798 1.092108 0.000000 4.034809 5.190129 5.034392 5.821700 3.563263 4.386018 4.170615 5.300370 5.176303 5.979101 3.664714 4.461372 3.040944 4.695900 5.916227 4.398690 2.942508 2.496252 3.483654 1.480416 2.165282 0.000000 4.942550 6.281118 6.098773 6.907905 4.402737 5.346996 4.029368 5.589828 5.121928 5.758044 3.942096 4.962186 3.486077 5.550478 6.755216 5.367478 3.039653 2.778813 3.869549 2.360914 3.315960 1.344682 0.000000 3.555426 4.929010 4.497426 5.118270 3.507437 4.408016 5.069300 6.121038 6.132464 7.009600 4.347498 5.103206 3.383473 5.061088 6.246876 4.798725 3.210554 3.594063 4.488750 2.379566 2.602299 1.208574 2.239779 0.000000 5.294777 6.993985 6.547624 7.230275 5.048117 6.183936 4.982874 6.762310 6.210613 6.821120 4.906894 6.062508 4.180710 6.638005 7.832217 6.567524 3.378557 4.192983 5.283607 3.663607 4.495763 2.340280 1.414180 2.628012 0.000000 4.649972 6.550311 5.971386 6.615507 4.548026 5.802950 4.887927 6.724984 6.219449 6.908362 4.680156 5.905771 3.733462 6.455479 7.606544 6.564688 2.751330 4.696527 5.753712 4.023412 4.719885 2.671494 2.075867 2.691229 1.101058 0.000000 6.234483 7.920221 7.526051 8.241960 5.889785 7.019307 5.183566 7.120157 6.372903 6.830850 5.381889 6.588471 4.847623 7.350662 8.524950 7.309759 3.982273 4.625243 5.697539 4.378871 5.321692 3.233620 2.019017 3.695169 1.096126 1.799194 0.000000 5.637121 7.338609 6.793887 7.360648 5.576737 6.676766 5.952399 7.587648 7.140835 7.778182 5.754790 6.821817 4.932307 7.212399 8.422650 7.018318 4.205121 4.700024 5.776303 4.027342 4.740841 2.631720 2.081034 2.569933 1.099402 1.785715 1.801023 0.000000 6.010304 6.575746 6.916149 7.882290 5.003958 5.428425 3.282467 4.215665 3.738013 4.154692 3.576919 4.119373 4.035051 4.910696 5.984288 4.509241 4.201168 1.092025 1.872112 2.121720 3.099425 2.763390 2.490529 3.962929 3.832625 4.457226 4.018194 4.441392 0.000000 3.698271 1.489677 2.613017 3.013728 3.619417 2.479062 6.536009 5.608638 6.750863 7.769321 5.229857 4.537963 4.925931 3.084961 2.893191 3.393057 5.932040 6.566744 6.424056 5.798214 4.893518 6.394131 7.541365 6.169631 8.354063 7.980706 9.281221 8.660763 7.530704 0.000000 4.268155 2.145940 3.313867 3.758800 4.019413 2.811105 6.609298 5.499678 6.703443 7.684425 5.358378 4.538911 5.208662 2.987076 2.833516 2.905732 6.268099 6.189692 5.922980 5.497312 4.509985 6.278845 7.474282 6.136744 8.408960 8.175951 9.331935 8.669886 7.218639 1.100564 0.000000 4.292111 2.146912 3.329914 3.775533 4.036897 2.813090 6.542160 5.399127 6.605143 7.572267 5.310417 4.472892 5.212185 3.129197 2.537329 3.681669 6.267751 6.997293 6.767428 6.381793 5.554286 7.055460 8.110790 6.950643 8.959827 8.554074 9.824366 9.370226 7.922243 1.100143 1.771433 0.000000 4.069908 2.131248 2.759563 2.739051 4.320992 3.370122 7.521077 6.693764 7.809139 8.839176 6.188759 5.590906 5.720845 4.159466 3.976221 4.404259 6.627991 7.461949 7.373792 6.586355 5.647994 7.048607 8.240465 6.658398 8.946445 8.524056 9.922224 9.161888 8.430561 1.097207 1.785366 1.786423 0.000000 1.487459 3.699002 2.616347 3.019286 2.490923 3.630890 5.543515 6.511594 6.701668 7.712782 4.493912 5.232777 3.062253 5.022571 5.874805 5.468361 2.838035 5.923213 6.615249 4.803195 4.659629 4.059107 4.731069 3.378961 4.674279 3.845208 5.595751 4.939493 6.351804 5.133387 5.705950 5.735859 5.375368 0.000000 2.148522 4.283606 3.330214 3.780667 2.821233 4.039277 5.318127 6.494960 6.534917 7.492811 4.417016 5.298069 3.034488 5.347216 6.145915 5.964826 2.571384 6.261891 6.978050 5.289678 5.301335 4.515613 4.926469 4.031464 4.754968 3.788291 5.528201 5.190291 6.556938 5.730866 6.384972 6.167348 6.037387 1.101756 0.000000 2.133889 4.262014 3.306441 3.751571 2.818840 4.029342 5.432801 6.580935 6.651200 7.624024 4.500200 5.357146 3.075688 5.251152 6.251624 5.500308 2.660430 5.362053 6.166985 4.201229 4.198187 3.222697 3.857627 2.436330 3.707587 2.956948 4.686554 3.873069 5.716313 5.695586 6.094947 6.382253 5.998463 1.100501 1.784449 0.000000 2.126391 4.074373 2.764505 2.747268 3.380868 4.331596 6.630296 7.503765 7.764026 8.786353 5.547890 6.196382 4.133335 5.816209 6.579138 6.227195 3.925780 6.879273 7.555591 5.690683 5.444650 4.910792 5.633573 4.051841 5.452231 4.615950 6.395067 5.554142 7.345927 5.377091 6.014429 6.040349 5.396072 1.097166 1.784909 1.786234 0.000000 6.538249 5.607071 6.751723 7.769423 5.235204 4.541734 3.699512 1.489532 2.612220 3.013480 3.622649 2.480356 4.922322 3.081009 2.906212 3.376978 5.930455 4.746282 4.063785 5.301153 5.193818 6.490277 6.887627 7.280194 8.129204 8.141555 8.505861 8.896854 5.252619 5.772573 5.514688 5.403607 6.862850 7.686603 7.747817 7.815051 8.612417 0.000000 6.550685 5.403284 6.610880 7.575902 5.326619 4.485469 4.296777 2.147734 3.333290 3.780543 4.037112 2.812184 5.215368 3.129804 2.552716 3.671279 6.272725 5.629808 5.002242 6.011166 5.781755 7.133090 7.611265 7.805551 8.789438 8.686059 9.221035 9.558980 6.191880 5.406093 5.261081 4.850862 6.463007 7.777133 7.808310 8.054532 8.637111 1.100291 0.000000 6.604625 5.491882 6.699184 7.680689 5.351125 4.532888 4.266616 2.147020 3.310375 3.754933 4.025267 2.814029 5.200137 2.978502 2.842056 2.883838 6.261276 4.496146 3.654070 5.032423 4.789231 6.358628 6.893391 7.117669 8.207742 8.307924 8.654681 8.870945 5.151419 5.511217 5.055108 5.257114 6.584894 7.820071 8.031470 7.883436 8.702824 1.100967 1.770624 0.000000 7.524714 6.692875 7.810838 8.840000 6.196019 5.595702 4.073813 2.131641 2.761105 2.741113 4.326568 3.373021 5.718081 4.155702 3.989665 4.386279 6.627752 5.225463 4.501578 5.981121 6.005098 7.168549 7.410621 8.056485 8.657065 8.732111 8.914546 9.468633 5.564051 6.862970 6.587679 6.461083 7.950618 8.602325 8.597974 8.685574 9.564503 1.097351 1.786079 1.785612 0.000000 5.533551 6.499866 6.689515 7.700037 4.488785 5.225541 1.486856 3.700338 2.622668 3.029247 2.486564 3.628821 3.043893 5.013926 5.876614 5.452221 2.820001 3.848643 4.406747 4.191677 4.958768 4.193812 3.610341 5.093957 4.254955 4.149617 4.205215 5.323521 3.422653 7.677539 7.817208 7.763746 8.591052 5.655643 5.269640 5.401354 6.742731 5.136304 5.743699 5.703036 5.383300 0.000000 5.361044 6.521286 6.582718 7.553793 4.434303 5.303788 2.138101 4.270928 3.331714 3.793303 2.799811 4.017053 3.005634 5.219293 6.230544 5.469908 2.576294 3.335694 4.112971 3.572432 4.469858 3.342756 2.572837 4.278058 3.207552 3.249370 3.156535 4.268558 2.797373 7.765555 7.847811 8.003290 8.629925 5.334851 5.068159 4.881125 6.405179 5.708493 6.390684 6.102459 6.026525 1.101587 0.000000 5.355466 6.521356 6.565411 7.522696 4.460875 5.328602 2.150133 4.283509 3.325397 3.768395 2.830396 4.048614 3.061348 5.363784 6.164011 5.978778 2.606097 4.758180 5.357759 4.877358 5.561250 4.663362 4.106115 5.372239 4.460930 4.094989 4.423819 5.542524 4.407187 7.770885 8.060381 7.820190 8.620709 5.318823 4.741337 5.190636 6.367795 5.730080 6.171751 6.385235 6.033228 1.102463 1.777278 0.000000 6.623792 7.498286 7.756961 8.778598 5.546994 6.195199 2.128656 4.082670 2.777532 2.765958 3.381192 4.335889 4.116911 5.810142 6.593380 6.199731 3.907398 4.348357 4.801470 4.941738 5.770348 5.028551 4.291922 6.012736 4.914886 4.940091 4.651008 5.983634 3.735921 8.610590 8.700755 8.637948 9.560616 6.743723 6.327724 6.462896 7.827342 5.388753 6.065660 6.011291 5.413647 1.097334 1.788859 1.784998 0.000000 C14H23B2N4O2(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 277.7973999999999 AuxInfo=1/0/N:34,30,42,38,3,9,1,2,7,8,13,14,5,6,11,12;18,25,20,22,24,23/E:(1,3)(2,4)(5,6)(7,9)(8,10)(13,15)(14,16);/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.4;1.3,3.3,4.3,5.1/rA:45nC3C3C3HNNC3C3C3HNNBB4HHHC3HC3HC3OO1CHHHHCHHHCHHHCHHHCHHH/rB:;s1s2;s3;s1;s2s5;;;s7s8;s9;s7;s8s11;s5s11;s6s12;s14;s14;s13;;s18;s18;s20;s20;s22;s22;s23;s25;s25;s25;s18;s2;s30;s30;s30;s1;s34;s34;s34;s8;s38;s38;s38;s7;s42;s42;s42;/rC:-1.1151,-2.419,-.8286;-2.9304,-1.5528,.1419;-2.3819,-2.7387,-.3465;-2.8472,-3.7203,-.3466;-.9288,-1.086,-.6345;-2.036,-.5658,-.0467;.9601,2.1579,-1.101;-.8438,3.0525,-.1331;.3892,3.3661,-.6997;.8245,4.356,-.8056;.0765,1.1663,-.7984;-1.0116,1.7154,-.1981;.2154,-.261,-1.0104;-2.0691,.8663,.5639;-3.1781,1.3513,.405;-1.7702,.8075,1.759;1.1638,-.7254,-1.5665;1.7099,1.1922,1.9951;1.0525,1.9151,2.4831;1.327,-.0792,1.84;.3615,-.4337,2.2074;2.1369,-1.1286,1.1811;3.2677,-.6576,.6264;1.8364,-2.2988,1.1501;4.0604,-1.603,-.0649;3.5153,-2.0056,-.9327;4.9563,-1.0686,-.4012;4.3406,-2.4404,.59;2.6765,1.5443,1.6288;-4.2434,-1.3092,.8021;-4.1056,-.9202,1.8224;-4.8337,-.565,.247;-4.8153,-2.2439,.8572;-.0756,-3.2762,-1.4588;.1764,-2.9207,-2.4707;.8425,-3.2679,-.8521;-.4399,-4.3085,-1.5326;-1.8597,3.9395,.4993;-2.8346,3.8477,-.0025;-2.0135,3.674,1.5566;-1.5323,4.9855,.4445;2.2635,1.8646,-1.7537;2.8557,1.1695,-1.1375;2.1225,1.3944,-2.7408;2.833,2.7928,-1.8888; 0.3171994 0.2978039 0.1900065 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. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 444 443 443 443 444 MxSgAt= 45 MxSgA2= 45. 1 open 1 1 1 -965.560958026880 -965.560958027 1 0.7703 9.553745294234e+02 -6.040661380225e+03 2.220285971565e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572456720 LenY= 1572258250 Requested convergence on RMS density matrix=1.00D-08 within 32 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. 0.7703 Using compressed storage, NAtomX= 45. Will process 46 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111 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. 13579 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1572864000 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 135 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 135 NMatS0= 135 NMatT0= 0 NMatD0= 135 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 138 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 135 vectors produced by pass 0 Test12= 5.51D-14 1.00D-09 XBig12= 3.30D+02 1.02D+01. AX will form 135 AO Fock derivatives at one time. 135 vectors produced by pass 1 Test12= 5.51D-14 1.00D-09 XBig12= 4.38D+01 1.47D+00. 135 vectors produced by pass 2 Test12= 5.51D-14 1.00D-09 XBig12= 1.18D+00 1.24D-01. 135 vectors produced by pass 3 Test12= 5.51D-14 1.00D-09 XBig12= 1.94D-02 1.78D-02. 135 vectors produced by pass 4 Test12= 5.51D-14 1.00D-09 XBig12= 2.22D-04 1.30D-03. 135 vectors produced by pass 5 Test12= 5.51D-14 1.00D-09 XBig12= 1.78D-06 9.70D-05. 135 vectors produced by pass 6 Test12= 5.51D-14 1.00D-09 XBig12= 1.75D-08 9.43D-06. 75 vectors produced by pass 7 Test12= 5.51D-14 1.00D-09 XBig12= 1.52D-10 7.66D-07. 12 vectors produced by pass 8 Test12= 5.51D-14 1.00D-09 XBig12= 1.29D-12 6.82D-08. 3 vectors produced by pass 9 Test12= 5.51D-14 1.00D-09 XBig12= 1.27D-14 5.91D-09. InvSVY: IOpt=1 It= 1 EMax= 2.49D-14 Solved reduced A of dimension 1035 with 138 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 246.73 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 262.293 31.352 310.977 -16.466 10.800 166.906 252.753 23.114 306.155 -25.805 13.523 189.520 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 C C C H N N C C C H N N B B H H H C H C H C O O C H H H H C H H H C H H H C H H H C H H H 13 13 13 1 14 14 13 13 13 1 14 14 11 11 1 1 1 13 1 13 1 13 17 17 13 1 1 1 1 13 1 1 1 13 1 1 1 13 1 1 1 13 1 1 1 0.03202 0.01905 -0.01406 0.00026 -0.05989 0.00967 0.03774 0.02271 -0.01581 0.00024 -0.06662 0.01526 0.05869 -0.00298 0.00170 0.00402 -0.00806 0.01316 -0.00107 0.00047 0.00061 0.00194 0.00462 0.01074 0.00014 0.00003 0.00000 0.00000 -0.00104 -0.00548 0.00260 0.00282 0.00007 -0.00703 0.00254 0.00260 0.00010 -0.00672 0.00335 0.00316 0.00008 -0.00897 0.00314 0.00338 0.00013 35.99359 21.41800 -15.80421 1.17225 -19.35133 3.12599 42.42629 25.52630 -17.77434 1.08423 -21.52615 4.93069 84.18551 -4.28114 7.58910 17.96497 -36.04867 14.78876 -4.76080 0.52977 2.74753 2.17994 -2.79774 -6.51011 0.15748 0.11987 0.00668 0.00243 -4.64816 -6.16041 11.64284 12.60390 0.29951 -7.90683 11.35302 11.61815 0.46186 -7.55560 14.96992 14.14091 0.35077 -10.08700 14.03270 15.12019 0.57608 12.84341 7.64247 -5.63933 0.41829 -6.90503 1.11543 15.13875 9.10842 -6.34233 0.38688 -7.68107 1.75939 30.03948 -1.52762 2.70798 6.41035 -12.86306 5.27700 -1.69877 0.18904 0.98039 0.77786 -0.99830 -2.32297 0.05619 0.04277 0.00238 0.00087 -1.65858 -2.19819 4.15446 4.49739 0.10687 -2.82135 4.05104 4.14564 0.16480 -2.69603 5.34164 5.04583 0.12516 -3.59929 5.00722 5.39526 0.20556 12.00617 7.14427 -5.27172 0.39102 -6.45491 1.04272 14.15189 8.51466 -5.92888 0.36166 -7.18035 1.64470 28.08126 -1.42804 2.53145 5.99247 -12.02454 4.93300 -1.58803 0.17671 0.91648 0.72715 -0.93322 -2.17154 0.05253 0.03998 0.00223 0.00081 -1.55046 -2.05489 3.88363 4.20421 0.09991 -2.63744 3.78696 3.87540 0.15406 -2.52028 4.99343 4.71690 0.11700 -3.36466 4.68081 5.04355 0.19216 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 -0.052713 -0.032129 0.007404 0.000055 0.035766 -0.017566 -0.049881 -0.031594 0.004910 0.000512 0.036098 -0.026863 -0.066569 0.001260 0.001691 -0.000154 0.008755 -0.016931 -0.001602 0.002850 -0.002845 -0.002207 0.001455 -0.032696 0.002031 0.001977 0.001620 0.001146 0.004138 0.001516 0.000778 0.002390 0.002305 -0.000945 -0.001872 -0.000421 -0.001869 0.000622 0.002119 -0.000055 -0.001143 0.001700 0.004492 0.000940 0.002342 -0.082121 -0.061428 0.011249 0.001677 0.067819 -0.041098 -0.109071 -0.078467 0.012736 0.001472 0.080756 -0.058044 -0.144668 0.001121 0.000311 -0.000471 -0.017977 -0.034170 -0.001850 0.016787 -0.001119 0.000487 -0.008359 -0.040408 -0.000512 -0.000404 -0.000695 -0.000293 -0.005191 -0.001461 -0.001173 -0.000780 -0.001378 0.003251 0.002532 0.003321 0.003295 -0.000266 -0.000242 -0.000395 0.002458 -0.000064 -0.001448 -0.001099 -0.001233 0.134834 0.093558 -0.018654 -0.001732 -0.103585 0.058664 0.158952 0.110061 -0.017646 -0.001984 -0.116854 0.084908 0.211236 -0.002381 -0.002002 0.000625 0.009222 0.051101 0.003452 -0.019637 0.003964 0.001720 0.006904 0.073104 -0.001518 -0.001572 -0.000925 -0.000853 0.001053 -0.000054 0.000395 -0.001610 -0.000927 -0.002306 -0.000660 -0.002900 -0.001426 -0.000356 -0.001877 0.000450 -0.001315 -0.001637 -0.003044 0.000159 -0.001109 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 -0.022152 -0.014898 0.003417 0.000484 0.015495 -0.005748 -0.014351 -0.013527 0.000459 0.001119 0.012722 -0.011303 -0.024057 0.000483 -0.000243 0.000122 -0.016199 -0.013351 -0.004417 0.002897 -0.000415 0.000133 -0.005439 -0.007981 -0.001339 -0.001920 -0.000632 -0.001044 0.002712 -0.000474 -0.000253 -0.001084 0.001217 -0.000308 -0.000715 -0.002270 -0.000904 -0.001958 -0.002094 -0.001404 -0.002101 0.001859 0.001158 0.001361 0.002416 0.097734 0.071818 -0.014515 -0.000881 -0.084881 0.041986 0.132188 0.096601 -0.015290 -0.001437 -0.101914 0.070494 0.169600 -0.003136 -0.001199 -0.002106 -0.006081 0.046679 -0.000408 -0.013824 0.000770 0.001185 0.013042 0.039070 0.000179 -0.000541 0.000000 0.000441 0.000925 -0.000939 -0.002105 -0.000702 -0.001452 0.000142 -0.001593 -0.000137 -0.000197 -0.000715 -0.000604 -0.002114 -0.000491 -0.001837 -0.001683 -0.004025 -0.002053 -0.055802 -0.032210 0.006301 0.000724 0.036267 -0.014606 -0.027084 -0.022875 0.002207 -0.000489 0.027876 -0.015808 -0.045265 0.000686 0.000309 0.000660 0.005977 -0.024962 0.003265 0.005851 0.000237 0.001566 -0.006410 -0.021123 -0.000168 0.000244 -0.000011 -0.000258 -0.001668 -0.000061 0.000637 0.000049 -0.000526 0.001256 0.003155 0.000622 0.001618 0.000943 0.000473 0.001477 0.001491 -0.001101 -0.000135 -0.000681 -0.001181 -0.4692 0.7926 0.3895 0.7962 0.5704 -0.2016 0.3819 -0.2156 0.8987 -0.0964 -0.0933 0.1898 -12.94 -12.523 25.464 -4.617 -4.469 9.086 -4.316 -4.177 8.494 1 C 13 0.1455 0.9807 0.1309 0.9019 -0.0771 -0.425 0.4067 -0.1799 0.8957 -0.0679 -0.0647 0.1326 -9.117 -8.682 17.798 -3.253 -3.098 6.351 -3.041 -2.896 5.937 2 C 13 0.4026 -0.1861 0.8962 -0.2439 0.9219 0.3011 0.8823 0.3398 -0.3258 -0.0265 0.0124 0.0141 -3.554 1.664 1.889 -1.268 0.594 0.674 -1.185 0.555 0.63 3 C 13 0.3833 -0.2114 0.8991 0.9049 -0.1094 -0.4114 0.1853 0.9713 0.1494 -0.0023 4.0E-4 0.0019 -1.215 0.212 1.004 -0.434 0.076 0.358 -0.405 0.071 0.335 4 H 1 0.4197 -0.1774 0.8902 0.5902 0.7984 -0.1191 0.6896 -0.5754 -0.4398 -0.1508 0.0739 0.077 -5.817 2.849 2.968 -2.076 1.016 1.059 -1.94 0.95 0.99 5 N 14 -0.0323 0.9874 0.1549 0.9156 0.0914 -0.3916 0.4008 -0.1292 0.907 -0.0432 -0.0361 0.0793 -1.666 -1.392 3.058 -0.595 -0.497 1.091 -0.556 -0.464 1.02 6 N 14 0.8405 0.3985 -0.367 -0.3236 0.9126 0.2497 0.4344 -0.0911 0.8961 -0.1144 -0.1114 0.2258 -15.351 -14.948 30.299 -5.478 -5.334 10.811 -5.121 -4.986 10.107 7 C 13 0.5892 0.7822 -0.2024 0.671 -0.6133 -0.4166 0.45 -0.1096 0.8863 -0.0827 -0.0792 0.1619 -11.103 -10.629 21.731 -3.962 -3.793 7.754 -3.703 -3.545 7.249 8 C 13 0.4493 -0.0569 0.8916 0.7056 0.6347 -0.3151 -0.5479 0.7707 0.3253 -0.0255 0.0122 0.0133 -3.421 1.63 1.79 -1.221 0.582 0.639 -1.141 0.544 0.597 9 C 13 0.4164 -0.0052 0.9092 0.68 -0.6619 -0.3153 0.6034 0.7495 -0.2721 -0.0026 1.0E-4 0.0026 -1.408 0.047 1.361 -0.502 0.017 0.486 -0.47 0.016 0.454 10 H 1 0.4434 -0.1205 0.8882 0.3565 0.9329 -0.0514 0.8224 -0.3395 -0.4566 -0.1715 0.0841 0.0874 -6.615 3.243 3.372 -2.36 1.157 1.203 -2.206 1.082 1.125 11 N 14 0.706 0.6568 -0.2648 -0.5593 0.7465 0.3605 0.4344 -0.1064 0.8944 -0.0638 -0.0572 0.121 -2.461 -2.206 4.668 -0.878 -0.787 1.666 -0.821 -0.736 1.557 12 N 14 0.4386 0.8938 -0.0935 0.7915 -0.4334 -0.431 0.4257 -0.115 0.8975 -0.1517 -0.1457 0.2975 -25.98 -24.954 50.934 -9.27 -8.904 18.174 -8.666 -8.324 16.99 13 B 11 0.4945 -0.1519 0.8558 0.0397 0.9875 0.1523 0.8683 0.0414 -0.4944 -0.0043 0.0012 0.0031 -0.739 0.213 0.525 -0.264 0.076 0.187 -0.246 0.071 0.175 14 B 11 0.2771 -0.085 0.9571 0.1941 0.9805 0.0308 0.941 -0.1773 -0.2882 -0.0024 3.0E-4 0.0021 -1.268 0.146 1.123 -0.453 0.052 0.401 -0.423 0.049 0.374 15 H 1 0.7105 -0.313 0.6303 0.3351 0.9381 0.088 -0.6188 0.1487 0.7714 -0.0021 -4.0E-4 0.0024 -1.108 -0.195 1.303 -0.395 -0.07 0.465 -0.37 -0.065 0.435 16 H 1 0.4104 0.9081 -0.0836 0.5299 -0.1629 0.8323 0.7422 -0.3859 -0.548 -0.0258 0.0042 0.0217 -13.792 2.231 11.561 -4.921 0.796 4.125 -4.6 0.744 3.856 17 H 1 0.6007 0.7945 -0.0887 0.6665 -0.559 -0.4932 0.4414 -0.2372 0.8654 -0.0415 -0.0403 0.0818 -5.566 -5.404 10.97 -1.986 -1.928 3.915 -1.857 -1.803 3.659 18 C 13 0.6371 0.7403 -0.2146 0.6845 -0.4155 0.599 -0.3543 0.5285 0.7715 -0.0066 7.0E-4 0.0059 -3.52 0.385 3.135 -1.256 0.137 1.119 -1.174 0.128 1.046 19 H 1 0.4253 -0.1469 0.8931 0.902 -0.0121 -0.4315 0.0742 0.9891 0.1273 -0.0272 0.0094 0.0178 -3.648 1.265 2.383 -1.302 0.451 0.85 -1.217 0.422 0.795 20 C 13 0.9678 0.2243 -0.114 -0.227 0.9738 -0.0112 0.1086 0.0367 0.9934 -0.003 -0.001 0.0041 -1.618 -0.547 2.165 -0.577 -0.195 0.772 -0.54 -0.182 0.722 21 H 1 0.9462 0.1139 -0.3028 -0.2532 0.8433 -0.474 0.2014 0.5252 0.8268 -0.0026 -4.0E-4 0.003 -0.345 -0.058 0.403 -0.123 -0.021 0.144 -0.115 -0.019 0.134 22 C 13 0.2547 0.9541 0.1573 0.7536 -0.0939 -0.6506 0.606 -0.2842 0.7429 -0.0109 -0.0091 0.02 0.786 0.66 -1.447 0.281 0.236 -0.516 0.262 0.22 -0.483 23 O 17 0.8597 0.4707 -0.1984 -0.4065 0.8657 0.2923 0.3093 -0.1706 0.9355 -0.0461 -0.0438 0.0899 3.334 3.169 -6.503 1.19 1.131 -2.321 1.112 1.057 -2.169 24 O 17 0.0201 0.1853 0.9825 0.3985 0.8998 -0.1779 0.9169 -0.3951 0.0558 -0.0015 -0.0011 0.0026 -0.208 -0.144 0.351 -0.074 -0.051 0.125 -0.069 -0.048 0.117 25 C 13 0.2291 0.1638 0.9595 0.4413 0.8611 -0.2524 0.8676 -0.4813 -0.125 -0.0017 -0.0015 0.0031 -0.886 -0.779 1.664 -0.316 -0.278 0.594 -0.295 -0.26 0.555 26 H 1 0.0365 0.1472 0.9884 0.2447 0.9577 -0.1516 0.9689 -0.2474 0.0011 -9.0E-4 -9.0E-4 0.0018 -0.494 -0.456 0.95 -0.176 -0.163 0.339 -0.165 -0.152 0.317 27 H 1 -0.0711 0.2628 0.9622 0.4905 0.8492 -0.1957 0.8685 -0.4581 0.1893 -0.001 -8.0E-4 0.0018 -0.51 -0.446 0.957 -0.182 -0.159 0.341 -0.17 -0.149 0.319 28 H 1 -0.2621 0.9342 0.2422 -0.0621 -0.2668 0.9618 0.963 0.237 0.1279 -0.0064 0.0015 0.0049 -3.406 0.777 2.63 -1.215 0.277 0.938 -1.136 0.259 0.877 29 H 1 0.1979 0.9668 0.1614 0.3773 -0.2271 0.8978 0.9047 -0.1168 -0.4097 -0.0016 -4.0E-4 0.002 -0.21 -0.058 0.269 -0.075 -0.021 0.096 -0.07 -0.019 0.09 30 C 13 0.5082 -0.5428 0.6686 0.4691 0.8256 0.3137 0.7223 -0.1542 -0.6742 -0.0017 -0.0011 0.0028 -0.919 -0.573 1.492 -0.328 -0.205 0.532 -0.306 -0.191 0.498 31 H 1 0.2113 0.1869 0.9594 0.2459 0.9398 -0.2372 0.946 -0.286 -0.1526 -0.0018 -0.0011 0.0028 -0.936 -0.574 1.511 -0.334 -0.205 0.539 -0.312 -0.192 0.504 32 H 1 -0.1862 0.9447 0.2699 0.4023 -0.1773 0.8982 0.8964 0.2758 -0.347 -0.0018 -0.0015 0.0032 -0.943 -0.786 1.729 -0.337 -0.281 0.617 -0.315 -0.262 0.577 33 H 1 -0.1227 -0.2144 0.969 0.9906 0.0331 0.1328 -0.0605 0.9762 0.2083 -0.0026 -9.0E-4 0.0035 -0.349 -0.126 0.475 -0.125 -0.045 0.169 -0.116 -0.042 0.158 34 C 13 0.6168 -0.3114 0.723 0.757 0.4863 -0.4364 -0.2157 0.8164 0.5357 -0.0034 -0.0014 0.0048 -1.802 -0.754 2.556 -0.643 -0.269 0.912 -0.601 -0.251 0.853 35 H 1 -0.0501 -0.1163 0.9919 0.9046 0.4157 0.0944 -0.4233 0.9021 0.0844 -0.003 -0.0015 0.0044 -1.583 -0.789 2.371 -0.565 -0.281 0.846 -0.528 -0.263 0.791 36 H 1 0.8516 0.2781 -0.4444 0.5002 -0.1776 0.8475 -0.1567 0.944 0.2903 -0.0021 -0.0019 0.0039 -1.1 -1.004 2.103 -0.392 -0.358 0.751 -0.367 -0.335 0.702 37 H 1 0.5549 0.799 -0.2316 0.4271 -0.0348 0.9035 0.7139 -0.6003 -0.3606 -0.0019 -7.0E-4 0.0026 -0.255 -0.098 0.353 -0.091 -0.035 0.126 -0.085 -0.033 0.118 38 C 13 0.0248 -0.2318 0.9725 0.5209 0.8333 0.1853 0.8533 -0.502 -0.1414 -0.002 -0.0014 0.0035 -1.07 -0.772 1.841 -0.382 -0.275 0.657 -0.357 -0.257 0.614 39 H 1 0.7793 0.1203 0.6149 0.211 0.8737 -0.4383 -0.59 0.4714 0.6555 -0.0019 -0.0015 0.0034 -1.035 -0.787 1.822 -0.369 -0.281 0.65 -0.345 -0.263 0.608 40 H 1 0.7924 0.4799 -0.3767 0.4669 -0.0796 0.8807 -0.3926 0.8737 0.2872 -0.0022 -0.0017 0.0039 -1.164 -0.912 2.077 -0.415 -0.326 0.741 -0.388 -0.304 0.693 41 H 1 0.3333 0.1655 0.9282 -0.5191 0.854 0.0341 0.7871 0.4932 -0.3705 -0.0025 -0.0012 0.0037 -0.334 -0.166 0.501 -0.119 -0.059 0.179 -0.112 -0.055 0.167 42 C 13 0.2165 -0.0606 0.9744 -0.1589 0.9826 0.0964 0.9633 0.1757 -0.203 -0.0034 -0.0016 0.0051 -1.819 -0.88 2.699 -0.649 -0.314 0.963 -0.607 -0.293 0.9 43 H 1 0.6847 -0.1826 0.7056 -0.049 0.9544 0.2945 0.7272 0.2363 -0.6445 -0.0036 -0.0014 0.005 -1.906 -0.736 2.641 -0.68 -0.262 0.942 -0.636 -0.245 0.881 44 H 1 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) PT17598.500S 2024-12-19T13:48:28.000 -19.29763 -19.23425 -14.51560 -14.51417 -14.49833 -14.49548 -10.41950 -10.35220 -10.33985 -10.33892 -10.33749 -10.33738 -10.30564 -10.30457 -10.30386 -10.30379 -10.30228 -10.29891 -10.29167 -10.29090 -6.85600 -6.83575 -1.19700 -1.16550 -1.14851 -1.09993 -0.94865 -0.93812 -0.91152 -0.88790 -0.88199 -0.81652 -0.81096 -0.80951 -0.80641 -0.80090 -0.72160 -0.70847 -0.68327 -0.68170 -0.66905 -0.64815 -0.64730 -0.62023 -0.59149 -0.58622 -0.57534 -0.56902 -0.56048 -0.55492 -0.53149 -0.52341 -0.52034 -0.51764 -0.51286 -0.51077 -0.50868 -0.50462 -0.50244 -0.49352 -0.48874 -0.48525 -0.48262 -0.48028 -0.47765 -0.47295 -0.46048 -0.45017 -0.44153 -0.43848 -0.43755 -0.42472 -0.40354 -0.38430 -0.37307 -0.35716 -0.35424 -0.34032 -0.33456 -0.30750 -0.16911 0.02835 0.04742 0.11042 0.13171 0.13721 0.14159 0.14755 0.15268 0.15594 0.16510 0.16737 0.17477 0.18043 0.18793 0.18951 0.19260 0.19846 0.20630 0.20786 0.21543 0.21758 0.22827 0.23280 0.23458 0.23788 0.24131 0.24985 0.25353 0.26210 0.26393 0.26818 0.28545 0.29521 0.30496 0.30646 0.31111 0.31772 0.33552 0.34223 0.34480 0.35191 0.36014 0.37050 0.38458 0.38636 0.39510 0.40365 0.41071 0.41803 0.42790 0.44215 0.44951 0.46675 0.46976 0.47905 0.48704 0.49949 0.50349 0.51004 0.51256 0.51913 0.52344 0.53077 0.53554 0.54728 0.55151 0.55703 0.55953 0.56522 0.57264 0.57756 0.58414 0.59362 0.60108 0.61193 0.61671 0.62823 0.64111 0.65549 0.67285 0.67668 0.68072 0.68790 0.70240 0.70762 0.71497 0.71985 0.72524 0.72794 0.73372 0.73621 0.73879 0.74328 0.74658 0.74835 0.75132 0.75548 0.75924 0.76425 0.76677 0.77225 0.77661 0.77759 0.78279 0.78553 0.78804 0.78957 0.79874 0.80125 0.80706 0.80982 0.81720 0.82973 0.83605 0.83951 0.85001 0.86090 0.86630 0.87303 0.88620 0.88652 0.89146 0.89316 0.90454 0.91335 0.93300 0.94172 0.94862 0.96195 0.98018 0.98822 0.99824 1.01689 1.02926 1.04300 1.06001 1.08265 1.08813 1.11321 1.12792 1.13665 1.14870 1.15588 1.16335 1.17054 1.18503 1.20416 1.21994 1.22272 1.24184 1.24307 1.25066 1.25994 1.26628 1.26916 1.27993 1.29946 1.31880 1.32437 1.33226 1.34064 1.34993 1.36191 1.38399 1.39633 1.42262 1.42920 1.43530 1.44691 1.44870 1.47529 1.48646 1.50494 1.51900 1.53517 1.55953 1.58205 1.59726 1.60596 1.60952 1.61128 1.61655 1.62104 1.62332 1.62461 1.63245 1.63610 1.64887 1.65408 1.67401 1.67659 1.68368 1.69203 1.69858 1.71978 1.72082 1.73041 1.76054 1.77867 1.79106 1.79812 1.80908 1.81305 1.82123 1.82507 1.83172 1.83890 1.84452 1.85837 1.86346 1.86673 1.87043 1.87672 1.88032 1.88377 1.88440 1.88710 1.88825 1.89165 1.89499 1.90123 1.91349 1.92162 1.93225 1.93844 1.94017 1.95813 1.96471 1.97393 2.00314 2.01031 2.01510 2.02916 2.03041 2.04430 2.04714 2.06188 2.07998 2.08947 2.10619 2.11115 2.12074 2.13401 2.14692 2.15797 2.17294 2.17483 2.18496 2.19179 2.20191 2.21128 2.21508 2.23507 2.24269 2.26242 2.26786 2.28936 2.29339 2.31246 2.33428 2.33712 2.34138 2.35062 2.36300 2.36909 2.37502 2.38916 2.39246 2.40515 2.41749 2.45075 2.45584 2.47400 2.48050 2.50859 2.52308 2.53402 2.54466 2.55225 2.56047 2.56355 2.57735 2.58048 2.58842 2.60401 2.61209 2.62698 2.62978 2.64559 2.66530 2.67141 2.67695 2.73072 2.75120 2.75457 2.76843 2.77495 2.78576 2.79658 2.80020 2.82279 2.82818 2.83267 2.83930 2.84219 2.84525 2.86106 2.88073 2.90666 2.90884 2.92211 2.93198 2.94412 2.97990 3.00136 3.02704 3.03322 3.03618 3.04297 3.05350 3.05750 3.07311 3.09013 3.12860 3.13614 3.14479 3.15731 3.20449 3.23886 3.24943 3.29504 3.32156 3.35443 3.40858 3.43035 3.45655 3.47503 3.56763 3.57281 3.67674 3.73589 3.79344 -19.29752 -19.23370 -14.51738 -14.51618 -14.49768 -14.49449 -10.41951 -10.35220 -10.33842 -10.33678 -10.33575 -10.33485 -10.30481 -10.30477 -10.30401 -10.30391 -10.30255 -10.29907 -10.29215 -10.29136 -6.85199 -6.83584 -1.19665 -1.16482 -1.14797 -1.09906 -0.94613 -0.93596 -0.90841 -0.88555 -0.88140 -0.81482 -0.81009 -0.80887 -0.80616 -0.80024 -0.72016 -0.70701 -0.68250 -0.67525 -0.66737 -0.64783 -0.64385 -0.61943 -0.59112 -0.58286 -0.57363 -0.56599 -0.55773 -0.55307 -0.52841 -0.52279 -0.51951 -0.51570 -0.51208 -0.50886 -0.50557 -0.50338 -0.50091 -0.49286 -0.48709 -0.48432 -0.48171 -0.47987 -0.47747 -0.47232 -0.45809 -0.44971 -0.44041 -0.43740 -0.43471 -0.42314 -0.40002 -0.38261 -0.36160 -0.35538 -0.34950 -0.33586 -0.32844 -0.29933 0.01429 0.04198 0.06979 0.12535 0.13743 0.14212 0.14695 0.15005 0.15326 0.15797 0.16727 0.17004 0.17520 0.18105 0.18883 0.19090 0.19282 0.19889 0.20790 0.21223 0.21617 0.21846 0.22881 0.23349 0.23467 0.23858 0.24247 0.25167 0.25530 0.26281 0.26589 0.26853 0.28665 0.29801 0.30656 0.30820 0.31395 0.31889 0.33665 0.34381 0.34692 0.35353 0.36201 0.37209 0.38597 0.38692 0.39855 0.40777 0.41207 0.41882 0.42950 0.44458 0.45052 0.46741 0.47150 0.48012 0.49020 0.50234 0.50565 0.51114 0.51806 0.52009 0.52499 0.53398 0.53711 0.54804 0.55367 0.56098 0.56150 0.56846 0.57488 0.57894 0.58592 0.59514 0.60292 0.61257 0.62017 0.63084 0.64374 0.65706 0.67352 0.67726 0.68128 0.68947 0.70501 0.70975 0.71645 0.72132 0.72648 0.72841 0.73463 0.73664 0.73936 0.74427 0.74780 0.74890 0.75177 0.75615 0.75961 0.76482 0.76747 0.77263 0.77735 0.77873 0.78315 0.78594 0.78857 0.79001 0.80045 0.80208 0.80784 0.81090 0.81819 0.83053 0.83749 0.84072 0.85096 0.86234 0.86760 0.87410 0.88787 0.88868 0.89306 0.89529 0.90561 0.91397 0.93418 0.94298 0.94982 0.96263 0.98066 0.98893 0.99955 1.01845 1.03164 1.04537 1.06464 1.08445 1.08969 1.11651 1.13073 1.14271 1.14987 1.16029 1.16525 1.17279 1.18652 1.20540 1.22146 1.22331 1.24331 1.24391 1.25857 1.26475 1.26715 1.27202 1.28103 1.30191 1.32028 1.32519 1.33284 1.34274 1.35166 1.36285 1.38481 1.39684 1.42384 1.43084 1.43599 1.44971 1.45166 1.47599 1.48767 1.51886 1.52122 1.53553 1.56303 1.58300 1.59751 1.60693 1.61074 1.61270 1.61771 1.62371 1.62490 1.62658 1.63431 1.63755 1.64984 1.65553 1.67578 1.67820 1.68484 1.69277 1.70042 1.72217 1.72427 1.73287 1.76310 1.78038 1.79229 1.79969 1.81000 1.81394 1.82258 1.82715 1.83361 1.83971 1.84619 1.85982 1.86485 1.86854 1.87229 1.87783 1.88129 1.88497 1.88526 1.88809 1.88899 1.89320 1.89672 1.90323 1.91493 1.92369 1.93417 1.93952 1.94419 1.96021 1.96620 1.97584 2.00381 2.01245 2.01708 2.03152 2.03209 2.04527 2.04779 2.06231 2.08031 2.09093 2.10777 2.11225 2.12175 2.13491 2.14839 2.15891 2.17472 2.17677 2.18721 2.19248 2.20314 2.21247 2.21649 2.23739 2.24446 2.26314 2.27040 2.29062 2.29512 2.31452 2.33624 2.34089 2.34336 2.35296 2.36477 2.37186 2.37636 2.39033 2.39329 2.40548 2.41775 2.45058 2.45678 2.47426 2.48205 2.50978 2.52435 2.53515 2.54536 2.55412 2.56191 2.56549 2.57819 2.58161 2.58908 2.60508 2.61253 2.62806 2.63124 2.64639 2.66675 2.67264 2.67827 2.73204 2.75165 2.75665 2.77064 2.77752 2.78780 2.79789 2.80134 2.82363 2.82955 2.83311 2.83972 2.84355 2.84587 2.86246 2.88123 2.90685 2.90898 2.92289 2.93291 2.94485 2.98054 3.00177 3.02772 3.03390 3.03679 3.04368 3.05419 3.05814 3.07387 3.09062 3.12931 3.13650 3.14530 3.15842 3.20477 3.23943 3.25058 3.29538 3.32243 3.35491 3.40902 3.43077 3.45741 3.47578 3.56770 3.57312 3.67797 3.73604 3.79390 2-A. 3.51403920e-01 3.94061916e-01 -6.29248281e-01 2.62292567e+02 3.13515237e+01 3.10976731e+02 -1.64656732e+01 1.08001240e+01 1.66906008e+02 -7.5338 -4.7558 -0.0009 -0.0007 -0.0007 3.5057 21.1299 26.5186 44.0059 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 21.0931 26.5094 44.0028 50.1111 69.2266 75.1652 96.0797 109.1789 134.0236 134.4682 147.0167 152.1893 164.5366 175.0203 178.3271 189.0789 206.2707 210.2111 220.2975 224.5939 237.0532 242.9216 247.5661 269.2585 292.5199 340.0850 347.1263 380.4311 407.4632 484.1244 486.5646 496.4204 518.5950 550.1193 599.3217 606.5651 629.5450 637.4060 644.2927 659.8525 672.0316 675.3589 683.0422 717.2243 785.2841 818.2033 819.0590 821.4186 885.8342 888.6125 894.2863 948.6843 973.7286 987.2019 1000.9360 1007.0280 1009.3800 1015.5887 1019.6543 1032.5654 1053.4357 1055.0448 1059.0940 1061.3594 1068.5602 1109.9117 1130.6481 1145.9948 1166.8541 1175.8056 1177.1153 1183.3674 1213.1279 1216.7828 1218.8051 1285.0257 1293.3046 1309.4965 1330.5029 1341.9562 1400.6695 1403.3623 1405.8343 1407.7454 1416.8214 1427.6258 1443.0842 1450.8036 1453.5219 1456.2604 1456.9716 1457.4077 1461.4412 1468.1499 1474.8319 1479.4062 1486.9439 1494.8773 1524.4259 1543.5145 1560.7385 1564.3559 1608.0204 1618.6616 1705.6216 1848.2967 2406.3587 2510.8556 2707.9060 3043.6989 3050.0743 3057.0237 3058.2667 3061.1098 3128.5608 3141.5950 3144.1094 3148.3809 3155.2387 3173.8623 3175.0829 3177.9967 3178.7018 3180.2144 3195.2686 3225.2838 3282.4692 3286.0582 3287.9745 4.2003 5.0612 4.5700 3.7899 3.4320 4.2033 4.4411 4.5130 1.7576 1.1914 1.6927 1.5941 1.6110 2.7162 2.0652 1.6528 1.8150 1.5532 1.3164 2.6649 2.7360 3.5426 3.5731 3.1073 2.5904 3.9541 3.7321 4.2169 4.8341 3.1019 3.1730 1.3844 1.7332 2.5820 3.9356 4.0314 3.6855 3.7003 3.4080 3.4454 4.2082 4.4666 5.0333 4.9334 2.7744 2.1598 1.6994 1.2803 4.2004 2.9930 1.8564 2.3584 1.3271 1.2060 1.5341 1.4915 1.5161 1.3577 1.1598 1.7441 1.5159 1.5352 1.4653 1.5033 1.5915 1.5558 5.1397 4.1579 2.8717 1.4170 1.5914 1.3005 1.7785 1.5839 2.0139 3.8180 1.3059 3.6555 3.7999 5.6421 1.2939 1.3125 1.3206 1.3177 1.2674 3.0451 1.6305 1.2324 1.2216 1.0721 1.0549 1.0512 1.1524 1.0554 1.1961 1.2945 1.1409 1.8269 5.4983 7.9763 4.3423 4.2970 6.9785 7.2800 5.0859 10.9540 1.0733 1.0965 1.1004 1.0390 1.0388 1.0328 1.0381 1.0379 1.1023 1.1030 1.1029 1.1031 1.1065 1.0606 1.1035 1.1044 1.1039 1.1046 1.1079 1.0960 1.1182 1.1003 1.1006 0.0011 0.0021 0.0052 0.0056 0.0097 0.0140 0.0242 0.0317 0.0186 0.0127 0.0216 0.0218 0.0257 0.0490 0.0387 0.0348 0.0455 0.0404 0.0376 0.0792 0.0906 0.1232 0.1290 0.1327 0.1306 0.2694 0.2650 0.3596 0.4729 0.4283 0.4426 0.2010 0.2746 0.4604 0.8329 0.8739 0.8606 0.8858 0.8335 0.8839 1.1198 1.2003 1.3836 1.4952 1.0080 0.8519 0.6717 0.5090 1.9420 1.3925 0.8748 1.2506 0.7414 0.6925 0.9055 0.8912 0.9101 0.8251 0.7104 1.0956 0.9912 1.0069 0.9684 0.9977 1.0706 1.1292 3.8711 3.2173 2.3037 1.1543 1.2991 1.0730 1.5421 1.3816 1.7626 3.7146 1.2869 3.6932 3.9632 5.9864 1.4956 1.5229 1.5378 1.5386 1.4989 3.6566 2.0006 1.5284 1.5206 1.3395 1.3194 1.3156 1.4502 1.3403 1.5328 1.6693 1.4862 2.4054 7.5283 11.1963 6.2320 6.1957 10.6315 11.2381 8.7173 22.0479 3.6618 4.0729 4.7542 5.6712 5.6936 5.6865 5.7203 5.7303 6.3569 6.4141 6.4235 6.4420 6.4904 6.2945 6.5542 6.5721 6.5718 6.5821 6.6647 6.7176 7.0987 7.0002 7.0101 1.3602 0.6852 0.0642 0.9632 2.4184 0.8432 2.1912 12.8598 0.0109 2.5425 1.7010 0.1293 0.6943 0.1274 0.3813 0.4642 10.9076 3.2272 0.4512 2.6615 1.2206 0.2791 1.8208 11.6719 4.8270 2.4922 12.0910 2.5811 1.7268 3.1425 3.8484 47.5857 13.7503 5.4843 6.9340 0.5995 0.2093 1.5827 1.1626 1.8209 9.5863 0.9434 3.6108 2.1048 0.8010 22.1210 60.7888 31.2200 6.9511 2.9161 21.4605 4.4713 33.3730 36.3850 2.9377 1.6251 0.2056 0.9336 6.8947 14.1517 6.5426 3.9165 2.8237 4.7684 54.9386 15.8472 7.7497 69.1035 67.7408 3.5114 1.7527 2.2926 23.3107 5.1880 30.2784 155.9880 29.9761 221.0260 390.5129 2.0210 3.0548 12.1005 10.0044 3.0274 49.6435 39.3745 4.0441 36.1693 36.4308 5.6531 0.1145 15.6835 18.3274 11.6071 49.4778 60.7713 3.5527 4.3918 2.2190 64.0395 14.2800 24.2735 45.6939 84.9811 51.7841 198.0821 176.5060 183.4889 47.9696 56.2985 50.2440 38.4961 25.5155 24.6753 1.8695 1.6018 3.7687 2.9968 17.1966 3.4542 2.7517 6.1264 4.2255 4.8794 9.5826 0.4412 0.6303 1.2485 0.8502 0.00 0.00 0.01 -0.04 -0.00 -0.08 -0.02 0.00 -0.07 -0.03 0.00 -0.10 -0.00 -0.00 0.03 -0.03 -0.00 -0.02 -0.03 0.02 0.05 -0.07 0.00 -0.00 -0.06 0.01 0.02 -0.08 0.02 0.01 -0.02 0.01 0.05 -0.04 -0.00 0.02 0.01 0.01 0.08 -0.01 -0.03 0.04 -0.02 -0.02 0.10 0.05 -0.07 0.02 0.02 0.01 0.10 0.27 0.09 -0.07 0.35 0.16 -0.06 0.17 0.11 0.01 0.16 0.19 0.08 0.06 0.02 0.02 0.06 -0.08 -0.07 -0.02 0.04 0.10 -0.04 -0.17 -0.06 -0.12 -0.18 -0.01 -0.03 -0.25 -0.14 -0.06 -0.16 -0.04 0.27 -0.00 -0.13 -0.08 -0.01 -0.14 -0.13 -0.05 -0.12 -0.04 0.02 -0.15 -0.09 -0.01 -0.21 0.03 0.01 0.05 0.08 0.01 0.07 0.00 -0.00 0.10 0.03 0.01 0.02 -0.10 -0.00 -0.04 -0.09 -0.04 -0.06 -0.11 0.02 -0.04 -0.12 0.00 -0.07 -0.02 0.03 0.07 -0.02 0.02 0.07 -0.00 0.05 0.06 -0.02 0.03 0.09 -0.09 -0.00 0.03 -0.11 0.05 -0.05 -0.12 0.04 -0.04 -0.16 0.05 -0.07 -0.05 -0.01 0.05 -0.07 0.02 -0.00 -0.01 -0.04 0.02 -0.02 -0.00 -0.03 -0.02 -0.02 -0.03 -0.02 -0.03 -0.06 -0.02 -0.02 0.04 -0.02 -0.00 0.01 -0.03 -0.03 0.08 -0.01 0.00 0.05 -0.00 0.04 0.12 0.06 -0.04 0.03 -0.02 -0.05 0.11 -0.03 -0.08 0.04 -0.09 -0.15 0.05 0.07 -0.11 -0.00 0.09 -0.19 -0.02 0.15 -0.03 -0.02 0.13 0.07 0.01 0.24 -0.05 -0.06 0.21 0.15 0.00 0.26 0.11 -0.01 0.17 0.23 0.02 0.28 0.16 -0.01 -0.05 0.00 0.06 -0.14 0.09 -0.12 -0.18 0.05 -0.10 -0.08 0.12 -0.13 -0.18 0.11 -0.18 -0.08 -0.03 0.07 -0.05 -0.05 0.07 -0.10 -0.03 0.09 -0.10 -0.02 0.08 -0.03 0.02 -0.07 -0.03 0.00 -0.07 -0.03 0.07 -0.06 -0.03 0.02 -0.11 -0.01 -0.06 0.03 -0.01 -0.03 0.05 -0.01 -0.09 0.05 -0.01 -0.06 0.00 -0.02 -0.05 0.00 -0.05 -0.01 -0.08 -0.05 -0.02 -0.05 -0.06 -0.01 -0.06 -0.01 -0.05 -0.00 -0.02 -0.02 -0.05 0.03 -0.07 -0.02 0.10 -0.06 0.09 0.08 -0.07 0.04 0.10 -0.08 0.06 0.02 -0.06 -0.01 0.06 -0.05 0.05 -0.00 -0.06 -0.01 0.01 -0.04 -0.00 0.03 -0.00 -0.02 -0.03 -0.09 0.00 -0.01 -0.07 -0.02 -0.02 0.11 0.01 -0.00 0.11 0.03 0.00 0.10 0.07 0.03 0.08 0.14 -0.02 0.11 0.04 -0.07 0.12 -0.06 0.01 0.10 0.09 -0.11 0.14 -0.12 -0.18 0.12 -0.06 -0.15 0.16 -0.20 -0.03 0.15 -0.13 -0.05 0.13 -0.07 -0.07 0.02 -0.14 -0.11 0.01 -0.13 -0.03 0.04 -0.16 -0.09 0.03 -0.17 -0.00 -0.07 0.06 0.02 -0.11 0.06 -0.02 -0.04 0.09 0.00 -0.07 0.09 0.15 -0.06 0.18 0.12 -0.00 0.21 0.19 -0.10 0.17 0.18 -0.06 0.21 -0.01 -0.08 -0.09 0.03 -0.05 -0.10 -0.06 -0.10 -0.07 -0.02 -0.08 -0.15 -0.04 -0.01 -0.04 -0.03 -0.01 -0.01 -0.03 -0.01 -0.02 -0.03 -0.01 -0.01 -0.04 -0.00 -0.04 -0.03 -0.01 -0.02 -0.03 -0.01 -0.03 0.02 -0.02 0.07 0.00 -0.02 0.04 0.02 -0.02 0.08 -0.04 -0.01 -0.05 -0.01 -0.01 0.01 -0.05 -0.00 -0.07 -0.03 -0.01 -0.01 -0.02 -0.00 -0.02 -0.04 -0.02 -0.01 -0.06 -0.00 -0.08 0.03 0.09 -0.14 0.02 0.13 -0.23 0.01 0.09 -0.12 -0.03 0.14 -0.18 0.03 0.04 -0.01 0.10 -0.02 0.08 -0.01 0.05 -0.01 0.17 -0.08 0.25 0.27 -0.13 0.20 0.22 -0.12 0.32 0.07 -0.04 0.34 0.07 0.04 -0.08 -0.01 -0.01 0.02 0.01 -0.01 0.02 -0.03 -0.01 0.03 -0.01 -0.01 0.03 -0.05 -0.00 -0.05 -0.06 -0.01 -0.05 -0.04 0.00 -0.06 -0.04 -0.01 -0.04 0.06 -0.03 0.16 0.04 0.02 0.19 0.10 -0.09 0.15 0.08 -0.03 0.20 -0.05 -0.01 -0.07 -0.05 -0.04 -0.10 -0.08 0.02 -0.08 -0.04 -0.02 -0.05 0.02 -0.02 0.08 -0.01 -0.01 0.02 0.04 -0.03 0.11 0.07 -0.05 0.19 -0.03 0.01 -0.02 -0.04 0.01 -0.06 0.04 -0.01 0.09 0.01 0.01 0.03 0.06 -0.01 0.13 0.11 -0.02 0.21 -0.02 0.01 -0.02 -0.04 0.02 -0.06 -0.03 0.01 -0.04 -0.13 0.05 -0.16 -0.12 0.03 -0.33 -0.29 0.12 -0.11 -0.03 0.01 -0.03 -0.02 0.00 -0.10 -0.03 0.01 -0.12 -0.02 0.00 -0.11 -0.03 0.00 -0.13 0.00 0.00 -0.08 0.00 0.00 -0.08 0.02 -0.00 -0.05 0.02 0.00 -0.06 0.02 -0.03 -0.05 0.01 0.01 -0.07 0.03 0.02 -0.04 -0.01 0.00 -0.07 -0.02 -0.00 -0.00 -0.03 0.13 -0.05 -0.06 -0.10 -0.09 0.03 -0.03 0.12 0.05 -0.03 0.15 0.04 -0.11 0.13 0.05 0.03 0.16 0.08 -0.05 0.23 0.01 0.01 0.03 0.04 0.09 -0.05 -0.08 -0.07 -0.01 0.06 -0.00 0.13 0.07 -0.02 0.17 -0.00 -0.08 0.17 0.13 0.06 0.13 0.12 -0.03 0.29 -0.08 -0.02 -0.09 -0.02 -0.02 0.04 -0.06 -0.02 -0.04 -0.08 -0.01 -0.05 -0.05 -0.03 -0.05 -0.01 -0.03 0.02 0.06 -0.07 0.08 0.01 -0.04 -0.04 0.05 -0.06 0.04 0.07 -0.07 0.07 0.02 -0.05 0.02 -0.01 -0.04 -0.04 -0.02 -0.05 -0.01 -0.00 -0.02 -0.01 -0.00 -0.02 -0.00 0.01 0.00 -0.01 -0.03 -0.06 -0.01 0.09 0.09 0.06 0.12 0.10 0.08 0.05 0.10 0.04 0.04 0.12 0.03 0.01 0.09 -0.00 0.03 0.08 0.03 -0.04 0.11 -0.06 -0.00 0.08 -0.02 -0.01 0.16 -0.05 0.03 0.07 0.02 -0.05 0.03 -0.07 0.10 0.06 0.06 0.03 -0.03 0.14 0.12 -0.08 0.15 0.01 0.00 0.22 0.02 -0.02 0.14 -0.13 -0.01 -0.18 -0.17 0.04 -0.17 -0.10 -0.05 -0.22 -0.15 0.00 -0.21 -0.02 -0.02 -0.12 0.01 -0.01 -0.19 -0.10 0.01 -0.13 -0.01 -0.02 -0.12 0.10 -0.09 0.18 0.03 -0.12 0.21 0.17 -0.07 0.16 0.14 -0.11 0.25 -0.04 0.03 -0.08 0.00 0.00 0.01 -0.02 0.01 -0.05 -0.02 0.02 -0.05 -0.03 0.02 -0.05 -0.01 0.01 -0.01 0.01 0.01 0.03 -0.00 0.01 -0.00 0.01 0.00 0.03 0.02 0.00 0.05 0.00 0.01 -0.01 -0.01 0.01 -0.02 -0.01 0.01 -0.02 -0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.12 0.03 -0.18 -0.17 0.03 -0.24 -0.01 -0.03 -0.00 0.04 -0.07 0.09 0.06 -0.04 0.10 -0.05 0.00 -0.09 0.19 -0.08 0.31 -0.02 -0.02 -0.02 -0.11 -0.32 0.17 -0.17 0.05 -0.30 0.25 0.17 0.12 -0.17 0.07 -0.26 0.04 -0.02 0.09 0.11 -0.07 0.10 0.02 0.02 0.17 0.03 -0.01 0.08 -0.04 0.04 -0.11 0.00 0.10 -0.08 -0.05 -0.02 -0.09 -0.06 0.05 -0.19 -0.01 0.01 -0.02 0.00 0.02 -0.04 -0.04 -0.01 -0.02 -0.00 0.00 0.01 0.03 0.01 0.05 0.00 -0.02 0.04 0.05 0.05 0.03 0.04 0.01 0.10 -0.02 0.00 -0.03 -0.01 -0.01 -0.00 0.01 -0.02 0.05 0.05 -0.03 0.13 -0.06 0.02 -0.12 -0.06 0.02 -0.11 -0.04 0.02 -0.06 -0.01 0.02 -0.00 -0.00 0.01 0.01 0.02 0.01 0.05 -0.05 0.02 -0.08 -0.04 0.02 -0.08 -0.07 0.03 -0.14 -0.11 0.04 -0.15 -0.10 0.03 -0.25 -0.20 0.06 -0.12 -0.04 0.02 -0.09 0.16 -0.07 0.23 0.20 -0.06 0.28 0.11 -0.04 0.18 0.11 -0.03 0.18 0.08 -0.03 0.11 0.05 -0.02 0.07 0.06 -0.02 0.08 0.00 0.01 -0.03 -0.07 0.04 -0.00 -0.02 0.02 -0.07 0.05 -0.02 -0.08 0.16 -0.09 0.22 0.02 -0.02 0.07 0.07 0.17 -0.01 -0.09 -0.16 -0.01 0.10 -0.06 0.27 -0.01 0.00 -0.00 -0.03 -0.04 -0.02 0.00 0.06 -0.01 0.02 -0.01 0.05 0.02 0.01 0.05 0.03 0.10 0.02 -0.02 -0.09 0.02 0.07 -0.01 0.17 -0.05 0.02 -0.09 -0.04 0.01 -0.11 -0.08 0.02 -0.09 -0.05 0.01 -0.10 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.02 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 0.01 0.00 0.02 -0.01 0.01 -0.02 -0.01 0.01 -0.02 -0.02 0.01 -0.03 0.01 -0.00 0.00 0.01 0.01 0.05 0.06 -0.03 -0.01 -0.00 0.01 -0.00 -0.06 0.03 -0.12 -0.09 0.03 -0.16 0.03 -0.02 0.05 0.08 -0.05 0.14 0.04 -0.02 0.06 0.07 -0.03 0.12 -0.01 -0.01 -0.00 -0.04 0.02 -0.08 -0.00 0.44 -0.30 0.13 -0.07 0.23 -0.32 -0.26 -0.32 -0.12 0.06 -0.24 0.00 -0.01 0.02 0.03 -0.22 0.10 0.08 0.15 0.16 -0.08 0.03 -0.17 0.01 -0.00 0.03 0.00 -0.03 0.01 0.01 0.04 0.02 0.03 -0.01 0.06 0.00 0.00 0.01 -0.00 0.01 0.03 0.02 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.01 -0.01 -0.01 0.01 0.02 0.02 0.00 0.02 -0.00 0.04 -0.00 -0.00 -0.00 0.01 -0.00 0.02 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.02 0.02 -0.01 0.03 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.01 0.01 -0.01 0.02 0.01 -0.00 0.02 -0.01 0.00 0.01 -0.01 -0.02 -0.03 -0.04 0.02 0.02 0.01 -0.00 0.02 -0.02 0.01 -0.05 -0.03 0.02 -0.07 0.01 -0.00 0.01 0.03 -0.01 0.05 0.01 -0.01 0.02 0.02 -0.01 0.03 0.00 -0.00 0.00 -0.01 0.01 -0.02 0.00 0.12 -0.08 0.04 -0.02 0.07 -0.09 -0.07 -0.09 -0.04 0.03 -0.09 -0.01 0.03 -0.04 -0.06 0.55 -0.23 -0.19 -0.36 -0.38 0.19 -0.06 0.42 -0.02 0.01 -0.05 -0.05 0.04 -0.05 -0.00 -0.01 -0.08 -0.03 0.01 -0.07 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.02 -0.01 -0.00 -0.02 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.02 -0.01 -0.01 0.00 0.02 -0.01 0.00 0.05 -0.01 -0.01 -0.05 -0.00 0.01 -0.05 -0.01 0.02 -0.01 -0.03 -0.01 -0.03 -0.03 0.01 -0.01 -0.03 0.01 0.01 -0.01 0.00 -0.05 -0.02 -0.01 -0.06 -0.01 0.00 -0.07 0.10 -0.04 0.06 0.07 -0.03 0.28 0.30 -0.13 0.00 -0.01 0.00 -0.06 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.04 -0.07 0.06 -0.05 0.02 -0.08 0.07 0.05 0.03 -0.00 0.00 0.02 0.01 0.05 0.01 0.04 0.17 -0.04 -0.03 -0.04 -0.05 0.05 0.04 0.14 -0.01 -0.05 0.05 -0.00 -0.12 0.03 -0.02 -0.02 0.06 -0.02 -0.06 0.11 0.00 -0.03 0.06 -0.13 -0.30 0.37 0.36 0.17 0.16 -0.18 0.01 -0.26 0.04 0.04 0.08 -0.02 0.01 0.10 0.14 0.10 0.04 0.06 0.05 0.19 0.02 0.01 0.00 -0.00 -0.03 0.01 0.02 -0.02 -0.01 0.03 -0.02 -0.03 -0.01 0.01 0.03 -0.02 -0.01 0.03 -0.01 -0.02 -0.00 0.00 0.03 -0.03 0.01 -0.00 -0.04 0.02 -0.01 -0.06 -0.02 0.00 0.02 -0.02 0.02 0.01 -0.01 0.01 0.05 -0.07 0.03 -0.04 -0.07 0.01 -0.14 -0.16 0.09 -0.02 -0.01 0.01 0.05 0.01 -0.00 0.01 0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 -0.01 0.01 0.03 -0.03 0.02 -0.01 0.02 -0.03 -0.02 -0.02 0.01 -0.01 0.02 -0.02 -0.08 -0.02 -0.06 -0.11 -0.00 -0.03 -0.08 -0.01 0.00 -0.10 -0.06 0.03 0.06 -0.04 0.01 0.12 -0.03 0.03 0.05 -0.05 0.05 0.06 -0.10 0.08 0.07 0.02 -0.07 -0.22 0.38 0.47 0.38 0.16 -0.09 0.10 -0.40 -0.01 -0.07 0.02 -0.02 -0.05 0.06 -0.01 -0.13 0.05 0.01 -0.09 -0.03 -0.01 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.02 0.01 -0.01 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 0.01 -0.01 0.00 0.01 -0.01 0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.04 -0.02 0.06 0.05 -0.02 0.07 -0.03 0.01 -0.06 -0.07 0.04 -0.12 -0.02 0.00 -0.03 -0.06 0.02 -0.11 0.04 -0.02 0.10 0.03 0.00 0.02 0.30 0.32 -0.30 0.28 -0.11 0.51 -0.44 -0.20 -0.05 0.08 -0.05 0.15 0.01 0.02 0.02 0.04 0.03 0.01 0.01 0.03 0.02 0.00 0.03 0.03 -0.01 -0.02 0.00 -0.02 -0.04 -0.01 -0.01 -0.00 -0.00 -0.01 -0.02 0.03 -0.01 -0.02 0.00 -0.03 -0.07 0.03 0.02 0.00 0.01 -0.05 -0.01 -0.04 0.01 0.02 0.00 0.01 0.02 -0.01 0.01 0.04 -0.01 -0.00 0.03 0.02 -0.02 0.02 -0.07 -0.03 -0.00 -0.07 -0.02 0.00 -0.08 0.01 -0.01 -0.04 -0.05 0.02 -0.09 -0.06 0.02 -0.10 0.03 -0.02 0.07 0.04 0.01 0.06 0.05 -0.01 0.07 0.04 -0.01 0.04 0.02 -0.00 0.08 0.03 0.01 0.09 -0.02 0.01 0.00 0.02 -0.03 0.05 0.03 0.03 0.14 0.06 -0.19 0.03 -0.01 0.02 0.01 -0.01 0.00 -0.03 -0.00 0.00 -0.02 0.00 -0.00 0.01 0.02 -0.01 0.04 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.02 0.00 -0.03 0.01 0.00 0.02 0.04 -0.00 0.00 0.02 -0.00 0.05 -0.02 0.00 0.03 -0.03 0.01 -0.07 0.04 -0.06 0.10 0.18 0.10 0.02 -0.15 -0.21 0.10 0.17 -0.13 0.33 0.08 -0.01 0.12 0.26 -0.04 0.15 -0.03 0.01 0.29 0.08 -0.01 0.08 -0.01 0.08 -0.11 0.01 -0.06 -0.12 -0.03 0.29 -0.06 -0.06 0.08 -0.31 -0.05 -0.04 -0.08 0.02 -0.03 -0.14 -0.18 -0.06 -0.05 -0.06 -0.04 -0.17 0.02 0.01 0.02 -0.00 -0.03 0.01 0.04 -0.02 0.03 0.06 -0.03 0.04 -0.03 0.02 -0.00 -0.04 0.01 0.00 -0.01 -0.02 -0.02 0.01 0.03 -0.02 0.02 -0.01 -0.01 0.05 -0.02 0.01 -0.05 0.01 -0.04 -0.05 0.03 -0.04 -0.06 0.02 -0.05 0.09 -0.02 0.12 0.06 -0.00 0.39 0.35 -0.12 0.04 -0.06 0.02 -0.04 0.00 -0.01 0.02 -0.01 -0.01 0.02 -0.01 0.00 -0.01 -0.02 0.01 -0.03 -0.01 0.00 -0.00 -0.02 0.01 -0.03 0.01 -0.00 0.02 0.00 -0.00 0.01 0.05 0.02 -0.03 0.04 -0.02 0.07 -0.06 -0.02 0.02 0.01 -0.01 0.05 -0.05 -0.10 -0.05 -0.13 -0.02 -0.07 -0.10 -0.20 -0.12 0.04 -0.15 -0.01 0.05 0.07 -0.01 -0.06 0.04 -0.05 0.09 0.18 -0.08 0.14 0.03 0.07 0.07 0.09 -0.01 0.12 0.35 -0.17 -0.13 -0.08 -0.08 0.26 0.04 0.23 0.01 -0.09 0.05 -0.07 -0.12 0.09 0.04 -0.08 0.04 0.07 -0.12 0.08 -0.02 0.01 -0.04 -0.01 0.01 -0.03 -0.03 0.02 -0.09 -0.05 0.03 -0.12 0.00 0.00 0.01 0.01 -0.00 0.01 -0.03 0.00 -0.04 -0.02 0.01 -0.04 -0.04 0.01 -0.08 -0.04 0.01 -0.09 -0.02 0.00 -0.02 -0.02 0.00 -0.03 0.02 -0.00 0.06 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.03 -0.01 0.03 -0.00 0.08 -0.01 0.00 0.03 -0.04 -0.01 -0.01 -0.02 0.01 -0.06 -0.06 0.03 -0.14 0.01 0.00 -0.00 0.03 -0.01 0.03 0.01 0.00 0.00 -0.02 -0.01 -0.03 -0.06 0.04 -0.03 -0.01 -0.02 -0.04 -0.01 -0.04 -0.07 0.04 -0.01 0.13 0.03 -0.01 0.06 0.10 0.06 0.02 -0.06 -0.07 0.07 0.08 -0.04 0.17 0.03 -0.00 0.06 0.40 0.19 0.22 -0.14 -0.26 0.34 -0.10 0.07 -0.28 0.03 -0.01 0.07 0.04 0.16 0.03 -0.01 -0.18 0.02 0.13 -0.03 0.26 0.02 -0.03 0.06 0.02 0.09 0.19 0.09 -0.18 0.12 -0.02 -0.02 -0.05 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.02 0.00 0.00 -0.00 -0.01 0.00 -0.02 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.00 -0.04 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.01 0.01 0.04 -0.01 0.01 -0.01 0.04 0.03 -0.01 -0.06 0.13 0.01 0.05 0.06 -0.04 0.15 0.17 -0.07 0.41 -0.04 -0.02 -0.01 -0.08 0.02 -0.07 -0.04 -0.01 -0.05 0.05 0.04 0.07 0.20 -0.02 0.00 0.08 0.06 0.19 -0.01 0.07 0.15 -0.09 0.01 -0.37 -0.01 -0.01 -0.01 -0.03 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02 -0.02 0.00 0.00 0.01 0.25 0.20 0.14 -0.11 -0.25 0.19 -0.12 0.07 -0.30 0.02 -0.00 0.02 0.01 0.04 0.03 0.03 -0.04 0.01 0.04 -0.01 0.05 0.01 0.02 0.00 -0.05 -0.10 -0.08 0.03 0.18 -0.07 0.07 0.01 0.17 -0.00 0.01 -0.02 -0.01 0.01 -0.04 -0.02 0.01 -0.06 -0.02 0.01 -0.06 0.00 0.01 -0.00 -0.01 0.01 -0.02 -0.02 0.00 -0.03 -0.02 0.00 -0.03 -0.05 0.01 -0.09 -0.07 0.01 -0.13 0.01 -0.00 0.03 0.02 -0.00 0.03 0.02 -0.01 0.04 -0.02 0.00 -0.02 -0.01 0.02 -0.07 -0.08 -0.01 -0.00 0.01 -0.00 0.02 -0.01 0.01 -0.03 0.01 -0.01 0.04 0.03 -0.02 0.07 0.10 -0.06 0.19 -0.01 0.00 -0.01 -0.02 0.00 -0.05 -0.01 0.00 -0.03 0.02 -0.02 0.03 0.07 -0.06 0.02 0.03 -0.02 0.05 -0.01 0.02 0.09 -0.08 0.05 -0.17 0.03 0.00 0.05 0.11 0.03 0.02 -0.04 -0.02 0.08 0.05 -0.01 0.12 0.02 0.01 0.02 -0.26 -0.26 -0.15 0.14 0.34 -0.18 0.19 -0.08 0.41 0.02 -0.02 0.05 0.01 0.08 0.04 0.01 -0.12 0.02 0.06 -0.02 0.15 0.02 -0.02 0.06 0.06 0.15 0.21 0.09 -0.24 0.15 -0.05 0.00 -0.12 -0.01 0.01 -0.02 -0.01 -0.00 -0.02 -0.04 0.01 -0.08 -0.05 0.02 -0.13 0.01 -0.01 0.04 0.01 -0.01 0.05 -0.00 -0.00 -0.01 0.00 0.00 -0.02 -0.01 0.00 -0.04 -0.02 0.00 -0.06 0.01 -0.00 0.01 0.01 -0.00 0.01 0.00 -0.00 0.01 -0.02 0.01 0.00 -0.01 -0.00 -0.07 -0.07 0.06 0.02 -0.05 0.01 -0.09 0.03 -0.01 -0.01 0.05 0.02 -0.03 -0.02 0.00 -0.02 -0.04 0.04 -0.06 -0.01 -0.01 0.01 -0.00 -0.00 0.03 -0.00 -0.01 0.01 -0.00 0.03 -0.01 -0.02 0.03 0.00 -0.03 0.07 -0.04 0.05 0.03 -0.04 0.06 -0.06 0.03 0.00 -0.03 0.02 0.03 -0.00 0.01 -0.06 -0.07 0.03 0.05 -0.06 0.08 0.01 -0.01 0.04 -0.06 -0.14 -0.03 0.04 0.14 -0.01 0.08 -0.04 0.21 0.02 0.01 0.00 0.02 0.05 0.00 0.02 -0.02 -0.00 0.05 0.00 0.03 0.01 0.02 -0.01 -0.19 -0.35 -0.24 0.03 0.49 -0.24 0.20 -0.03 0.47 0.01 0.00 0.00 0.01 0.01 -0.01 0.01 0.00 0.01 0.01 0.00 0.02 0.00 0.00 -0.01 0.00 0.01 -0.02 -0.01 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.02 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.00 0.01 0.01 -0.01 0.01 0.01 -0.01 0.05 0.04 -0.03 -0.00 0.02 0.00 0.04 0.19 -0.07 -0.12 0.33 0.12 -0.21 -0.05 -0.00 -0.05 -0.13 0.17 -0.09 -0.08 -0.08 0.03 -0.09 0.00 0.09 -0.04 -0.09 0.04 0.03 0.19 -0.00 0.06 0.16 -0.01 -0.08 0.36 -0.01 0.21 0.19 -0.08 0.29 -0.31 -0.10 0.01 0.03 -0.00 0.03 0.02 -0.00 0.02 0.04 0.00 -0.00 0.04 0.00 0.01 0.00 -0.01 -0.04 -0.02 -0.03 0.03 0.04 -0.04 0.03 -0.01 0.04 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.02 -0.00 0.01 -0.01 -0.03 0.01 0.07 0.14 0.13 -0.02 -0.25 0.12 -0.09 -0.02 -0.21 -0.02 -0.04 0.00 -0.01 -0.04 0.01 -0.01 -0.03 0.02 -0.01 -0.04 0.03 -0.01 -0.03 -0.01 -0.02 -0.03 -0.01 0.01 0.05 -0.01 0.02 0.04 -0.00 -0.00 0.04 -0.03 -0.02 0.04 -0.05 0.03 0.02 0.01 0.03 0.03 0.03 0.01 -0.00 0.03 0.00 -0.01 -0.01 0.01 0.01 -0.02 -0.01 -0.02 -0.01 0.02 -0.00 0.04 0.01 -0.00 -0.01 0.01 0.01 -0.02 -0.00 0.00 -0.01 -0.01 0.02 -0.02 -0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.00 0.02 -0.00 -0.00 0.02 -0.00 0.01 0.00 -0.01 0.02 -0.02 0.00 -0.05 -0.15 -0.01 -0.11 -0.16 -0.00 -0.11 -0.21 -0.02 0.05 -0.22 -0.04 -0.13 -0.16 -0.00 -0.11 -0.23 -0.02 -0.10 -0.25 -0.03 -0.25 -0.12 0.05 0.09 0.13 -0.02 0.09 0.24 -0.04 0.04 0.16 -0.02 0.21 0.09 -0.02 0.06 0.20 0.01 0.19 0.37 0.07 0.14 0.07 0.05 -0.12 0.29 -0.09 0.05 -0.07 -0.03 0.08 -0.00 -0.03 0.03 -0.02 -0.04 -0.00 -0.01 -0.05 0.09 -0.07 -0.02 0.11 -0.04 -0.01 -0.09 -0.00 0.02 -0.04 0.06 0.04 -0.04 0.02 0.02 -0.02 0.00 0.01 -0.10 0.03 0.03 -0.08 0.05 0.04 -0.00 0.03 -0.03 -0.02 -0.03 0.00 -0.05 -0.11 -0.03 -0.06 -0.03 0.01 0.01 0.11 -0.08 -0.01 0.00 0.01 -0.01 -0.01 0.02 0.01 -0.00 0.02 0.03 -0.02 0.05 0.00 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 0.01 0.00 -0.01 0.00 0.02 -0.01 -0.00 0.01 -0.01 0.02 -0.01 -0.00 0.02 -0.03 0.02 -0.03 0.11 0.14 -0.03 0.18 0.12 -0.03 0.22 0.23 -0.02 -0.01 0.22 -0.03 -0.03 -0.18 -0.03 -0.02 -0.24 -0.05 -0.02 -0.24 -0.05 -0.13 -0.14 0.01 0.04 0.19 -0.00 0.04 0.32 -0.03 -0.03 0.25 0.00 0.18 0.15 -0.02 -0.10 -0.12 0.05 -0.21 -0.20 0.05 -0.13 -0.07 0.04 0.01 -0.18 0.10 0.01 -0.01 0.03 0.00 -0.01 0.01 0.07 -0.04 0.16 0.13 -0.07 0.29 -0.05 0.02 -0.12 -0.07 0.03 -0.16 -0.03 -0.00 -0.04 -0.00 -0.01 0.01 -0.09 0.01 -0.19 -0.17 0.03 -0.33 0.05 -0.02 0.12 0.10 -0.03 0.20 -0.01 -0.00 -0.01 -0.02 -0.04 0.01 0.03 0.07 -0.03 -0.14 -0.23 0.03 -0.03 0.02 -0.07 0.01 0.00 -0.01 0.01 0.01 -0.03 -0.01 0.01 -0.03 -0.03 0.02 -0.06 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.01 0.00 0.01 -0.01 -0.01 0.02 -0.01 -0.01 0.02 -0.01 0.01 0.00 -0.02 0.03 -0.02 0.02 -0.00 0.05 -0.03 -0.01 0.01 -0.01 0.07 0.11 -0.02 -0.07 0.09 -0.07 -0.00 0.03 -0.05 0.08 0.21 0.03 -0.03 -0.13 -0.00 -0.06 0.07 -0.28 0.01 0.00 0.01 0.02 0.07 -0.02 -0.03 -0.04 -0.00 0.06 -0.01 0.07 0.02 -0.02 0.06 -0.15 -0.19 0.03 0.13 0.18 -0.05 0.14 -0.06 0.33 0.03 -0.02 0.06 -0.03 0.01 -0.07 0.02 -0.02 0.06 0.05 -0.03 0.11 0.00 -0.01 0.00 -0.06 0.02 -0.15 0.02 -0.02 0.07 -0.04 0.01 -0.07 0.01 -0.01 0.04 0.03 -0.02 0.08 0.00 -0.01 0.03 -0.07 0.01 -0.12 0.11 -0.04 0.28 0.02 -0.03 -0.04 0.01 -0.00 0.16 0.21 -0.14 -0.10 0.21 -0.06 0.48 -0.01 0.01 0.00 -0.02 -0.00 0.01 -0.01 0.01 -0.02 -0.01 -0.00 -0.02 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.02 -0.00 0.01 -0.01 -0.01 -0.02 -0.01 -0.00 -0.01 -0.01 0.01 0.02 0.03 0.02 0.05 0.16 0.03 0.03 -0.03 0.02 0.11 0.03 0.03 0.13 -0.02 0.01 -0.07 -0.17 0.05 -0.09 0.06 0.01 -0.19 -0.00 0.00 -0.05 0.04 0.02 0.04 0.00 0.15 0.10 0.09 -0.07 0.03 0.12 0.00 0.13 -0.04 0.02 -0.06 -0.03 -0.14 -0.25 -0.16 0.23 -0.15 0.01 0.01 0.07 -0.02 -0.05 0.00 -0.03 -0.05 0.00 -0.04 -0.06 -0.02 -0.05 -0.06 -0.03 -0.03 -0.05 0.02 -0.02 -0.06 0.03 -0.03 -0.04 -0.01 -0.01 -0.06 0.01 -0.02 -0.07 0.02 -0.01 -0.07 0.03 -0.03 -0.06 -0.02 -0.03 -0.06 0.00 -0.04 -0.05 -0.02 -0.03 -0.06 0.01 -0.02 -0.03 -0.01 -0.04 -0.05 0.01 -0.02 -0.03 -0.02 0.01 -0.00 -0.00 0.01 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 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 0.14 0.02 0.10 0.18 -0.00 0.11 0.21 0.00 -0.14 0.23 0.09 0.11 0.12 -0.01 0.08 0.23 0.02 0.09 0.24 0.02 0.29 0.06 -0.09 0.10 0.10 -0.04 0.08 0.21 -0.04 0.05 0.21 -0.02 0.26 0.04 -0.13 0.03 0.16 0.01 0.15 0.28 0.02 0.15 0.15 0.00 -0.16 0.28 0.03 0.08 -0.03 0.19 -0.08 0.05 -0.17 -0.02 0.02 -0.03 -0.04 0.03 -0.06 0.08 -0.03 0.16 -0.04 0.03 -0.10 -0.08 0.02 -0.18 0.08 -0.01 0.15 0.03 -0.00 0.03 0.05 -0.01 0.07 -0.07 0.02 -0.15 0.04 0.00 0.07 -0.00 -0.00 -0.00 -0.01 -0.02 -0.01 0.00 0.01 0.01 -0.02 -0.10 -0.01 0.01 -0.01 0.02 -0.01 0.01 0.02 -0.03 -0.02 0.04 0.02 0.01 0.01 0.02 -0.00 0.02 -0.00 -0.01 -0.00 0.00 -0.03 -0.01 -0.04 -0.00 0.02 0.04 0.01 -0.02 0.07 0.00 -0.03 0.02 0.06 -0.01 0.08 0.02 -0.03 -0.03 0.05 0.01 0.02 -0.03 0.05 0.25 -0.04 0.03 -0.18 -0.07 0.21 0.12 -0.08 0.19 -0.03 0.01 -0.05 -0.18 0.20 -0.02 0.07 -0.16 -0.20 -0.11 0.05 -0.20 -0.03 -0.01 -0.04 0.04 -0.18 -0.16 -0.16 0.15 -0.02 -0.13 0.02 -0.17 0.03 -0.00 0.04 -0.12 0.00 0.19 0.25 -0.02 0.02 0.07 -0.01 0.16 0.01 -0.01 0.03 -0.01 0.01 -0.03 -0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.00 0.03 -0.00 0.01 -0.02 -0.01 0.00 -0.03 0.01 -0.00 0.02 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.02 0.01 0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.02 0.00 -0.00 0.00 -0.01 0.09 -0.08 -0.07 0.24 0.07 -0.10 -0.07 -0.05 0.02 -0.08 0.01 0.03 0.00 0.05 0.01 -0.02 0.16 0.05 0.23 -0.00 -0.12 -0.24 -0.07 0.13 -0.37 -0.03 0.19 -0.11 -0.33 0.06 -0.47 -0.09 0.20 0.14 -0.29 -0.14 0.00 -0.01 0.01 0.04 -0.01 0.00 -0.03 -0.01 0.04 0.02 -0.02 0.03 -0.01 -0.00 -0.01 -0.03 0.03 -0.00 0.01 -0.03 -0.03 -0.02 0.01 -0.04 -0.01 -0.00 -0.00 0.01 -0.03 -0.02 -0.03 0.02 -0.00 -0.02 0.00 -0.02 0.01 -0.00 0.01 -0.01 0.00 0.04 0.04 -0.02 0.01 0.01 -0.01 0.02 -0.08 0.01 -0.18 0.04 -0.06 0.14 0.01 -0.04 0.03 0.03 -0.06 0.07 -0.07 0.01 -0.13 0.00 -0.04 0.03 -0.08 0.04 -0.21 0.09 0.02 0.15 0.05 0.03 0.04 0.08 0.02 0.08 -0.07 0.04 -0.15 0.03 0.03 0.02 0.09 -0.02 0.26 0.02 -0.01 -0.01 0.01 -0.01 -0.01 0.01 0.00 -0.01 0.13 -0.04 0.35 0.01 0.00 0.01 0.03 -0.01 0.07 0.00 -0.00 0.00 0.04 -0.02 0.08 -0.01 -0.00 -0.01 -0.00 0.00 0.01 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 0.02 -0.05 -0.02 0.03 -0.02 -0.17 0.05 -0.01 0.14 0.07 -0.14 -0.12 0.08 -0.10 0.03 -0.01 0.02 0.12 -0.17 -0.02 -0.05 0.17 0.12 0.12 -0.05 0.17 -0.04 -0.01 -0.02 0.04 -0.18 -0.14 -0.15 0.11 -0.01 -0.16 0.03 -0.11 0.02 -0.01 0.02 -0.16 -0.05 0.15 0.24 0.01 -0.03 0.11 -0.05 0.19 0.03 0.15 -0.04 0.10 0.15 0.02 0.08 0.17 0.03 0.07 0.17 0.07 0.05 0.13 -0.06 0.06 0.15 -0.02 -0.10 -0.12 -0.03 -0.05 -0.17 0.04 -0.08 -0.17 0.05 -0.08 -0.16 0.08 -0.06 -0.12 -0.04 -0.07 -0.14 0.00 0.12 -0.06 0.00 -0.07 0.03 0.06 -0.07 0.03 -0.01 -0.13 0.06 0.08 0.12 -0.06 0.01 0.00 0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 0.01 -0.00 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.05 -0.06 -0.04 -0.11 -0.14 0.01 -0.05 -0.13 -0.03 0.22 -0.18 -0.18 -0.07 0.02 0.04 -0.01 -0.13 -0.00 -0.07 -0.06 0.05 -0.21 0.06 0.15 0.08 0.00 -0.04 0.06 0.13 -0.04 0.03 0.18 -0.01 0.28 -0.07 -0.18 -0.05 0.04 0.03 0.01 0.09 0.04 0.09 0.09 -0.01 -0.18 0.14 0.14 -0.03 0.01 0.02 -0.03 -0.00 0.03 -0.04 0.00 0.01 -0.03 0.00 -0.01 0.02 0.01 0.01 0.00 -0.04 0.00 0.02 0.17 -0.01 -0.09 -0.11 0.04 -0.13 0.08 0.08 -0.32 0.18 0.20 0.14 0.04 -0.06 0.07 -0.12 -0.05 0.11 -0.01 -0.02 0.06 -0.09 -0.09 0.10 -0.00 -0.14 0.01 -0.05 -0.07 -0.01 -0.09 -0.16 0.00 -0.00 0.00 0.03 -0.01 0.05 -0.00 0.00 -0.01 0.02 -0.01 0.04 -0.01 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.01 -0.05 -0.06 -0.01 0.02 -0.08 -0.01 0.03 -0.06 -0.02 0.02 -0.04 -0.02 0.01 -0.03 0.05 0.02 -0.03 0.08 0.03 -0.04 0.07 0.03 0.01 0.04 0.00 0.03 0.07 -0.01 0.00 0.26 0.02 -0.01 0.26 0.04 0.29 -0.02 -0.15 -0.02 -0.07 0.00 -0.22 -0.17 0.08 -0.18 -0.17 0.07 0.24 -0.25 -0.12 0.11 0.14 -0.01 -0.03 -0.15 -0.02 0.15 -0.05 -0.08 0.35 -0.15 -0.21 -0.06 0.14 0.06 -0.14 -0.03 0.05 0.04 0.03 -0.02 -0.00 -0.06 -0.01 -0.01 -0.01 0.01 -0.06 0.02 0.06 0.03 0.03 -0.03 -0.01 -0.05 -0.01 -0.05 0.08 0.01 -0.09 -0.02 0.07 -0.04 0.09 0.11 -0.04 -0.05 0.06 -0.07 -0.07 0.10 -0.00 0.00 0.00 -0.01 0.01 -0.02 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.02 0.02 0.07 0.00 0.19 0.16 -0.06 0.19 0.17 -0.04 -0.22 0.22 0.15 -0.05 -0.05 0.01 -0.02 -0.25 -0.05 -0.01 -0.26 -0.04 -0.36 0.04 0.14 0.04 -0.03 -0.02 0.03 -0.00 -0.01 0.04 -0.01 -0.02 0.08 -0.05 -0.05 0.05 -0.01 -0.03 0.03 -0.02 -0.02 0.04 -0.02 -0.02 0.09 -0.03 -0.04 -0.00 -0.01 0.00 0.00 0.01 0.01 -0.01 0.01 -0.00 -0.03 0.01 -0.01 0.00 -0.00 -0.01 0.01 -0.00 0.01 0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.02 0.01 -0.01 -0.04 0.02 -0.01 0.01 -0.00 -0.01 0.01 -0.01 0.01 -0.03 0.01 -0.07 0.00 -0.00 -0.00 0.00 -0.00 -0.04 -0.04 0.02 0.01 0.32 -0.10 0.63 -0.01 0.02 -0.01 -0.22 0.11 -0.41 0.04 0.00 0.06 -0.12 0.10 -0.26 0.05 -0.03 0.09 -0.04 0.00 -0.05 -0.01 -0.01 -0.05 -0.00 -0.00 0.00 0.04 -0.03 -0.01 0.01 0.00 0.03 -0.02 0.02 0.03 0.14 -0.03 0.32 -0.00 -0.00 0.00 -0.02 -0.01 0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.02 -0.01 0.02 -0.01 0.01 -0.00 0.01 0.00 -0.00 0.02 0.00 -0.01 0.03 0.01 0.01 0.00 -0.01 0.00 -0.01 0.00 -0.02 -0.03 -0.00 -0.01 0.01 -0.01 0.04 -0.03 0.02 0.00 -0.01 0.01 0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.02 0.01 -0.02 0.00 -0.00 -0.01 0.01 -0.00 0.02 0.01 0.01 0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.03 0.01 -0.02 0.00 0.00 -0.01 0.01 -0.01 0.02 -0.04 0.02 -0.08 -0.00 0.00 0.02 -0.00 -0.00 -0.02 -0.05 0.01 0.03 0.34 -0.10 0.68 0.01 -0.10 -0.01 0.25 -0.08 0.28 -0.08 -0.05 -0.04 0.05 -0.17 0.16 -0.01 0.07 -0.06 0.06 0.02 0.01 -0.04 0.08 0.07 0.02 -0.01 -0.02 -0.02 0.01 -0.00 0.03 -0.04 -0.05 0.02 -0.02 -0.03 -0.08 -0.18 -0.30 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.02 0.00 -0.00 0.01 0.01 -0.02 0.02 -0.01 0.01 0.00 0.00 0.00 -0.00 0.01 0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.01 -0.02 -0.02 -0.01 0.01 -0.00 0.03 -0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.01 0.01 -0.00 0.01 0.02 -0.01 0.01 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.02 0.01 0.00 0.01 0.00 -0.00 0.01 0.01 -0.01 0.01 0.00 -0.00 0.01 -0.01 0.00 -0.02 0.04 -0.01 0.07 0.00 -0.00 -0.02 0.00 0.00 0.02 0.04 -0.01 -0.03 -0.23 0.07 -0.46 -0.01 -0.15 -0.06 -0.03 0.10 -0.47 -0.05 -0.12 0.09 -0.15 -0.17 -0.22 0.08 0.07 0.08 0.06 0.06 -0.07 -0.11 0.14 0.04 0.04 -0.02 -0.03 0.04 -0.04 -0.01 0.07 -0.08 -0.04 -0.01 0.01 0.03 0.17 -0.45 0.13 -0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.00 -0.01 -0.00 0.01 -0.02 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.02 0.02 -0.01 0.00 -0.01 0.01 -0.00 -0.09 0.04 0.03 0.08 -0.02 -0.03 -0.04 -0.04 0.01 -0.04 -0.04 0.02 0.00 -0.00 0.01 0.03 -0.02 -0.02 0.10 -0.05 -0.04 -0.09 0.05 0.03 -0.02 -0.07 0.00 -0.02 -0.07 -0.00 -0.00 -0.01 -0.01 -0.04 0.00 0.02 0.01 0.01 0.01 -0.04 -0.08 0.01 -0.06 -0.13 0.01 -0.07 -0.14 0.01 -0.01 0.03 -0.04 -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 0.17 -0.03 -0.08 0.16 -0.03 -0.09 0.19 -0.03 -0.10 0.17 -0.03 -0.10 -0.15 0.13 0.09 -0.15 0.16 0.10 -0.17 0.17 0.11 -0.11 0.12 0.08 -0.16 0.13 0.10 -0.17 0.17 0.11 -0.15 0.14 0.10 -0.14 0.13 0.10 0.23 -0.05 -0.11 0.27 -0.03 -0.13 0.26 -0.03 -0.13 0.19 -0.02 -0.10 -0.10 0.04 0.05 0.08 -0.08 -0.04 -0.04 -0.09 -0.01 -0.02 -0.10 -0.02 -0.01 -0.00 0.01 0.01 -0.03 -0.00 -0.07 0.05 0.05 0.10 -0.01 -0.04 0.04 0.08 -0.02 0.06 0.07 -0.03 -0.01 0.02 0.00 0.02 0.02 -0.00 0.00 0.00 -0.01 0.02 -0.03 -0.02 0.01 -0.03 0.01 0.04 -0.05 -0.03 0.03 0.00 0.05 0.00 -0.00 -0.00 -0.01 -0.00 -0.02 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 -0.01 0.00 0.00 0.01 -0.00 0.01 0.20 -0.04 -0.10 0.24 -0.01 -0.12 0.27 -0.01 -0.13 0.14 -0.00 -0.07 -0.18 0.14 0.11 -0.19 0.19 0.13 -0.19 0.19 0.12 -0.14 0.14 0.09 0.14 -0.11 -0.08 0.15 -0.18 -0.10 0.14 -0.17 -0.10 0.07 -0.09 -0.05 -0.18 0.04 0.09 -0.21 0.02 0.09 -0.23 0.03 0.11 -0.16 0.02 0.08 0.01 -0.03 0.02 0.02 -0.04 -0.06 0.02 -0.06 -0.02 0.03 -0.06 0.01 -0.11 0.00 0.00 -0.06 0.06 0.06 -0.04 -0.02 -0.02 -0.02 0.00 0.10 -0.06 -0.02 0.00 -0.06 -0.03 -0.08 0.08 -0.09 0.04 0.07 -0.01 -0.09 -0.07 -0.15 -0.00 0.14 0.28 -0.04 0.21 0.46 -0.02 0.21 0.37 -0.05 -0.12 -0.29 0.04 0.00 0.00 -0.00 0.00 -0.01 0.02 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -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 -0.01 0.01 -0.02 0.11 -0.02 -0.06 0.22 0.01 -0.09 0.15 0.01 -0.05 0.04 0.03 0.02 0.02 -0.03 -0.01 -0.00 -0.02 -0.02 0.04 -0.07 -0.04 -0.01 -0.01 -0.02 -0.09 0.08 0.07 -0.06 0.09 0.01 -0.17 0.21 0.09 -0.03 0.06 -0.03 -0.05 0.01 0.02 -0.09 0.01 0.06 -0.01 -0.01 0.02 -0.04 -0.00 0.04 -0.04 -0.07 -0.01 -0.04 0.05 -0.17 -0.01 -0.05 0.09 -0.04 -0.03 0.30 -0.06 -0.02 -0.08 0.03 0.02 0.09 0.02 0.07 -0.03 -0.10 -0.01 -0.19 0.03 0.04 0.12 0.03 0.06 0.36 -0.01 0.02 -0.10 0.05 -0.03 0.11 0.01 -0.02 0.06 -0.08 0.10 0.20 -0.04 0.11 -0.04 -0.30 0.19 0.25 -0.07 -0.03 -0.08 0.00 -0.00 -0.00 -0.01 0.01 -0.04 0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.00 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.02 -0.02 0.03 0.06 -0.01 -0.06 0.27 -0.06 -0.06 -0.08 -0.00 0.11 0.12 -0.04 0.03 0.04 -0.04 -0.02 0.02 0.03 -0.00 0.03 0.02 -0.01 0.13 -0.07 -0.08 0.02 -0.03 -0.04 -0.09 0.13 0.15 0.22 -0.15 -0.04 0.11 -0.05 0.05 0.04 -0.00 -0.02 -0.04 -0.03 0.02 0.00 -0.04 0.00 0.12 -0.06 -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 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 0.01 -0.00 0.01 0.03 -0.07 -0.03 -0.32 -0.45 0.05 0.26 -0.11 -0.17 0.29 -0.15 -0.16 0.08 -0.06 -0.05 -0.01 0.13 0.02 -0.14 -0.01 0.07 -0.12 0.10 0.10 -0.21 0.08 0.16 -0.05 -0.08 0.02 -0.24 0.11 0.16 -0.08 0.40 0.14 -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 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.01 -0.06 -0.07 0.05 -0.17 0.03 -0.02 0.11 0.08 -0.05 0.33 -0.01 -0.01 -0.03 0.05 -0.03 0.10 0.09 0.01 0.13 0.11 -0.05 0.20 -0.08 0.03 -0.15 -0.28 0.09 -0.38 -0.02 0.03 -0.05 -0.09 -0.00 -0.10 0.01 0.04 0.03 -0.05 -0.00 0.05 -0.11 -0.14 0.05 0.01 0.16 0.04 -0.02 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.03 0.22 -0.06 -0.03 -0.17 0.01 0.16 0.07 -0.03 0.06 0.00 -0.01 -0.01 0.06 -0.03 -0.01 -0.04 0.05 0.05 0.05 -0.03 -0.00 0.05 -0.03 0.01 0.17 -0.17 -0.21 -0.18 0.14 0.02 0.00 -0.03 -0.12 0.05 -0.01 -0.00 0.13 -0.04 -0.13 -0.15 0.02 0.01 0.05 -0.02 -0.09 -0.03 0.07 -0.08 -0.11 0.01 -0.17 0.08 -0.03 0.11 0.27 -0.12 0.28 0.04 0.02 -0.01 0.07 -0.08 0.11 -0.12 -0.02 -0.20 -0.00 0.04 -0.03 0.07 -0.03 0.08 0.22 -0.09 0.19 0.10 -0.03 0.24 -0.04 0.02 -0.07 0.03 0.02 -0.07 0.05 -0.07 -0.06 0.00 -0.19 -0.08 0.09 0.09 -0.06 0.14 0.05 0.09 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.00 0.01 -0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.02 -0.04 -0.08 0.02 0.01 0.18 -0.03 -0.01 -0.23 0.04 0.21 -0.06 0.01 0.14 -0.05 0.05 0.02 0.04 -0.05 0.01 -0.10 0.07 0.10 -0.09 0.06 0.09 -0.02 0.02 0.01 -0.03 0.00 0.03 0.01 -0.03 0.00 -0.06 0.04 0.04 -0.04 0.00 -0.02 -0.17 0.06 0.18 0.28 -0.03 -0.04 -0.05 0.03 0.14 0.02 -0.11 0.12 0.08 0.03 0.08 -0.10 0.02 -0.06 -0.31 0.12 -0.14 -0.04 -0.01 -0.08 -0.01 0.04 -0.02 -0.02 0.09 -0.16 0.04 -0.08 0.07 -0.02 0.04 0.04 -0.16 0.12 0.17 0.10 0.04 0.23 -0.15 -0.01 -0.12 -0.06 0.07 0.02 -0.15 0.04 0.10 -0.18 -0.02 0.22 0.02 0.06 0.05 -0.05 0.12 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.02 0.09 -0.01 -0.03 -0.07 -0.01 -0.01 0.13 -0.04 -0.11 0.12 -0.03 -0.11 0.05 -0.05 -0.01 -0.09 0.13 0.02 0.12 -0.05 -0.12 0.13 -0.07 -0.14 0.09 -0.09 -0.04 0.14 -0.12 -0.13 -0.01 0.02 -0.03 0.11 -0.10 -0.13 0.09 -0.01 -0.07 -0.09 -0.01 0.10 0.25 -0.09 -0.06 0.21 -0.08 -0.02 -0.13 0.01 -0.29 0.05 0.03 0.03 0.02 -0.01 0.11 -0.00 -0.00 0.36 0.10 -0.08 0.35 -0.09 0.08 -0.14 0.00 0.05 -0.04 -0.01 -0.03 -0.01 -0.02 0.02 0.04 -0.08 0.06 0.13 0.02 0.01 0.04 -0.01 -0.01 0.00 -0.13 0.01 -0.03 -0.05 0.04 0.00 -0.02 0.14 0.13 0.04 -0.13 -0.03 -0.08 -0.06 0.12 0.00 -0.00 0.00 0.00 -0.02 0.03 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.02 -0.01 0.08 -0.01 -0.03 0.00 -0.01 -0.02 0.11 -0.03 -0.08 0.10 -0.02 -0.09 0.03 -0.04 -0.08 0.35 -0.27 -0.07 -0.17 0.17 0.23 0.16 -0.09 0.09 0.03 -0.04 -0.02 0.02 0.00 -0.01 0.05 -0.02 -0.02 0.08 -0.06 -0.05 0.03 0.00 -0.02 -0.04 -0.01 0.03 0.04 -0.04 -0.00 0.09 -0.04 -0.03 -0.04 -0.00 -0.02 -0.01 -0.09 0.04 -0.02 -0.09 -0.02 0.06 -0.13 -0.09 0.12 -0.03 0.01 -0.06 0.02 -0.08 -0.01 0.02 0.01 0.06 0.07 0.02 0.05 0.07 -0.03 0.13 0.03 -0.13 0.08 -0.07 -0.02 -0.05 0.02 -0.06 0.33 -0.16 -0.18 -0.21 0.11 0.22 -0.22 0.13 0.30 -0.13 0.06 0.19 0.37 -0.17 -0.14 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 -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 -0.01 0.01 -0.01 -0.07 0.00 0.04 -0.08 0.06 0.02 0.04 0.04 -0.02 -0.20 0.08 0.08 -0.03 0.03 0.01 -0.00 0.04 0.03 -0.06 0.09 0.06 0.04 0.00 0.01 -0.05 0.06 0.04 -0.02 -0.04 -0.00 -0.09 0.02 0.03 -0.19 0.11 0.09 -0.04 0.01 0.02 -0.08 -0.02 0.03 -0.08 -0.01 0.04 0.02 -0.03 -0.00 -0.03 -0.02 -0.00 -0.01 -0.07 -0.00 -0.02 -0.10 -0.02 0.08 -0.15 -0.04 0.10 -0.03 -0.02 0.00 -0.00 -0.04 0.00 -0.04 0.00 -0.05 -0.06 0.01 -0.06 -0.08 0.03 -0.16 -0.04 0.05 -0.09 0.06 0.03 -0.00 0.01 0.04 0.08 0.17 -0.01 0.09 0.19 -0.02 0.16 0.35 -0.02 0.12 0.26 -0.02 0.25 0.57 -0.04 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 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.07 -0.01 0.03 -0.03 0.04 0.01 -0.00 0.03 0.01 -0.17 0.05 0.09 -0.06 0.02 0.03 -0.06 0.09 0.05 -0.07 0.11 0.05 0.04 -0.01 -0.01 0.03 -0.06 -0.03 0.02 0.01 -0.01 0.04 0.01 -0.01 0.15 -0.10 -0.09 0.05 -0.03 -0.03 0.13 0.01 -0.05 0.11 0.02 -0.06 -0.04 0.03 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.02 -0.05 0.03 -0.13 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.01 0.05 -0.01 0.11 -0.33 0.07 -0.72 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.01 -0.02 -0.03 0.00 0.01 -0.03 -0.00 -0.05 -0.00 -0.00 0.00 0.18 -0.07 0.34 -0.05 0.03 -0.11 0.05 -0.05 0.08 0.12 -0.03 0.22 -0.04 -0.01 -0.04 -0.02 0.02 -0.06 -0.01 0.00 -0.00 0.05 -0.03 -0.02 -0.00 0.02 0.04 -0.01 0.02 0.03 -0.08 0.03 -0.19 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.04 0.04 0.06 0.07 -0.04 -0.01 0.02 -0.00 0.04 -0.01 0.00 -0.01 -0.05 0.01 0.05 0.06 -0.02 -0.00 0.02 -0.01 0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.02 -0.05 0.02 -0.13 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.01 0.00 0.02 -0.06 0.01 -0.12 0.38 -0.08 0.79 0.00 -0.01 0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.03 -0.00 -0.00 0.00 0.13 -0.05 0.25 -0.04 0.02 -0.08 0.04 -0.04 0.06 0.09 -0.02 0.15 -0.03 -0.00 -0.03 -0.02 0.01 -0.04 -0.00 0.00 -0.00 0.03 -0.02 -0.01 -0.00 0.02 0.03 -0.01 0.02 0.02 -0.05 0.01 -0.12 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.01 0.04 -0.04 -0.06 -0.08 0.05 0.01 -0.03 0.01 -0.04 0.00 -0.00 0.01 0.04 -0.02 -0.05 -0.07 0.02 0.01 -0.02 0.01 -0.04 0.01 -0.00 0.02 0.01 -0.00 0.02 -0.06 0.03 -0.13 0.37 -0.17 0.87 0.00 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.00 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.03 -0.01 0.06 -0.01 0.00 -0.02 0.01 -0.01 0.01 0.02 -0.01 0.03 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 -0.03 0.00 -0.00 0.01 -0.10 0.03 0.01 0.07 -0.01 -0.07 -0.03 0.01 -0.05 0.01 -0.00 0.01 -0.08 0.05 0.01 0.05 -0.04 -0.06 -0.03 0.01 -0.05 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.02 -0.00 0.01 -0.07 0.02 0.03 -0.00 0.02 0.01 -0.02 0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.02 -0.01 0.05 -0.04 -0.03 0.01 0.01 -0.00 0.01 -0.01 -0.01 0.01 0.03 -0.01 -0.00 -0.01 0.00 0.01 0.02 -0.00 -0.01 -0.01 0.00 0.04 0.06 0.01 -0.03 0.10 0.03 0.21 0.29 0.08 -0.10 0.06 0.04 -0.13 0.17 0.11 -0.00 -0.18 0.01 0.17 0.25 -0.05 -0.13 -0.22 0.02 0.08 -0.01 -0.05 -0.18 -0.05 0.13 0.29 -0.50 -0.28 -0.25 0.02 0.13 0.02 -0.12 -0.06 0.01 -0.01 -0.01 0.03 0.00 -0.01 0.03 0.00 -0.01 0.01 0.00 -0.00 0.01 -0.01 -0.01 0.02 -0.01 -0.01 0.02 -0.02 -0.01 0.03 -0.02 -0.01 -0.01 0.01 0.01 -0.01 0.02 0.01 -0.02 0.02 0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.02 0.01 0.02 -0.01 0.01 0.00 -0.03 0.01 0.02 -0.04 -0.00 0.02 -0.03 -0.01 0.01 -0.12 0.00 0.06 -0.36 0.11 0.18 -0.02 0.09 0.03 -0.09 -0.00 0.08 0.02 -0.03 -0.01 0.01 -0.03 -0.01 0.06 -0.09 -0.04 0.26 -0.19 -0.15 0.06 0.05 -0.03 0.06 -0.06 -0.03 0.11 0.18 -0.02 -0.06 -0.06 -0.04 0.03 0.18 0.14 0.08 -0.19 -0.08 0.20 0.37 -0.03 0.00 -0.01 -0.00 -0.02 -0.03 -0.01 0.01 -0.01 -0.00 0.02 -0.02 -0.01 0.00 0.02 0.00 -0.02 -0.03 0.01 0.02 0.03 -0.00 -0.01 0.00 0.01 0.02 0.01 -0.02 -0.03 0.06 0.03 0.03 -0.00 -0.01 -0.00 0.01 0.00 0.09 -0.03 -0.05 0.17 -0.00 -0.07 0.13 0.00 -0.05 0.06 -0.01 -0.01 0.07 -0.09 -0.05 0.09 -0.05 -0.04 0.08 -0.05 -0.06 0.17 -0.12 -0.10 -0.06 0.04 0.04 -0.08 0.10 0.05 -0.07 0.10 0.05 -0.02 0.02 0.01 -0.09 -0.00 0.05 -0.05 0.03 0.04 -0.07 0.04 0.03 -0.18 0.06 0.09 0.00 0.01 0.00 -0.00 0.01 -0.01 0.00 0.01 0.01 -0.02 0.02 0.01 -0.01 0.01 -0.01 0.01 -0.02 0.08 -0.01 0.01 0.01 -0.01 0.01 -0.00 -0.03 0.02 0.02 -0.13 0.07 0.06 -0.04 -0.02 0.00 0.01 0.03 0.10 0.06 -0.07 -0.04 -0.11 0.05 -0.16 -0.19 0.09 0.59 0.54 -0.24 -0.32 0.06 -0.10 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.02 -0.00 0.00 -0.00 -0.01 0.01 -0.01 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 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.01 0.01 -0.02 0.01 0.01 -0.02 0.06 -0.02 -0.01 -0.04 0.00 0.03 0.04 -0.01 0.00 0.01 -0.00 -0.00 0.01 -0.02 -0.01 0.02 -0.03 -0.01 -0.01 0.00 -0.00 0.02 -0.02 -0.03 0.00 -0.00 0.01 0.08 -0.07 -0.03 0.04 -0.03 0.00 0.04 -0.01 -0.02 0.06 -0.01 -0.03 0.05 -0.01 -0.02 0.05 -0.01 -0.03 -0.01 0.05 0.02 -0.04 -0.03 0.01 -0.07 0.02 0.04 -0.26 0.11 0.13 -0.04 0.05 0.03 -0.07 0.02 0.02 -0.04 -0.02 0.02 -0.00 0.05 0.01 -0.07 0.05 0.04 -0.26 0.15 0.15 -0.06 -0.00 0.03 -0.06 0.04 0.02 0.13 -0.07 -0.07 0.13 -0.06 -0.02 0.14 -0.10 -0.31 -0.17 0.10 0.07 0.15 -0.08 -0.05 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.01 0.01 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.04 -0.06 -0.03 0.19 0.07 -0.10 0.23 0.06 -0.07 -0.15 0.07 0.08 0.07 -0.01 -0.04 0.09 -0.16 -0.08 0.08 -0.15 -0.05 -0.07 0.03 0.03 0.07 0.01 -0.04 0.11 -0.21 -0.06 0.08 -0.20 -0.09 -0.14 0.07 0.08 0.06 -0.05 -0.04 0.18 0.03 -0.06 0.18 0.03 -0.09 -0.07 0.04 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 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.07 0.04 -0.14 0.26 -0.11 0.52 0.02 -0.01 0.04 0.07 -0.06 0.10 -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 0.00 0.00 0.00 -0.00 0.32 -0.20 0.68 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.01 0.02 0.02 -0.00 -0.01 0.00 -0.00 0.02 0.01 0.01 -0.00 -0.01 -0.03 -0.01 -0.03 0.01 0.02 -0.12 0.06 0.05 0.02 0.00 -0.01 -0.00 0.03 -0.03 0.00 0.01 -0.00 -0.01 -0.03 0.01 0.03 -0.02 -0.02 0.12 -0.06 -0.05 -0.01 0.02 0.01 0.03 0.02 0.03 -0.01 -0.03 0.00 -0.02 -0.03 0.00 -0.19 -0.43 0.03 0.29 0.63 -0.04 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.01 -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 0.01 -0.00 -0.04 0.00 0.06 0.08 -0.05 0.16 0.04 -0.05 -0.19 0.08 0.08 0.01 0.02 -0.00 0.03 -0.06 -0.03 0.02 -0.06 -0.01 -0.07 0.04 0.04 -0.03 -0.03 0.00 -0.07 0.17 0.05 0.02 0.11 0.04 0.19 -0.11 -0.09 0.01 0.02 0.00 -0.04 -0.02 0.00 -0.08 -0.01 0.03 0.07 -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.00 -0.01 0.03 0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.03 0.01 -0.01 0.01 -0.01 0.01 -0.08 0.07 0.07 0.26 0.54 -0.18 0.04 0.02 -0.05 0.25 -0.46 0.04 0.08 -0.02 -0.06 0.00 -0.06 -0.02 -0.01 -0.02 0.01 -0.06 0.06 0.05 -0.06 0.06 0.05 -0.07 0.07 0.05 -0.06 0.06 0.04 0.08 -0.47 -0.07 0.00 0.01 0.00 -0.02 -0.01 0.01 -0.02 -0.01 0.00 0.03 -0.01 -0.01 0.00 0.00 -0.00 0.01 -0.02 -0.01 0.00 -0.02 -0.00 -0.02 0.01 0.01 -0.01 -0.01 0.00 -0.01 0.03 0.00 -0.01 0.03 0.01 0.04 -0.02 -0.03 -0.00 -0.02 -0.00 0.05 0.02 -0.01 0.05 0.02 -0.03 -0.07 0.03 0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.03 0.00 -0.01 0.04 0.01 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 -0.01 -0.01 0.01 0.01 -0.03 -0.12 0.01 0.02 -0.17 -0.03 0.01 -0.01 -0.00 -0.03 0.00 0.02 -0.00 0.01 0.00 0.01 0.01 -0.02 0.00 0.00 0.02 0.00 -0.00 -0.01 0.00 0.03 0.00 -0.01 0.01 0.01 0.04 0.08 -0.02 0.01 0.00 -0.01 0.03 -0.07 -0.01 0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.01 0.01 0.01 0.01 -0.08 -0.01 -0.01 -0.04 -0.01 0.10 0.05 -0.05 0.10 0.05 -0.01 -0.14 0.05 0.08 -0.01 -0.01 0.00 -0.02 0.06 0.03 -0.02 0.06 0.01 0.08 -0.04 -0.04 0.05 0.06 -0.02 0.08 -0.24 -0.02 0.04 -0.24 -0.09 -0.28 0.16 0.17 0.02 0.11 0.01 -0.32 -0.14 0.06 -0.30 -0.14 0.17 0.45 -0.20 -0.23 0.00 -0.02 -0.01 -0.01 0.00 0.01 0.07 0.12 -0.01 0.13 0.10 -0.03 0.02 -0.01 -0.01 -0.01 0.02 0.02 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 0.04 -0.00 -0.03 0.06 0.02 0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.02 -0.01 0.01 -0.01 -0.02 -0.01 0.01 0.04 0.02 -0.02 -0.06 -0.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 0.01 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 -0.00 0.00 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 -0.02 -0.09 -0.01 0.23 0.13 -0.13 0.25 0.11 -0.03 -0.33 0.13 0.19 -0.08 -0.08 0.02 -0.09 0.33 0.16 -0.09 0.33 0.04 0.41 -0.23 -0.21 -0.01 -0.01 0.00 -0.02 0.05 0.01 -0.01 0.04 0.02 0.05 -0.03 -0.03 -0.01 -0.03 -0.00 0.10 0.04 -0.02 0.09 0.04 -0.05 -0.14 0.06 0.07 -0.02 -0.01 0.01 -0.00 0.00 -0.01 0.01 -0.04 -0.01 0.16 -0.11 -0.11 -0.01 0.04 0.01 -0.03 0.02 -0.01 0.01 -0.02 -0.01 0.00 0.00 0.01 -0.05 -0.03 0.02 -0.19 0.04 0.11 0.04 0.02 -0.02 0.03 -0.01 0.01 0.01 0.03 -0.00 -0.01 -0.02 0.00 -0.14 -0.32 0.03 0.18 0.40 -0.03 -0.03 -0.06 0.01 0.00 -0.00 0.00 -0.03 -0.00 -0.04 -0.01 0.00 -0.01 0.03 -0.01 0.07 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -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 0.03 0.06 0.02 -0.19 -0.06 0.09 -0.10 -0.08 -0.03 0.21 -0.07 -0.16 -0.02 -0.05 -0.00 -0.01 0.13 0.06 -0.03 0.14 0.01 0.23 -0.13 -0.12 0.03 0.07 -0.03 0.02 -0.16 0.04 0.08 -0.22 -0.09 -0.23 0.16 0.18 -0.03 -0.04 0.01 0.09 0.05 -0.01 0.07 0.05 -0.05 -0.20 0.08 0.10 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.02 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.01 0.03 0.00 -0.00 -0.04 -0.00 0.01 0.00 0.00 0.04 -0.02 0.02 -0.24 -0.02 -0.36 -0.05 0.02 -0.08 0.31 -0.12 0.74 -0.02 0.01 0.02 -0.00 0.02 0.01 0.00 0.00 -0.00 0.02 -0.02 -0.01 0.01 -0.01 -0.01 0.02 -0.02 -0.02 0.02 -0.02 -0.02 0.13 0.04 0.33 -0.00 -0.01 -0.00 0.03 0.01 -0.01 0.02 0.01 0.00 -0.03 0.01 0.02 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.02 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.01 -0.03 0.01 0.02 0.02 -0.01 -0.00 0.02 -0.01 0.00 -0.03 0.01 0.01 -0.02 0.01 0.00 0.02 -0.03 -0.01 0.24 -0.13 -0.13 -0.04 0.05 0.03 -0.06 0.02 0.03 -0.03 0.01 0.01 -0.02 0.01 0.00 0.03 0.01 -0.01 0.23 -0.09 -0.12 -0.07 -0.00 0.03 -0.05 0.04 0.03 0.08 -0.04 -0.04 0.07 -0.03 -0.02 0.08 -0.05 -0.17 -0.04 0.02 0.01 0.09 -0.05 -0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 0.05 0.06 0.00 -0.15 -0.08 0.08 -0.12 -0.09 -0.02 0.29 -0.10 -0.18 -0.02 -0.08 -0.01 -0.01 0.15 0.07 -0.02 0.15 -0.00 0.29 -0.17 -0.15 -0.02 -0.08 0.01 -0.02 0.15 -0.03 -0.03 0.18 0.07 0.27 -0.17 -0.18 0.05 0.05 -0.01 -0.10 -0.07 -0.01 -0.09 -0.07 0.06 0.28 -0.11 -0.14 0.00 0.00 -0.00 0.01 -0.00 0.03 0.00 0.00 -0.01 0.02 -0.01 0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.06 -0.01 0.12 -0.01 0.02 -0.03 0.06 -0.00 0.06 -0.00 -0.01 0.01 -0.02 -0.01 -0.02 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.04 0.05 -0.04 -0.05 -0.04 0.02 0.03 0.06 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.01 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 0.01 -0.01 0.01 -0.03 0.14 -0.06 -0.03 -0.11 0.03 0.11 0.05 -0.02 0.07 0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.07 0.01 -0.13 -0.37 0.27 0.42 0.52 -0.27 -0.11 0.17 -0.04 0.28 0.01 0.00 0.02 0.04 -0.03 -0.05 -0.08 0.02 0.02 0.02 -0.01 -0.05 -0.01 0.00 -0.00 0.06 -0.03 0.12 -0.02 -0.01 -0.03 0.04 -0.04 0.06 0.01 0.02 0.01 -0.01 0.02 -0.02 0.00 -0.00 -0.00 -0.02 0.00 -0.03 -0.00 -0.01 0.01 -0.01 -0.01 -0.02 0.00 0.01 -0.00 0.00 0.01 0.01 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.03 -0.08 -0.02 0.02 0.09 0.01 -0.04 -0.10 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 -0.06 0.04 -0.13 0.54 -0.23 -0.11 -0.43 0.15 0.43 0.15 -0.07 0.29 0.00 -0.01 0.01 -0.04 0.04 0.01 0.03 -0.00 -0.03 0.03 -0.02 -0.04 0.02 -0.01 0.03 0.09 -0.06 -0.10 -0.12 0.06 0.02 -0.03 0.00 -0.07 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.03 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 0.05 -0.01 0.12 0.01 -0.00 0.01 -0.01 -0.00 -0.03 0.06 -0.03 0.06 -0.01 -0.00 -0.02 -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 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 -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 -0.02 0.01 -0.04 -0.00 0.00 -0.00 0.02 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.04 0.03 0.04 0.06 -0.03 -0.01 0.03 -0.01 0.03 -0.07 0.03 -0.13 -0.43 0.19 0.42 0.59 -0.26 -0.08 0.16 -0.06 0.29 0.05 -0.02 0.12 0.00 0.00 0.01 -0.01 0.01 -0.03 0.06 -0.01 0.07 -0.01 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.00 0.01 0.01 -0.00 0.03 0.08 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 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 -0.01 0.04 -0.02 -0.01 -0.03 0.01 0.03 0.02 -0.01 0.02 -0.07 0.03 -0.14 0.57 -0.29 -0.08 -0.42 0.24 0.41 0.15 -0.08 0.30 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.02 -0.02 0.01 0.03 0.05 0.07 -0.01 0.13 0.03 -0.05 -0.05 -0.07 0.01 -0.06 -0.01 0.01 -0.02 0.01 0.01 0.03 -0.01 -0.03 0.02 0.08 0.00 -0.05 0.13 0.03 -0.02 -0.09 0.00 0.03 -0.06 -0.01 -0.02 -0.04 0.00 0.00 -0.00 -0.00 -0.06 -0.14 0.01 0.07 0.15 -0.01 0.35 0.80 -0.06 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.02 0.02 -0.02 0.06 -0.05 -0.00 -0.04 -0.00 0.02 0.12 -0.04 -0.03 0.01 0.01 0.02 -0.08 0.01 -0.00 0.04 -0.05 -0.04 -0.11 0.05 0.01 -0.00 0.03 0.02 0.02 -0.03 -0.02 -0.08 0.02 0.01 -0.12 0.07 0.04 0.01 0.01 -0.01 -0.02 -0.02 -0.00 -0.01 -0.03 0.01 0.10 -0.05 -0.05 0.03 0.00 -0.02 -0.04 -0.03 0.01 0.00 0.07 0.01 -0.07 0.11 0.06 0.06 -0.02 -0.03 -0.03 -0.07 -0.01 -0.02 0.02 0.02 -0.00 -0.04 -0.00 0.04 0.03 -0.02 0.12 -0.00 -0.06 -0.05 0.05 0.03 -0.02 -0.05 0.01 -0.01 -0.02 -0.00 -0.04 -0.08 0.01 0.29 0.65 -0.04 0.20 0.46 -0.03 -0.09 -0.21 0.01 -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 0.03 0.03 -0.01 -0.03 -0.07 0.04 -0.06 -0.05 -0.02 0.17 -0.06 -0.07 -0.01 0.01 0.01 -0.00 0.03 0.01 -0.02 0.03 0.01 -0.02 0.01 0.02 0.01 0.04 0.00 0.01 -0.07 0.02 -0.02 -0.07 -0.03 -0.13 0.08 0.07 0.02 -0.00 -0.01 0.02 0.01 0.00 0.04 0.00 -0.01 0.03 -0.00 -0.01 0.06 -0.03 -0.03 -0.11 -0.01 0.05 0.07 0.21 0.01 0.13 0.21 -0.01 -0.04 -0.16 -0.01 -0.12 -0.16 0.00 0.06 -0.04 -0.03 -0.06 0.11 0.05 -0.13 -0.20 0.04 -0.15 -0.21 0.05 0.11 0.13 -0.04 0.06 0.22 -0.03 0.06 -0.05 -0.04 -0.03 0.01 0.06 -0.05 -0.01 0.07 -0.17 0.00 0.09 0.13 0.06 -0.04 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.08 0.04 -0.03 0.06 -0.09 0.02 0.00 -0.06 -0.07 0.31 -0.10 -0.16 -0.01 0.05 0.02 -0.05 0.00 -0.01 -0.03 -0.00 0.05 -0.17 0.11 0.09 0.02 -0.10 -0.03 0.04 0.04 -0.08 0.12 0.02 0.01 0.31 -0.20 -0.17 -0.05 -0.02 0.02 -0.03 0.03 0.05 -0.05 0.03 -0.00 -0.19 0.07 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 -0.04 0.02 0.01 -0.01 -0.01 0.00 0.05 -0.03 -0.03 -0.16 -0.24 0.00 -0.15 0.02 0.07 -0.23 0.45 0.30 0.06 -0.03 -0.03 0.20 -0.21 -0.16 -0.01 0.01 0.00 -0.15 0.25 0.13 -0.16 0.08 0.20 0.01 -0.09 0.00 -0.28 0.21 0.17 -0.01 0.27 0.11 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.04 -0.00 -0.02 -0.03 0.00 0.02 0.04 0.07 -0.00 -0.21 0.21 0.13 -0.05 -0.07 0.01 -0.06 -0.14 -0.04 -0.01 0.04 -0.00 0.01 -0.01 -0.01 0.02 0.06 -0.00 0.30 -0.07 -0.15 -0.00 -0.08 -0.01 -0.09 -0.11 0.06 0.09 0.19 -0.02 0.09 0.18 -0.01 -0.21 -0.47 0.04 -0.03 -0.02 0.00 -0.22 -0.49 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 0.02 0.01 -0.01 0.04 -0.03 0.00 0.01 -0.02 -0.03 0.09 -0.03 -0.06 -0.01 0.01 0.01 -0.06 0.05 0.01 -0.04 0.04 0.04 -0.05 0.03 0.02 0.00 0.01 0.00 -0.01 0.00 0.02 -0.03 0.01 0.00 -0.05 0.03 0.04 0.01 -0.01 0.00 0.08 -0.00 -0.05 0.05 0.02 -0.02 -0.00 -0.00 -0.02 -0.04 -0.01 0.01 -0.01 0.04 0.01 -0.02 0.00 0.01 0.35 -0.17 -0.19 -0.01 -0.03 -0.00 0.02 0.04 0.00 -0.05 0.05 0.03 -0.07 0.01 0.04 -0.07 0.03 0.03 0.64 -0.32 -0.34 0.03 0.03 -0.01 0.01 -0.03 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.08 -0.04 0.01 0.00 0.02 0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 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 -0.00 -0.00 -0.00 0.01 -0.03 -0.01 0.06 0.04 -0.04 0.07 0.03 -0.01 -0.05 0.01 0.02 0.02 0.01 -0.01 0.02 -0.08 -0.04 0.03 -0.08 -0.01 -0.05 0.03 0.02 0.05 0.01 -0.02 0.06 -0.14 -0.03 0.04 -0.14 -0.06 -0.02 0.02 0.01 0.02 -0.05 -0.01 0.15 0.04 -0.04 0.12 0.05 -0.07 -0.05 0.01 0.01 -0.07 0.02 0.03 -0.07 0.04 0.04 -0.08 0.05 0.04 0.66 -0.30 -0.34 0.01 -0.04 -0.01 0.02 -0.02 -0.02 0.04 -0.00 -0.02 0.04 -0.03 -0.02 0.06 -0.02 -0.03 -0.29 0.16 0.15 -0.02 0.01 0.01 -0.04 -0.01 0.02 0.02 0.04 -0.00 0.01 0.02 -0.01 0.01 0.03 0.03 -0.00 0.03 -0.00 -0.08 -0.18 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 0.03 -0.04 -0.02 0.14 0.04 -0.07 0.15 0.03 -0.05 0.01 -0.02 -0.01 0.05 0.01 -0.02 0.05 -0.13 -0.07 0.06 -0.13 -0.04 -0.02 0.02 -0.00 -0.03 0.01 0.01 -0.04 0.07 0.03 -0.04 0.07 0.03 -0.04 0.02 0.02 -0.02 0.02 0.01 -0.07 -0.01 0.03 -0.06 -0.01 0.03 -0.02 0.02 0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.01 0.02 0.01 0.01 -0.00 0.00 -0.03 0.01 -0.06 -0.00 0.00 -0.00 0.07 -0.02 0.12 -0.42 0.52 0.18 -0.12 0.03 -0.31 0.17 -0.42 -0.42 -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 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.08 0.01 -0.04 -0.05 0.01 -0.07 0.01 0.03 -0.03 -0.01 0.01 0.07 0.05 -0.02 0.03 -0.07 -0.03 -0.05 -0.05 0.02 0.01 0.06 0.00 -0.05 0.04 0.03 -0.02 0.03 0.01 0.01 -0.09 -0.01 0.06 0.01 -0.04 -0.05 0.03 0.03 0.03 -0.01 -0.04 -0.05 0.05 0.66 -0.56 0.26 0.14 -0.07 0.03 0.02 -0.01 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.03 0.03 0.01 -0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.01 -0.01 0.02 0.02 0.01 0.00 0.00 0.00 -0.03 -0.00 0.01 0.01 -0.00 0.02 -0.03 0.01 0.00 -0.03 -0.03 0.08 -0.04 -0.05 0.00 -0.03 -0.01 0.05 0.01 0.02 0.03 0.02 -0.05 0.12 -0.06 -0.06 -0.00 -0.01 -0.00 0.01 0.01 -0.03 0.03 0.01 0.01 0.08 -0.04 -0.04 0.02 0.02 -0.01 0.00 -0.03 -0.04 0.02 -0.04 0.02 0.12 -0.05 -0.06 0.00 -0.02 -0.00 0.01 0.01 -0.00 0.02 -0.01 -0.01 -0.02 0.01 0.01 -0.01 -0.01 0.00 -0.01 0.02 0.01 0.02 0.01 -0.01 -0.00 -0.01 -0.00 0.02 -0.01 -0.01 -0.01 0.01 0.01 0.00 0.02 0.00 -0.02 -0.00 0.01 0.01 -0.01 -0.01 0.02 -0.01 -0.02 0.01 0.01 0.12 -0.11 0.06 0.02 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.03 -0.00 -0.02 -0.00 0.01 -0.05 0.12 0.07 0.04 -0.02 -0.02 0.08 0.07 -0.03 -0.02 -0.03 0.01 -0.12 -0.09 0.05 0.30 0.11 -0.30 -0.37 0.49 0.31 0.47 -0.04 -0.13 -0.01 0.03 0.01 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 0.00 0.01 -0.01 0.00 0.01 -0.00 0.01 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.01 -0.03 0.02 0.02 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 0.00 -0.01 0.01 0.01 -0.01 -0.00 0.00 -0.01 0.01 0.01 -0.01 0.01 -0.00 -0.03 0.01 0.02 0.01 -0.08 -0.02 0.04 0.04 -0.01 0.07 -0.04 -0.04 -0.04 0.02 0.02 -0.05 -0.04 0.01 -0.04 0.09 0.04 0.06 0.04 -0.02 -0.01 -0.05 -0.00 0.06 -0.03 -0.03 -0.04 0.02 0.02 0.00 0.06 0.01 -0.08 -0.02 0.04 0.04 -0.02 -0.02 0.08 -0.05 -0.10 0.02 0.06 0.60 -0.55 0.27 0.10 0.05 -0.01 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 0.02 -0.03 -0.01 -0.01 0.01 0.01 -0.03 -0.02 0.01 0.01 0.01 -0.00 0.04 0.03 -0.02 -0.09 -0.03 0.09 0.11 -0.15 -0.09 -0.14 0.01 0.04 0.00 -0.03 -0.01 -0.02 0.00 0.01 -0.03 0.03 0.00 -0.02 0.02 0.03 -0.04 0.01 0.02 -0.01 0.03 0.01 -0.06 0.01 -0.01 -0.04 -0.00 0.05 -0.12 0.06 0.06 -0.01 0.01 0.01 -0.02 0.00 0.02 -0.03 0.00 0.00 -0.02 0.01 0.01 -0.02 -0.01 0.01 -0.02 0.03 0.05 -0.04 0.04 -0.01 -0.12 0.06 0.06 -0.03 -0.16 -0.02 0.06 0.14 0.00 0.07 -0.05 -0.04 0.13 -0.08 -0.07 -0.03 -0.07 -0.00 -0.08 0.08 0.05 -0.10 -0.13 0.03 0.06 0.14 -0.01 -0.08 0.03 0.04 -0.15 0.06 0.08 -0.02 -0.08 0.01 0.12 -0.01 -0.06 0.09 0.22 -0.01 -0.07 -0.14 0.01 0.09 0.21 -0.02 0.13 0.28 -0.02 -0.17 -0.36 0.03 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 -0.08 -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 0.05 0.01 -0.02 -0.03 -0.00 0.01 0.10 -0.05 0.06 0.08 0.06 -0.08 0.02 0.06 0.02 0.04 -0.00 -0.16 -0.01 -0.06 -0.09 -0.03 0.15 -0.24 0.13 0.11 -0.01 -0.03 0.00 0.02 0.09 -0.07 0.08 0.07 0.04 0.08 -0.06 -0.07 0.02 0.05 -0.00 0.02 -0.10 -0.14 0.09 -0.12 0.06 0.25 -0.11 -0.12 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 0.01 0.02 -0.04 0.05 0.01 -0.01 -0.00 -0.00 -0.01 -0.09 -0.06 0.03 -0.01 0.02 0.00 0.09 0.01 -0.04 -0.07 0.82 0.29 0.04 -0.01 -0.02 -0.02 -0.00 0.01 0.00 0.02 0.00 0.01 -0.01 -0.01 -0.03 -0.00 0.02 0.01 0.01 0.00 -0.04 0.01 0.03 -0.01 -0.44 -0.09 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 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 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 0.04 -0.05 -0.03 -0.07 -0.04 0.02 -0.01 0.01 0.01 0.01 -0.01 -0.00 0.14 -0.02 -0.07 -0.11 0.09 0.08 -0.09 -0.00 0.05 0.03 -0.11 -0.02 0.01 -0.02 -0.01 -0.02 -0.01 0.00 -0.16 0.16 0.10 0.18 -0.05 -0.12 -0.00 -0.05 -0.01 0.02 0.07 0.00 -0.21 -0.46 0.08 -0.25 -0.46 0.04 -0.09 -0.25 0.01 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.09 0.04 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.04 -0.01 0.03 0.02 -0.01 0.06 -0.05 0.02 0.00 -0.04 -0.07 0.12 -0.04 -0.08 -0.01 0.03 0.01 -0.03 0.02 -0.00 -0.03 0.01 0.04 -0.08 0.05 0.06 0.00 0.04 0.00 -0.05 0.00 0.11 -0.11 0.03 -0.02 -0.17 0.11 0.12 0.04 0.01 -0.02 0.03 -0.01 -0.05 0.05 -0.02 0.00 0.13 -0.05 -0.06 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.02 -0.00 -0.01 -0.02 0.02 0.01 0.01 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 -0.01 -0.01 -0.03 0.00 0.02 -0.01 -0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.04 0.04 -0.02 -0.01 -0.01 0.01 -0.01 0.05 0.01 -0.02 0.19 0.18 -0.05 -0.15 -0.03 0.07 -0.20 0.14 0.16 0.34 -0.05 -0.21 -0.15 0.01 0.09 -0.04 0.02 0.03 0.06 -0.06 -0.06 -0.24 0.04 0.11 -0.07 0.24 0.12 -0.23 0.06 0.20 -0.05 0.54 0.19 0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.01 0.02 -0.01 -0.01 0.01 -0.00 -0.00 -0.06 0.02 -0.01 -0.02 0.01 0.04 -0.03 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.01 -0.01 0.00 0.02 -0.01 -0.02 -0.01 -0.00 0.00 0.02 0.02 -0.01 -0.00 0.01 -0.00 0.02 -0.01 0.01 0.07 -0.03 -0.04 -0.10 -0.01 0.04 -0.06 -0.06 0.01 -0.05 -0.09 0.01 0.32 -0.02 -0.15 -0.20 0.15 0.14 0.06 -0.02 -0.03 -0.04 0.05 0.02 0.01 0.06 0.00 0.04 0.06 -0.01 0.15 -0.16 -0.09 -0.16 0.04 0.10 -0.12 0.02 0.06 0.04 -0.02 -0.05 0.01 -0.10 -0.25 0.14 -0.15 -0.04 -0.14 0.03 0.04 -0.00 0.00 0.00 -0.03 -0.03 0.00 0.02 0.01 -0.01 0.04 -0.07 -0.03 -0.05 0.01 0.02 0.02 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 0.01 0.01 0.04 -0.00 -0.02 0.01 -0.03 -0.01 0.04 -0.00 -0.02 0.01 -0.07 -0.03 -0.00 0.03 0.01 0.23 -0.03 -0.01 0.14 -0.01 -0.18 0.28 -0.15 -0.18 -0.00 0.02 0.00 -0.06 0.10 0.02 -0.04 0.08 0.07 -0.16 0.07 0.09 -0.01 -0.00 0.01 0.06 -0.10 -0.11 0.11 -0.12 -0.01 0.20 -0.08 -0.13 -0.01 -0.01 0.00 -0.07 -0.01 0.06 -0.09 -0.00 0.01 -0.13 0.07 0.07 0.02 -0.00 -0.01 -0.02 0.00 0.01 -0.01 -0.02 0.00 -0.01 -0.03 0.00 -0.02 0.03 0.01 0.04 -0.00 -0.02 -0.01 0.02 0.01 0.02 -0.01 -0.01 -0.01 -0.02 0.00 0.00 -0.03 -0.00 0.02 0.00 -0.01 -0.01 0.03 0.01 -0.01 -0.02 0.00 -0.00 -0.00 0.00 0.01 0.03 0.00 0.01 0.02 0.00 0.02 0.04 -0.00 0.00 0.00 -0.00 -0.04 -0.04 0.01 -0.00 0.01 0.00 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.01 -0.05 -0.02 -0.05 0.01 0.03 0.28 -0.02 -0.01 0.19 0.02 -0.21 0.18 -0.14 -0.11 0.05 -0.05 -0.03 -0.23 0.24 0.00 -0.14 0.21 0.25 -0.27 0.06 0.12 0.05 -0.04 -0.03 -0.11 0.19 0.22 -0.22 0.22 0.00 -0.24 0.06 0.14 -0.04 0.00 0.02 0.16 0.02 -0.14 0.22 0.02 -0.03 0.14 -0.12 -0.10 0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.02 0.00 0.01 0.04 -0.03 -0.02 -0.02 0.03 0.01 0.03 -0.02 -0.02 0.01 -0.02 -0.01 -0.02 -0.00 0.01 0.01 0.02 -0.00 0.01 0.03 -0.00 -0.03 0.01 0.01 0.02 -0.02 -0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.01 0.01 -0.01 -0.02 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.02 -0.00 0.00 -0.01 -0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 0.02 0.00 0.01 -0.01 -0.01 -0.05 0.00 -0.00 -0.03 -0.01 0.04 -0.04 0.03 0.02 0.08 -0.06 -0.05 -0.32 0.29 -0.01 -0.19 0.25 0.35 -0.34 0.08 0.15 -0.04 0.04 0.02 0.09 -0.17 -0.17 0.17 -0.19 -0.01 0.20 -0.04 -0.11 0.06 -0.01 -0.03 -0.19 -0.02 0.19 -0.28 -0.02 0.03 -0.17 0.15 0.13 -0.00 -0.00 -0.00 0.00 0.02 0.00 0.02 -0.02 -0.02 -0.06 0.01 0.03 -0.02 -0.00 0.01 0.02 0.00 -0.01 0.01 -0.01 -0.01 0.00 0.02 0.00 -0.02 0.01 0.01 0.04 -0.02 -0.02 -0.03 -0.01 0.01 0.02 -0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.01 0.01 0.00 0.02 0.01 0.01 0.03 0.00 0.00 -0.02 -0.00 -0.00 -0.01 0.00 0.09 0.09 -0.02 0.00 -0.02 -0.01 -0.01 0.04 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.03 0.09 0.03 -0.09 0.01 0.04 0.40 -0.02 -0.01 0.27 0.04 -0.29 0.25 -0.20 -0.16 -0.03 0.02 0.02 0.11 -0.09 0.01 0.06 -0.08 -0.12 0.12 -0.03 -0.05 0.02 -0.02 -0.01 -0.02 0.06 0.06 -0.06 0.07 -0.00 -0.08 0.02 0.04 0.08 -0.02 -0.04 -0.25 -0.01 0.27 -0.37 0.01 0.02 -0.23 0.20 0.16 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.03 0.01 0.01 -0.03 0.01 0.01 0.03 0.00 -0.01 0.00 0.01 0.00 -0.01 -0.01 0.00 0.03 -0.01 -0.02 -0.06 0.03 0.03 -0.01 0.02 0.01 0.01 -0.02 -0.01 0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.03 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.03 -0.01 -0.07 0.01 0.03 0.32 -0.05 0.00 0.20 0.01 -0.25 0.18 -0.14 -0.12 -0.01 0.01 0.01 0.04 -0.03 0.01 0.02 -0.03 -0.05 0.05 -0.01 -0.02 -0.07 0.06 0.05 0.15 -0.25 -0.31 0.32 -0.29 0.01 0.31 -0.07 -0.18 -0.06 0.01 0.03 0.17 0.01 -0.19 0.25 -0.00 -0.01 0.16 -0.14 -0.11 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.03 0.01 0.48 0.52 -0.09 0.03 -0.11 -0.04 -0.04 0.20 0.07 -0.05 0.00 0.03 0.01 -0.00 -0.01 0.01 0.03 -0.00 -0.01 0.02 0.01 0.11 -0.06 -0.03 0.06 -0.16 -0.07 0.08 -0.04 -0.11 -0.14 0.50 0.20 0.01 -0.00 -0.00 -0.03 0.01 -0.00 -0.02 0.00 0.02 -0.02 0.01 0.01 0.00 -0.01 -0.00 -0.00 0.04 0.01 -0.01 0.03 0.01 -0.03 0.00 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.02 0.00 0.01 0.06 0.01 -0.05 0.10 0.04 -0.02 0.06 -0.06 -0.07 0.04 0.15 0.01 0.04 0.04 -0.01 -0.04 -0.05 0.01 -0.05 -0.06 0.01 0.00 -0.11 -0.03 -0.03 0.03 0.02 0.12 0.20 -0.03 0.00 0.07 0.01 -0.02 -0.10 -0.00 -0.02 -0.11 -0.01 -0.13 -0.12 0.05 0.07 -0.01 -0.05 0.02 0.03 -0.00 -0.02 -0.04 0.01 0.02 0.04 -0.00 0.00 0.02 0.00 -0.04 -0.09 0.00 0.00 0.00 -0.00 -0.04 -0.04 0.01 -0.00 0.01 0.00 0.00 -0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 0.02 -0.02 -0.02 0.01 -0.03 -0.02 0.01 0.03 0.01 -0.04 -0.02 -0.01 -0.01 0.00 -0.07 0.12 -0.04 0.02 0.09 0.11 0.03 -0.03 -0.01 0.00 -0.06 -0.02 0.17 0.23 0.13 0.08 0.20 -0.14 -0.12 -0.02 0.11 -0.00 -0.02 -0.00 0.06 0.05 -0.13 0.15 0.04 0.03 -0.03 -0.01 0.02 -0.04 -0.06 0.02 0.08 0.29 0.29 0.01 0.47 -0.23 0.01 -0.11 -0.19 0.06 0.10 -0.02 0.01 0.00 -0.01 -0.05 -0.03 0.01 -0.00 -0.05 -0.01 -0.04 -0.11 -0.00 0.01 0.04 0.01 -0.03 -0.07 -0.00 0.01 -0.01 -0.01 -0.01 0.03 0.01 0.02 0.02 -0.01 0.04 0.07 -0.01 -0.02 -0.02 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 0.01 -0.01 -0.01 0.01 -0.02 -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 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.02 -0.00 -0.01 -0.00 -0.02 -0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.02 -0.03 -0.05 -0.02 0.38 0.41 0.25 0.19 0.15 -0.34 -0.15 -0.03 0.36 -0.00 -0.00 0.00 0.00 0.03 -0.02 0.02 0.00 0.01 -0.02 0.01 -0.01 0.01 0.04 -0.01 0.02 -0.15 -0.22 -0.01 -0.32 0.16 -0.01 0.07 0.19 0.01 -0.02 -0.01 -0.02 0.06 0.02 0.01 -0.03 -0.01 -0.04 -0.02 0.02 0.02 0.05 0.00 -0.02 -0.06 -0.01 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 -0.00 -0.00 0.00 0.00 -0.01 -0.03 0.00 0.00 0.02 0.01 -0.01 -0.01 0.00 -0.00 0.01 0.00 0.02 0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.06 -0.02 -0.23 0.48 -0.18 0.24 0.48 0.42 0.33 -0.25 -0.02 -0.01 0.01 0.00 0.04 0.05 0.03 0.02 -0.03 -0.04 0.01 -0.00 0.07 -0.00 0.00 0.00 0.01 -0.02 -0.01 0.02 -0.00 0.00 0.01 0.00 0.01 0.00 0.00 -0.00 0.01 -0.01 -0.02 0.00 -0.03 0.01 0.01 0.00 0.02 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.01 0.05 0.03 -0.02 -0.03 -0.01 0.01 0.01 -0.04 -0.01 0.02 0.04 -0.01 -0.03 -0.05 0.02 -0.01 -0.03 0.00 0.01 0.01 -0.01 0.00 -0.02 -0.00 0.01 0.01 -0.00 0.01 0.03 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.01 -0.00 -0.03 -0.03 0.00 -0.02 0.02 -0.03 0.00 0.00 0.00 -0.03 -0.02 -0.02 -0.02 -0.01 0.03 0.00 0.00 -0.02 -0.03 -0.05 0.02 0.18 0.46 -0.47 0.52 0.16 0.14 -0.41 0.09 0.04 0.01 -0.01 -0.00 -0.04 -0.00 0.05 0.00 0.06 -0.03 -0.02 0.00 -0.06 0.00 0.02 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 -0.02 -0.00 -0.00 0.01 0.00 0.01 0.02 -0.02 -0.00 0.00 0.01 -0.00 -0.01 0.00 0.01 -0.01 -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 -0.00 -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 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.03 -0.00 -0.02 0.02 -0.06 -0.02 0.04 -0.00 -0.02 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.13 -0.14 0.06 0.15 0.11 -0.04 0.11 -0.05 0.25 0.01 -0.00 0.01 -0.06 -0.18 -0.07 -0.03 0.14 0.06 -0.04 0.03 -0.24 0.01 -0.00 0.02 -0.01 0.24 0.01 -0.01 -0.23 -0.05 -0.16 0.03 -0.29 -0.02 0.01 -0.02 0.29 0.18 -0.11 -0.20 -0.25 0.13 0.17 -0.05 0.45 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.01 0.00 -0.01 -0.02 0.01 0.00 -0.01 0.01 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 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.03 0.01 0.01 -0.02 0.05 0.01 -0.04 0.00 0.02 0.00 -0.01 -0.00 -0.01 0.01 -0.03 -0.21 -0.30 0.12 0.24 0.14 -0.11 0.15 -0.06 0.44 -0.01 0.00 -0.01 0.04 0.10 0.04 0.02 -0.07 -0.04 0.02 -0.02 0.14 0.01 0.01 0.02 -0.04 0.17 0.07 -0.07 -0.24 -0.06 -0.10 0.02 -0.29 0.02 -0.00 0.02 -0.23 -0.15 0.08 0.16 0.19 -0.10 -0.14 0.04 -0.35 0.00 0.01 0.00 -0.00 -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.02 -0.01 -0.00 0.00 0.01 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 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 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.01 0.01 -0.02 -0.19 -0.27 0.11 0.22 0.13 -0.10 0.14 -0.06 0.40 0.00 -0.00 0.00 -0.01 -0.06 -0.02 -0.01 0.06 0.02 -0.02 0.01 -0.08 -0.02 -0.01 -0.03 0.06 -0.30 -0.11 0.12 0.42 0.10 0.18 -0.04 0.50 -0.00 0.00 -0.00 0.03 0.01 -0.02 -0.03 -0.04 0.02 0.02 -0.00 0.06 -0.03 -0.06 -0.02 -0.01 -0.00 0.00 0.01 0.01 -0.00 0.03 0.01 -0.00 0.01 0.05 0.01 0.00 -0.01 -0.00 0.00 0.03 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.01 -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 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.02 0.00 0.01 0.06 -0.07 0.05 0.09 0.01 -0.03 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.11 0.04 0.01 -0.04 -0.07 -0.03 0.03 0.08 -0.01 0.02 -0.04 -0.02 0.37 0.09 -0.01 -0.48 -0.02 0.21 -0.10 0.54 -0.00 -0.00 -0.00 0.01 0.01 -0.02 0.03 0.02 0.01 -0.01 0.00 0.02 -0.01 -0.01 -0.02 0.19 0.22 0.05 -0.17 -0.01 0.01 0.16 -0.08 0.23 0.00 0.02 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.02 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -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 -0.01 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 0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.03 0.01 -0.04 -0.35 -0.04 0.21 0.36 -0.27 0.54 0.52 0.08 -0.17 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 0.01 0.01 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.03 -0.02 -0.02 -0.01 0.01 0.02 0.01 -0.00 -0.04 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 -0.06 -0.07 -0.03 0.04 -0.02 0.01 -0.06 0.03 -0.04 -0.00 0.02 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.02 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.07 0.08 -0.01 0.02 -0.02 -0.01 0.01 0.01 -0.01 -0.06 0.02 0.04 0.04 0.00 -0.03 -0.00 -0.02 -0.00 0.06 -0.01 -0.04 -0.37 -0.22 0.32 -0.14 0.56 0.37 -0.36 -0.13 -0.01 -0.02 0.06 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 -0.01 -0.07 0.01 -0.02 -0.03 -0.09 0.05 0.07 -0.03 0.03 0.00 -0.00 -0.00 0.01 0.01 -0.02 0.02 0.01 0.01 -0.02 0.00 0.01 -0.01 0.01 0.00 0.04 -0.04 -0.09 0.03 -0.11 0.05 -0.02 0.02 0.07 0.02 -0.06 -0.02 -0.03 0.01 0.01 -0.01 0.00 0.00 0.03 -0.02 -0.02 -0.01 0.03 0.01 0.02 -0.00 -0.01 -0.08 -0.04 0.03 0.03 -0.02 -0.02 0.01 0.00 -0.00 -0.04 0.02 0.02 0.04 0.01 -0.02 -0.02 0.02 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 0.01 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.02 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.02 -0.18 0.02 0.09 0.01 0.11 0.18 -0.01 0.03 0.04 -0.01 0.01 -0.00 0.01 -0.00 -0.01 0.01 -0.04 0.01 -0.01 -0.03 -0.02 -0.03 0.03 0.02 -0.02 -0.01 0.02 0.28 -0.03 0.08 0.14 0.31 -0.23 -0.27 0.09 -0.07 -0.01 0.01 0.01 -0.02 -0.04 0.03 -0.04 -0.03 -0.01 0.05 -0.01 -0.03 0.01 -0.03 -0.02 0.14 0.37 0.31 -0.22 0.32 -0.14 0.27 -0.18 -0.01 0.00 0.03 0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.02 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 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 -0.01 -0.01 0.00 0.06 0.06 -0.01 0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.04 0.01 0.03 0.02 -0.02 -0.01 0.01 -0.00 -0.00 0.02 -0.07 -0.03 -0.26 0.61 -0.15 -0.02 0.03 -0.00 0.08 0.42 0.55 -0.02 0.05 0.02 -0.01 0.00 0.00 -0.01 0.03 -0.01 0.01 0.02 0.02 0.02 -0.02 -0.01 0.00 0.00 -0.01 -0.08 0.00 -0.02 -0.04 -0.07 0.06 0.08 -0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.00 -0.02 0.00 -0.02 0.01 0.02 -0.01 0.02 0.02 0.14 0.02 0.04 -0.04 -0.03 -0.02 -0.00 0.01 -0.04 0.01 0.02 -0.03 -0.12 -0.01 -0.00 0.05 0.02 -0.07 -0.08 0.02 0.04 -0.01 -0.02 -0.00 0.01 0.00 -0.03 0.02 0.02 0.06 0.07 -0.02 -0.03 -0.01 0.02 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 0.01 0.08 -0.14 0.02 -0.01 -0.01 -0.03 -0.03 -0.10 -0.13 0.01 -0.02 -0.02 -0.03 0.00 0.01 -0.04 0.13 -0.03 0.02 0.10 0.09 0.11 -0.09 -0.07 0.02 0.00 -0.02 -0.35 -0.03 -0.11 -0.18 -0.29 0.29 0.33 -0.11 -0.04 -0.01 0.02 0.01 -0.04 -0.05 0.06 -0.08 -0.04 -0.01 0.09 -0.02 -0.04 0.01 -0.02 -0.01 0.06 0.26 0.25 -0.16 0.27 -0.12 0.21 -0.14 -0.07 -0.11 0.04 0.05 0.15 0.15 -0.03 0.02 -0.02 -0.01 0.02 -0.02 -0.01 0.11 0.06 -0.03 -0.12 -0.15 0.01 0.09 -0.10 -0.05 0.03 0.30 0.02 -0.03 -0.00 0.01 -0.06 0.02 0.03 -0.01 0.18 0.02 -0.05 -0.27 0.01 -0.06 -0.15 0.01 0.02 0.06 -0.01 -0.05 -0.09 0.00 0.05 0.07 -0.01 0.05 0.10 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.04 -0.00 0.02 0.11 -0.18 0.06 0.01 -0.11 -0.18 -0.19 0.09 0.12 0.04 -0.03 -0.02 0.07 0.05 0.01 0.05 0.07 -0.04 -0.13 0.02 0.06 0.03 -0.04 -0.02 -0.12 -0.07 0.28 -0.31 -0.05 -0.07 0.26 -0.13 -0.16 -0.05 0.02 0.02 0.02 0.13 0.08 -0.04 0.13 -0.03 0.15 -0.12 -0.08 0.21 -0.13 -0.12 -0.29 -0.24 0.08 -0.07 0.04 0.04 -0.01 -0.01 0.00 -0.10 0.02 0.05 0.22 0.23 -0.03 0.18 -0.07 -0.09 -0.03 0.31 0.05 -0.04 0.03 0.02 -0.02 0.03 0.01 -0.06 0.03 0.03 -0.02 -0.25 -0.01 0.03 0.01 -0.01 -0.02 0.00 -0.02 -0.03 0.03 -0.01 0.09 -0.06 0.00 0.02 -0.02 -0.02 -0.00 -0.01 -0.00 0.03 0.03 -0.01 0.00 0.01 -0.00 0.02 -0.03 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.02 0.01 -0.01 -0.00 0.00 -0.01 0.03 0.02 0.09 0.00 -0.04 -0.18 0.17 -0.06 -0.03 0.11 0.22 0.23 -0.09 -0.12 -0.08 0.06 0.05 -0.08 -0.06 0.01 -0.07 -0.06 0.04 0.15 -0.01 -0.07 0.05 -0.06 -0.03 -0.06 -0.00 0.17 -0.18 0.04 -0.04 0.13 -0.09 -0.07 -0.07 0.02 0.04 0.01 0.07 0.02 -0.01 0.07 0.00 0.08 -0.09 -0.04 0.19 0.03 -0.07 -0.13 0.19 0.10 -0.04 -0.14 -0.01 -0.11 -0.16 0.02 -0.01 0.01 0.01 0.02 -0.04 -0.02 -0.12 0.17 0.08 0.23 0.04 -0.11 -0.07 -0.14 0.02 -0.08 -0.19 0.02 0.03 0.01 -0.01 -0.04 -0.03 0.02 -0.02 -0.04 0.00 -0.00 -0.01 -0.00 0.02 0.05 -0.00 0.03 0.05 -0.00 0.03 0.08 -0.00 0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 0.07 -0.03 -0.04 0.06 -0.18 0.02 -0.00 -0.15 -0.12 -0.21 0.16 0.13 -0.05 0.03 0.03 -0.16 -0.05 -0.03 -0.11 -0.09 0.11 0.22 -0.06 -0.10 -0.06 0.04 0.04 -0.11 -0.09 0.15 -0.19 -0.08 -0.01 0.27 -0.07 -0.15 0.06 -0.03 -0.03 -0.00 -0.16 -0.12 0.06 -0.17 0.04 -0.18 0.15 0.10 0.17 0.06 -0.06 -0.09 0.25 0.10 -0.03 -0.16 -0.02 -0.12 -0.17 0.02 -0.03 -0.01 0.01 -0.01 -0.08 -0.02 0.10 -0.17 -0.07 -0.21 -0.08 0.10 0.07 0.13 -0.02 0.08 0.17 -0.02 -0.02 0.02 0.01 0.05 0.05 -0.02 0.01 -0.01 -0.01 -0.01 0.01 0.02 -0.00 0.01 0.03 -0.03 0.02 0.00 0.02 -0.01 -0.00 0.00 0.00 0.00 -0.02 -0.02 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.06 -0.03 -0.03 0.10 -0.20 0.02 0.01 -0.16 -0.15 -0.24 0.17 0.15 -0.04 0.02 0.02 -0.17 -0.05 -0.03 -0.11 -0.09 0.12 0.22 -0.06 -0.10 0.05 -0.02 -0.03 0.11 0.07 -0.15 0.19 0.05 0.01 -0.24 0.08 0.14 -0.05 0.02 0.03 -0.00 0.15 0.12 -0.06 0.16 -0.04 0.17 -0.14 -0.10 0.13 -0.03 -0.06 0.13 -0.01 -0.06 -0.13 0.04 0.07 0.16 -0.10 -0.09 -0.03 0.00 0.02 -0.04 -0.02 0.01 -0.29 0.15 0.16 -0.28 0.19 0.16 0.32 -0.15 -0.17 -0.46 0.23 0.24 0.08 -0.02 -0.04 0.03 -0.09 -0.03 -0.01 0.02 0.00 0.00 0.02 0.00 -0.03 -0.05 0.01 -0.01 -0.03 0.01 -0.00 0.04 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 -0.04 0.00 0.02 0.01 0.02 0.01 0.01 0.02 -0.01 0.00 -0.02 -0.00 -0.03 0.02 0.02 -0.06 -0.02 -0.00 -0.05 -0.02 0.04 0.07 -0.01 -0.04 0.08 -0.07 -0.05 0.06 0.04 -0.04 0.07 0.03 -0.02 -0.10 -0.02 0.05 0.09 -0.03 -0.05 0.02 -0.10 -0.06 0.05 -0.10 -0.00 -0.08 0.10 0.05 0.31 -0.15 -0.17 0.33 -0.04 -0.16 -0.33 0.13 0.17 0.45 -0.25 -0.25 -0.05 0.09 0.04 -0.11 -0.08 0.03 0.12 -0.04 -0.06 0.11 -0.08 -0.06 -0.12 0.06 0.07 0.18 -0.10 -0.10 -0.05 -0.02 0.02 -0.01 0.05 0.01 0.02 -0.02 -0.01 0.02 0.00 -0.01 0.02 -0.04 -0.00 -0.04 0.01 -0.01 0.05 0.00 -0.02 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.10 0.01 0.05 0.00 0.04 0.02 -0.00 0.05 -0.00 -0.00 -0.06 -0.01 -0.08 0.06 0.05 -0.10 -0.04 0.01 -0.08 -0.04 0.05 0.12 0.00 -0.06 -0.03 0.03 0.02 -0.02 -0.01 0.01 -0.02 -0.01 0.01 0.02 0.01 -0.01 -0.04 0.01 0.02 -0.01 0.03 0.01 -0.01 0.03 0.00 0.01 -0.03 -0.01 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 -0.10 -0.38 -0.05 0.42 0.08 -0.17 0.06 0.42 0.08 0.27 -0.22 -0.17 0.03 0.08 -0.01 -0.00 0.00 0.00 -0.02 -0.10 -0.01 -0.01 0.00 0.00 0.04 -0.02 -0.01 0.01 -0.03 -0.01 0.02 -0.01 -0.03 -0.32 0.32 0.25 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 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 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.02 0.02 0.07 0.01 -0.07 -0.01 0.02 0.00 -0.18 -0.04 -0.09 0.27 0.09 0.16 0.74 0.05 -0.03 -0.05 0.00 -0.11 -0.45 -0.02 -0.01 0.02 0.01 0.10 0.00 -0.02 0.07 -0.16 -0.07 0.09 0.02 -0.07 0.07 -0.06 -0.05 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.03 0.00 0.01 0.04 -0.05 -0.05 0.02 -0.00 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.00 0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 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 -0.08 -0.16 0.07 -0.04 0.24 -0.05 0.95 -0.00 -0.00 -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 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.08 0.04 -0.02 0.89 -0.39 0.12 0.02 -0.00 0.15 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.08 0.04 0.04 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.79 -0.39 -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -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 -0.02 0.01 0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.01 0.02 -0.06 0.04 0.00 0.03 -0.01 -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 0.04 -0.02 -0.03 -0.30 0.35 -0.33 0.10 0.29 0.63 -0.22 -0.36 0.05 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -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 0.04 -0.02 -0.03 -0.15 -0.23 0.64 -0.46 -0.00 -0.31 0.15 0.41 0.02 0.00 -0.00 -0.00 -0.02 -0.00 -0.01 -0.00 -0.01 0.02 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.03 0.03 -0.03 0.01 0.03 0.05 -0.02 -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 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.04 -0.03 0.35 0.24 0.54 -0.37 -0.22 0.13 -0.15 0.42 -0.34 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.00 -0.01 -0.00 -0.01 0.02 0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 0.01 0.02 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 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 -0.02 0.01 0.01 -0.00 0.01 -0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.05 0.03 -0.04 0.03 0.02 0.04 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.02 0.02 0.00 0.01 -0.01 -0.01 -0.00 0.04 -0.02 -0.03 -0.52 -0.05 -0.28 -0.08 -0.16 0.62 0.14 0.45 -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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 0.04 -0.02 -0.03 0.09 0.22 0.58 -0.32 0.41 -0.31 -0.25 -0.41 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.00 -0.03 -0.01 -0.01 0.06 0.01 0.04 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.05 0.00 -0.08 0.39 -0.47 0.40 0.08 0.29 0.59 0.07 0.12 -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 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.03 -0.08 -0.16 -0.22 0.62 0.60 0.01 0.38 -0.07 -0.17 -0.02 -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 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -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 -0.04 0.01 -0.08 0.63 0.07 0.32 -0.10 -0.17 0.67 -0.03 -0.06 -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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -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 -0.08 0.09 0.26 0.65 0.37 -0.48 0.35 0.02 0.04 -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 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.05 -0.02 0.08 -0.34 -0.25 -0.53 -0.12 -0.08 0.06 -0.17 0.55 -0.43 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -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 -0.00 -0.00 0.00 -0.00 -0.02 -0.07 -0.01 -0.43 0.47 0.32 -0.01 0.01 0.00 0.09 0.03 -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 0.61 0.22 -0.23 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 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 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 0.01 -0.00 0.01 0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.09 0.01 -0.21 0.23 -0.21 0.03 0.08 0.20 0.46 0.76 -0.11 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.02 -0.01 0.01 -0.01 0.03 0.04 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 0.02 0.00 -0.05 -0.08 0.01 0.32 0.02 0.18 0.03 0.06 -0.28 0.26 0.83 -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 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.01 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.06 -0.07 -0.01 0.04 0.06 -0.19 0.35 -0.01 0.23 0.29 0.83 0.06 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.02 0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 -0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.09 -0.00 0.04 0.10 0.29 -0.20 0.23 -0.19 0.45 0.74 -0.04 -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 -0.02 -0.00 -0.01 -0.00 -0.00 0.02 -0.01 -0.05 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.06 -0.07 0.03 0.11 0.07 0.18 0.72 0.44 -0.27 -0.11 0.30 -0.25 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -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 -0.08 -0.03 0.03 0.87 0.32 -0.34 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.13 -0.04 0.05 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 -0.09 0.02 0.05 0.42 -0.46 -0.31 -0.01 -0.00 0.00 0.09 0.03 -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 0.62 0.23 -0.23 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.04 -0.08 0.01 0.40 0.91 -0.10 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -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 -0.04 -0.08 -0.00 0.43 0.90 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 6 6 6 1 7 7 6 6 6 1 7 7 5 5 1 1 1 6 1 6 1 6 8 8 6 1 1 1 1 6 1 1 1 6 1 1 1 6 1 1 1 6 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 6 6 6 1 7 7 6 6 6 1 7 7 5 5 1 1 1 6 1 6 1 6 8 8 6 1 1 1 1 6 1 1 1 6 1 1 1 6 1 1 1 6 1 1 1 12.00000 12.00000 12.00000 1.00783 14.00307 14.00307 12.00000 12.00000 12.00000 1.00783 14.00307 14.00307 11.00931 11.00931 1.00783 1.00783 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 15.99491 15.99491 12.00000 1.00783 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 301.20071 5689.61164 6060.16665 9498.31412 0.99925 -0.02581 -0.02883 0.02635 0.99949 0.01827 0.02834 -0.01901 0.99942 asymmetric 1 0.01522 0.01429 0.00912 0.31720 0.29780 0.19001 973469.7 30.35 38.14 63.31 72.10 99.60 108.15 138.24 157.08 192.83 193.47 211.52 218.97 236.73 251.82 256.57 272.04 296.78 302.45 316.96 323.14 341.07 349.51 356.19 387.40 420.87 489.31 499.44 547.36 586.25 696.55 700.06 714.24 746.14 791.50 862.29 872.71 905.77 917.09 926.99 949.38 966.90 971.69 982.75 1031.93 1129.85 1177.21 1178.44 1181.84 1274.52 1278.52 1286.68 1364.95 1400.98 1420.36 1440.12 1448.89 1452.27 1461.21 1467.06 1485.63 1515.66 1517.97 1523.80 1527.06 1537.42 1596.92 1626.75 1648.83 1678.84 1691.72 1693.61 1702.60 1745.42 1750.68 1753.59 1848.87 1860.78 1884.07 1914.30 1930.78 2015.25 2019.13 2022.68 2025.43 2038.49 2054.04 2076.28 2087.38 2091.29 2095.23 2096.26 2096.88 2102.69 2112.34 2121.95 2128.54 2139.38 2150.79 2193.31 2220.77 2245.55 2250.76 2313.58 2328.89 2454.01 2659.29 3462.21 3612.56 3896.07 4379.20 4388.38 4398.38 4400.16 4404.25 4501.30 4520.05 4523.67 4529.82 4539.68 4566.48 4568.24 4572.43 4573.44 4575.62 4597.28 4640.46 4722.74 4727.90 4730.66 0.370775 0.394797 0.395742 0.316073 -965.190183 -965.166161 -965.165216 -965.244885 247.739 88.475 167.676 0.000 0.000 1.377 0.889 2.981 43.005 0.889 2.981 34.148 245.962 82.514 89.146 1 0.593 1.985 6.529 2 0.593 1.984 6.075 3 0.595 1.980 5.070 4 0.595 1.978 4.813 5 0.598 1.969 4.175 6 0.599 1.966 4.013 7 0.603 1.952 3.532 8 0.606 1.942 3.283 9 0.613 1.919 2.887 10 0.613 1.919 2.881 11 0.617 1.906 2.710 12 0.619 1.900 2.645 13 0.623 1.886 2.497 14 0.627 1.873 2.381 15 0.629 1.869 2.346 16 0.633 1.855 2.237 17 0.641 1.831 2.076 18 0.642 1.825 2.042 19 0.647 1.810 1.957 20 0.649 1.804 1.922 21 0.656 1.784 1.825 22 0.659 1.774 1.781 23 0.661 1.767 1.748 24 0.674 1.730 1.601 25 0.688 1.688 1.459 26 0.720 1.595 1.212 27 0.725 1.581 1.179 28 0.750 1.512 1.037 29 0.772 1.454 0.936 30 0.840 1.285 0.699 31 0.843 1.280 0.693 32 0.852 1.258 0.667 33 0.874 1.209 0.613 34 0.905 1.139 0.544 35 0.957 1.033 0.451 36 0.965 1.018 0.439 0.144899e+26 25.161065 57.935493 0.544308e+10 9.735845 22.417611 0.200000e+01 0.301030 0.693147 0.205465e+09 8.312738 19.140786 0.647817e+07 6.811452 15.683949 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.8932 1.0016 -1.5994 2.0878 -118.8106 -121.2665 -134.7190 5.1170 -5.7067 4.9124 6.1214 3.6656 -9.7870 5.1170 -5.7067 4.9124 47.3231 17.7698 3.0172 -5.6282 -30.8738 -4.2950 13.5259 -2.4090 -12.0820 4.9222 -3526.3042 -3349.2118 -1052.4219 -23.3583 -40.3424 33.6662 52.2914 -2.5952 -2.1242 -1150.0439 -829.1965 -787.4447 -26.2957 -26.4265 1.2473 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) 0 2-A -965.560958 0.770328 0. 0.750341 3.348E-9 4.574E-6 0.370775 0.3947974 -965.1661606 -965.1652165 -965.2448848 4.293927,5.7511017,-10.0450288,-2.5281306,1.5242704,1.1974171 C01 [X(C14H23B2N4O2)] 0.4034641 -0.4121593 0.5848626 0.5633311 -0.4274697 0.0371086 0.0939014 -0.2545622 0.0091642 0.0449769 0.0250463 0.0032807 0.3611988 0.0948 0.048599 0.6081741 -0.8328794 0.0003896 -0.0169576 0.0471798 0.0038629 -0.5987328 0.6520031 -0.0102709 -0.1353556 0.0722242 -0.038556 -0.0515683 0.0584165 -0.2104241 0.0943737 0.0243738 -0.0045653 0.0200857 -0.0235788 0.0094021 0.0003414 0.0199525 0.1441129 -0.0294948 -0.6830517 -0.0131981 -0.3174252 0.9799206 0.0013542 0.0074707 -0.2242093 0.0581369 -0.2859816 -0.1930808 -0.0977638 -0.6302383 0.2136988 -0.0642597 0.059062 -0.100174 -0.0945636 0.351733 0.7015706 -0.1236018 0.0530828 -0.4271168 0.0697241 0.1474717 -0.0730761 -0.163796 0.3776753 0.2240435 0.004604 -0.3282175 -0.8083481 0.2195292 0.0630537 0.239878 -0.0048241 -0.3423958 -0.7023184 0.1254526 0.043354 -0.0814995 0.0000963 -0.0785778 -0.0735474 -0.148515 0.0966945 0.0080133 -0.0034747 0.0081029 -0.0251687 0.0404045 0.001827 0.0236278 0.1317619 -0.18919 0.5866917 -0.1257982 0.055202 1.524658 -0.3042094 -0.0738416 -0.0477444 0.0504149 -0.4560345 -0.2795717 -0.0895439 0.5282629 0.3346433 -0.0842575 -0.0844919 -0.1144547 -0.1576745 0.182558 0.0114006 0.1282689 0.193016 -1.2834564 0.0545209 0.3030544 0.0456374 -0.5791164 0.7201559 0.0707155 0.038007 0.0215917 0.2483431 0.0448523 0.0572099 0.0518392 0.5686315 -0.3551169 -0.0137397 0.0791021 -0.0012733 -0.1029852 0.0031665 0.1500714 0.0066733 -0.1584561 -0.1833126 0.0002791 0.0332533 -0.0319622 -0.0713247 -0.0295876 -0.1636782 -0.056688 -0.3415761 -0.189966 -0.0279683 -0.0592213 -0.0234185 -0.0899568 0.0284527 -0.093987 0.031962 0.0991296 0.0591464 -0.0293629 -0.0215989 0.3155213 -0.1737417 -0.5053449 -0.0018654 -0.0618803 -0.1480902 -0.0263484 -0.0475883 -0.0209659 -0.0168782 0.0391676 -0.0010101 -0.0150436 0.0329057 0.1301937 -0.3413601 -0.1005663 0.2370267 -0.4592449 -0.0081021 0.4702203 -0.0926586 0.1231921 0.0354694 -0.0091871 0.0039119 -0.0142258 0.0171015 0.0100476 0.0165482 -0.0104808 -0.0022216 0.1175598 1.9631349 0.0910261 -0.4563976 -0.200218 1.0479396 -0.3507264 -0.0514792 -0.0790728 0.7263796 -1.7690869 0.0707624 0.1686985 0.2700702 -0.523746 -0.0412992 -0.1888862 0.0082826 -0.3705349 -0.7390113 -0.1500515 0.1719484 -0.1735644 -0.8245524 0.4835659 0.1494897 0.0885501 -0.6083699 0.9391064 0.0733323 -0.0930144 0.2421378 0.2605542 -0.035254 0.083998 0.0133117 0.2412632 -0.0121716 0.0338758 0.0453593 -0.0602784 0.0065133 -0.0553157 -0.0313235 -0.0599453 -0.0390992 -0.0564831 0.027393 -0.0073496 0.1101272 -0.0140041 0.0133422 -0.0439204 0.0201459 0.0763886 -0.0182457 0.000078 -0.0059158 -0.1075086 0.0339491 0.0637958 0.0563571 0.0506874 -0.0367828 0.027454 0.0382482 -0.0212639 0.0269674 0.0526975 0.0052115 -0.0243209 0.0349114 0.1143858 -0.0165372 -0.0681817 -0.0082503 -0.0946204 0.1323866 -0.0154948 0.0005738 -0.0209029 0.0379919 -0.027512 0.0805103 -0.0115266 -0.0282616 0.0564876 -0.0671107 -0.0618682 -0.0122197 -0.0097752 -0.0510372 0.0789216 0.0207077 -0.0306019 0.0634026 0.055422 0.0582819 0.0282087 0.0018778 0.0383856 0.0085382 -0.0050588 0.0885418 -0.1007127 0.0180715 -0.0136729 0.0151458 0.0890696 -0.1044418 0.1427123 0.0642651 0.0265364 0.1750526 -0.0257641 0.0319472 0.0603355 0.0387022 0.0017727 -0.1198689 -0.044872 0.0119061 0.0920565 0.07496 -0.0739302 -0.075935 -0.0358465 0.0083691 -0.1006032 -0.0033909 0.0070703 0.0941964 -0.0016655 0.0078501 0.0001644 0.0686635 0.0570377 0.0309036 -0.0059042 -0.0428123 -0.1235506 -0.0004781 -0.0049639 0.0115484 0.0909304 -0.0236668 0.0421935 -0.0198884 0.053606 0.155993 -0.0197822 -0.0190682 -0.0093649 0.0407091 -0.0477883 -0.0855022 0.0596387 0.0265165 0.0325999 -0.0553139 0.0625943 -0.0224485 0.025902 -0.0145642 -0.090263 0.0032443 -0.0108925 0.0532242 0.0408408 -0.0701093 -0.0321389 -0.0333049 0.0513734 0.0286004 -0.0090451 -0.0547131 -0.1106432 0.0379526 0.0036819 0.0383349 0.0804991 -0.0098716 -0.1975589 0.1130648 -0.0606923 0.1153934 0.0137417 0.0356845 -0.0494235 0.0799047 -0.0198414 0.0803429 -0.0340147 -0.0283669 0.0850094 -0.0058695 0.033915 -0.0143547 0.0386767 -0.0194521 0.0966306 -0.0556089 -0.0642186 0.0912051 -0.1227174 -0.0769583 0.0316137 -0.032485 0.0433315 0.0148749 -0.0126192 0.0798865 -0.091435 0.049288 -0.0152607 0.0222509 0.0793356 251.4531262|-9.6296373|324.2937768|-8.9754645|-12.7374593|164.428403 0.000002323 0.000005294 0.000003203 -0.000000275 -0.000002243 -0.000001487 0.000005726 -0.000002086 0.000004983 -0.000001000 -0.000000311 0.000000033 -0.000006689 0.000000613 -0.000006905 -0.000001231 -0.000005789 0.000005258 0.000000743 0.000000650 -0.000000536 0.000002176 -0.000005377 -0.000003969 -0.000001469 0.000005353 0.000001600 0.000000628 -0.000000732 -0.000001381 -0.000009881 -0.000000056 -0.000001746 0.000006124 -0.000000871 0.000002778 0.000000984 -0.000000794 -0.000000960 -0.000002285 0.000003276 0.000000797 0.000000112 -0.000000090 -0.000001240 -0.000000819 -0.000000032 -0.000002364 -0.000000451 0.000001900 0.000002934 -0.000003214 -0.000006241 0.000000314 0.000001279 0.000001447 -0.000001357 -0.000003484 0.000003767 0.000002037 0.000002784 0.000001025 -0.000000889 0.000003848 -0.000005226 -0.000005109 -0.000005830 0.000006743 0.000010123 0.000001947 0.000004517 -0.000001190 0.000007133 0.000004649 -0.000008284 0.000000077 0.000001319 0.000000950 -0.000011059 0.000001801 0.000007957 0.000000605 -0.000000530 0.000000932 0.000004834 0.000004832 -0.000000324 -0.000000408 0.000002264 -0.000001676 -0.000000066 0.000000466 0.000000926 0.000000394 -0.000001530 0.000000215 0.000000573 -0.000000098 0.000000752 0.000003916 -0.000000003 0.000002847 -0.000000607 0.000001193 0.000001042 -0.000001475 -0.000000585 -0.000000358 -0.000000134 -0.000000320 0.000002625 -0.000001591 -0.000000214 -0.000004385 0.000000612 0.000000963 -0.000001460 0.000000139 0.000000069 -0.000000900 -0.000000820 -0.000000017 -0.000002032 -0.000008536 0.000013459 -0.000000258 0.000016293 -0.000030313 -0.000002108 -0.000000228 -0.000001894 -0.000000791 -0.000001698 -0.000000247 -0.000000598 277.7973999999999 AuxInfo=1/0/N:34,30,42,38,3,9,1,2,7,8,13,14,5,6,11,12;18,25,20,22,24,23/E:(1,3)(2,4)(5,6)(7,9)(8,10)(13,15)(14,16);/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.4;1.3,3.3,4.3,5.1/rA:45nC3C3C3HNNC3C3C3HNNBB4HHHC3HC3HC3OO1CHHHHCHHHCHHHCHHHCHHH/rB:;s1s2;s3;s1;s2s5;;;s7s8;s9;s7;s8s11;s5s11;s6s12;s14;s14;s13;;s18;s18;s20;s20;s22;s22;s23;s25;s25;s25;s18;s2;s30;s30;s30;s1;s34;s34;s34;s8;s38;s38;s38;s7;s42;s42;s42;/rC:.3416,2.6328,.1127;-1.8614,2.3488,-.1189;-.8574,3.3161,-.0738;-.9831,4.3908,-.1706;.0492,1.3064,.181;-1.2906,1.1413,.0417;.9322,-2.3113,.8448;-1.2682,-2.6253,.6191;-.0701,-3.2807,.8924;.0608,-4.3395,1.0983;.3354,-1.1173,.5734;-1.0001,-1.3175,.424;.9534,.1842,.4142;-1.9453,-.2508,-.1997;-3.0327,-.2911,.3536;-2.0494,-.4481,-1.4126;2.1239,.3496,.5784;.8821,-2.0589,-2.474;-.0819,-2.5582,-2.5938;.967,-.7254,-2.5126;.0862,-.1017,-2.6796;2.2207,.0442,-2.3466;3.2763,-.7228,-2.0218;2.309,1.2397,-2.5007;4.4941,-.0398,-1.7975;4.4078,.6322,-.9295;5.249,-.8098,-1.6006;4.7808,.5583,-2.6743;1.7643,-2.681,-2.3088;-3.3274,2.5039,-.3333;-3.6522,1.9694,-1.2388;-3.8972,2.0892,.5115;-3.5807,3.5659,-.4428;1.7348,3.1396,.2339;2.1853,2.8452,1.1952;2.3583,2.7343,-.5774;1.7388,4.2348,.1679;-2.6497,-3.1684,.4963;-3.3336,-2.6785,1.2055;-3.0537,-2.9975,-.5135;-2.649,-4.2474,.6957;2.4019,-2.4179,1.0436;2.9389,-2.0569,.1521;2.7372,-1.8108,1.9007;2.6811,-3.463,1.2274; Gaussian 16 19-Dec-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 129 C1[X(C14H23B2N4O2)] UwB97XD def2TZVPP SP #p wB97xD/Def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 277.7973999999999 AuxInfo=1/0/N:34,30,42,38,3,9,1,2,7,8,13,14,5,6,11,12;18,25,20,22,24,23/E:(1,3)(2,4)(5,6)(7,9)(8,10)(13,15)(14,16);/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.4;1.3,3.3,4.3,5.1/rA:45nC3C3C3HNNC3C3C3HNNBB4HHHC3HC3HC3OO1CHHHHCHHHCHHHCHHHCHHH/rB:;s1s2;s3;s1;s2s5;;;s7s8;s9;s7;s8s11;s5s11;s6s12;s14;s14;s13;;s18;s18;s20;s20;s22;s22;s23;s25;s25;s25;s18;s2;s30;s30;s30;s1;s34;s34;s34;s8;s38;s38;s38;s7;s42;s42;s42;/rC:.3416,2.6328,.1127;-1.8614,2.3488,-.1189;-.8574,3.3161,-.0738;-.9831,4.3908,-.1706;.0492,1.3064,.181;-1.2906,1.1413,.0417;.9322,-2.3113,.8448;-1.2682,-2.6253,.6191;-.0701,-3.2807,.8924;.0608,-4.3395,1.0983;.3354,-1.1173,.5734;-1.0001,-1.3175,.424;.9534,.1842,.4142;-1.9453,-.2508,-.1997;-3.0327,-.2911,.3536;-2.0494,-.4481,-1.4126;2.1239,.3496,.5784;.8821,-2.0589,-2.474;-.0819,-2.5582,-2.5938;.967,-.7254,-2.5126;.0862,-.1017,-2.6796;2.2207,.0442,-2.3466;3.2763,-.7228,-2.0218;2.309,1.2397,-2.5007;4.4941,-.0398,-1.7975;4.4078,.6322,-.9295;5.249,-.8098,-1.6006;4.7808,.5584,-2.6743;1.7643,-2.681,-2.3088;-3.3274,2.5039,-.3333;-3.6522,1.9694,-1.2388;-3.8972,2.0892,.5115;-3.5807,3.5659,-.4428;1.7348,3.1396,.2339;2.1853,2.8452,1.1952;2.3583,2.7343,-.5774;1.7388,4.2348,.1679;-2.6497,-3.1684,.4963;-3.3336,-2.6785,1.2055;-3.0537,-2.9975,-.5135;-2.649,-4.2474,.6957;2.4019,-2.4179,1.0436;2.9389,-2.0569,.1521;2.7372,-1.8108,1.9007;2.6811,-3.463,1.2274; chk=51_COOMe_a.chk Mem=12000MB NProc=12 #p wB97xD/Def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 1/29=7,38=1,172=1/1 2/12=2,40=1/2 3/5=44,7=202,11=2,14=-4,24=110,25=1,30=1,74=-58,116=-2/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 coments Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 12 12 12 1 14 14 12 12 12 1 14 14 11 11 1 1 1 12 1 12 1 12 16 16 12 1 1 1 1 12 1 1 1 12 1 1 1 12 1 1 1 12 1 1 1 12.0000000 12.0000000 12.0000000 1.0078250 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 1.0078250 14.0030740 14.0030740 11.0093053 11.0093053 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 1 2 2 0 0 0 1 2 2 3 3 1 1 1 0 1 0 1 0 0 0 0 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 3.6000000 3.6000000 3.6000000 1.0000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 1.0000000 4.5500000 4.5500000 2.7500000 2.7500000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "51_COOMe_a.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 1137 A 1004 A 1004 1513 1137 81 80 1899.4823961816 45 45 45 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0424749721 0.000000 2.233303 0.000000 1.392595 1.394891 0.000000 2.219430 2.223496 1.086386 0.000000 1.359944 2.197068 2.219398 3.271546 0.000000 2.212171 1.345213 2.220496 3.270912 1.357152 0.000000 5.032817 5.518182 5.976178 7.044058 3.782657 4.184151 0.000000 5.522271 5.063456 5.995767 7.066203 4.169639 3.810716 2.234114 0.000000 5.978872 5.993571 6.713503 7.798461 4.643487 4.665588 1.395247 1.392640 0.000000 7.047207 7.064719 7.799052 8.883621 5.719960 5.743036 2.221948 2.221327 1.086559 0.000000 3.778290 4.161628 4.636442 5.712398 2.471892 2.833379 1.362220 2.201701 2.224075 3.276197 0.000000 4.183526 3.805051 4.662439 5.739237 2.836376 2.505272 2.213328 1.349190 2.222261 3.273052 1.358648 0.000000 2.541742 3.590629 3.650406 4.667681 1.459830 2.467864 2.532574 3.587614 3.644492 4.661453 1.449611 2.464048 0.000000 3.693611 2.602268 3.731266 4.740439 2.558891 1.557242 3.690081 2.601350 3.726765 4.735653 2.559249 1.555639 2.994717 0.000000 4.471363 2.926445 4.233941 5.137679 3.475651 2.276816 4.477045 2.938206 4.243269 5.149251 3.474932 2.278183 4.014822 1.220775 0.000000 4.187539 3.087372 4.169225 5.108324 3.165753 2.284111 4.178244 3.078688 4.153782 5.089271 3.174776 2.286865 3.571223 1.233243 2.027538 0.000000 2.933664 4.512857 4.256010 5.152290 2.318989 3.545974 2.927734 4.511964 4.253416 5.149196 2.313151 3.544364 1.193488 4.186181 5.201142 4.692222 0.000000 5.384715 5.701009 6.138179 7.098153 4.366665 4.614243 3.328787 3.809417 3.705672 4.317069 3.236095 3.534193 3.657624 4.054078 5.142599 3.509263 4.081696 0.000000 5.869494 5.776742 6.438867 7.414395 4.759373 4.700387 3.593523 3.425526 3.560243 4.101821 3.504497 3.389566 4.200069 3.811522 4.747019 3.117490 4.835683 1.092233 0.000000 4.308171 4.814573 5.060540 5.955081 3.496498 3.886629 3.713349 4.291069 4.381712 5.188650 3.174293 3.583775 3.064868 3.749108 4.939749 3.222632 3.471088 1.336824 2.113335 0.000000 3.916539 4.044129 4.400133 5.255543 3.188516 3.293336 4.244992 4.368550 4.784307 5.677366 3.416963 3.505726 3.225670 3.209158 4.354673 2.507157 3.869188 2.122882 2.463798 1.092108 0.000000 4.034809 5.190129 5.034392 5.821700 3.563263 4.386018 4.170615 5.300370 5.176303 5.979101 3.664714 4.461372 3.040944 4.695900 5.916227 4.398690 2.942508 2.496252 3.483654 1.480416 2.165282 0.000000 4.942550 6.281118 6.098773 6.907905 4.402737 5.346996 4.029368 5.589828 5.121928 5.758044 3.942096 4.962186 3.486077 5.550478 6.755216 5.367478 3.039653 2.778813 3.869549 2.360914 3.315960 1.344682 0.000000 3.555426 4.929010 4.497426 5.118270 3.507437 4.408016 5.069300 6.121038 6.132464 7.009600 4.347498 5.103206 3.383473 5.061088 6.246876 4.798725 3.210554 3.594063 4.488750 2.379566 2.602299 1.208574 2.239779 0.000000 5.294777 6.993985 6.547624 7.230275 5.048117 6.183936 4.982874 6.762310 6.210613 6.821120 4.906894 6.062508 4.180710 6.638005 7.832217 6.567524 3.378557 4.192983 5.283607 3.663607 4.495763 2.340280 1.414180 2.628012 0.000000 4.649972 6.550311 5.971386 6.615507 4.548026 5.802950 4.887927 6.724984 6.219449 6.908362 4.680156 5.905771 3.733462 6.455479 7.606544 6.564688 2.751330 4.696527 5.753712 4.023412 4.719885 2.671494 2.075867 2.691229 1.101058 0.000000 6.234483 7.920221 7.526051 8.241960 5.889785 7.019307 5.183566 7.120157 6.372903 6.830850 5.381889 6.588471 4.847623 7.350662 8.524950 7.309759 3.982273 4.625243 5.697539 4.378871 5.321692 3.233620 2.019017 3.695169 1.096126 1.799194 0.000000 5.637121 7.338609 6.793887 7.360648 5.576737 6.676766 5.952399 7.587648 7.140835 7.778182 5.754790 6.821817 4.932307 7.212399 8.422650 7.018318 4.205121 4.700024 5.776303 4.027342 4.740841 2.631720 2.081034 2.569933 1.099402 1.785715 1.801023 0.000000 6.010304 6.575746 6.916149 7.882290 5.003958 5.428425 3.282467 4.215665 3.738013 4.154692 3.576919 4.119373 4.035051 4.910696 5.984288 4.509241 4.201168 1.092025 1.872112 2.121720 3.099425 2.763390 2.490529 3.962929 3.832625 4.457226 4.018194 4.441392 0.000000 3.698271 1.489677 2.613017 3.013728 3.619417 2.479062 6.536009 5.608638 6.750863 7.769321 5.229857 4.537963 4.925931 3.084961 2.893191 3.393057 5.932040 6.566744 6.424056 5.798214 4.893518 6.394131 7.541365 6.169631 8.354063 7.980706 9.281221 8.660763 7.530704 0.000000 4.268155 2.145940 3.313867 3.758800 4.019413 2.811105 6.609298 5.499678 6.703443 7.684425 5.358378 4.538911 5.208662 2.987076 2.833516 2.905732 6.268099 6.189692 5.922980 5.497312 4.509985 6.278845 7.474282 6.136744 8.408960 8.175951 9.331935 8.669886 7.218639 1.100564 0.000000 4.292111 2.146912 3.329914 3.775533 4.036897 2.813090 6.542160 5.399127 6.605143 7.572267 5.310417 4.472892 5.212185 3.129197 2.537329 3.681669 6.267751 6.997293 6.767428 6.381793 5.554286 7.055460 8.110790 6.950643 8.959827 8.554074 9.824366 9.370226 7.922243 1.100143 1.771433 0.000000 4.069908 2.131248 2.759563 2.739051 4.320992 3.370122 7.521077 6.693764 7.809139 8.839176 6.188759 5.590906 5.720845 4.159466 3.976221 4.404259 6.627991 7.461949 7.373792 6.586355 5.647994 7.048607 8.240465 6.658398 8.946445 8.524056 9.922224 9.161888 8.430561 1.097207 1.785366 1.786423 0.000000 1.487459 3.699002 2.616347 3.019286 2.490923 3.630890 5.543515 6.511594 6.701668 7.712782 4.493912 5.232777 3.062253 5.022571 5.874805 5.468361 2.838035 5.923213 6.615249 4.803195 4.659629 4.059107 4.731069 3.378961 4.674279 3.845208 5.595751 4.939493 6.351804 5.133387 5.705950 5.735859 5.375368 0.000000 2.148522 4.283606 3.330214 3.780667 2.821233 4.039277 5.318127 6.494960 6.534917 7.492811 4.417016 5.298069 3.034488 5.347216 6.145915 5.964826 2.571384 6.261891 6.978050 5.289678 5.301335 4.515613 4.926469 4.031464 4.754968 3.788291 5.528201 5.190291 6.556938 5.730866 6.384972 6.167348 6.037387 1.101756 0.000000 2.133889 4.262014 3.306441 3.751571 2.818840 4.029342 5.432801 6.580935 6.651200 7.624024 4.500200 5.357146 3.075688 5.251152 6.251624 5.500308 2.660430 5.362053 6.166985 4.201229 4.198187 3.222697 3.857627 2.436330 3.707587 2.956948 4.686554 3.873069 5.716313 5.695586 6.094947 6.382253 5.998463 1.100501 1.784449 0.000000 2.126391 4.074373 2.764505 2.747268 3.380868 4.331596 6.630296 7.503765 7.764026 8.786353 5.547890 6.196382 4.133335 5.816209 6.579138 6.227195 3.925780 6.879273 7.555591 5.690683 5.444650 4.910792 5.633573 4.051841 5.452231 4.615950 6.395067 5.554142 7.345927 5.377091 6.014429 6.040349 5.396072 1.097166 1.784909 1.786234 0.000000 6.538249 5.607071 6.751723 7.769423 5.235204 4.541734 3.699512 1.489532 2.612220 3.013480 3.622649 2.480356 4.922322 3.081009 2.906212 3.376978 5.930455 4.746282 4.063785 5.301153 5.193818 6.490277 6.887627 7.280194 8.129204 8.141555 8.505861 8.896854 5.252619 5.772573 5.514688 5.403607 6.862850 7.686603 7.747817 7.815051 8.612417 0.000000 6.550685 5.403284 6.610880 7.575902 5.326619 4.485469 4.296777 2.147734 3.333290 3.780543 4.037112 2.812184 5.215368 3.129804 2.552716 3.671279 6.272725 5.629808 5.002242 6.011166 5.781755 7.133090 7.611265 7.805551 8.789438 8.686059 9.221035 9.558980 6.191880 5.406093 5.261081 4.850862 6.463007 7.777133 7.808310 8.054532 8.637111 1.100291 0.000000 6.604625 5.491882 6.699184 7.680689 5.351125 4.532888 4.266616 2.147020 3.310375 3.754933 4.025267 2.814029 5.200137 2.978502 2.842056 2.883838 6.261276 4.496146 3.654070 5.032423 4.789231 6.358628 6.893391 7.117669 8.207742 8.307924 8.654681 8.870945 5.151419 5.511217 5.055108 5.257114 6.584894 7.820071 8.031470 7.883436 8.702824 1.100967 1.770624 0.000000 7.524714 6.692875 7.810838 8.840000 6.196019 5.595702 4.073813 2.131641 2.761105 2.741113 4.326568 3.373021 5.718081 4.155702 3.989665 4.386279 6.627752 5.225463 4.501578 5.981121 6.005098 7.168549 7.410621 8.056485 8.657065 8.732111 8.914546 9.468633 5.564051 6.862970 6.587679 6.461083 7.950618 8.602325 8.597974 8.685574 9.564503 1.097351 1.786079 1.785612 0.000000 5.533551 6.499866 6.689515 7.700037 4.488785 5.225541 1.486856 3.700338 2.622668 3.029247 2.486564 3.628821 3.043893 5.013926 5.876614 5.452221 2.820001 3.848643 4.406747 4.191677 4.958768 4.193812 3.610341 5.093957 4.254955 4.149617 4.205215 5.323521 3.422653 7.677539 7.817208 7.763746 8.591052 5.655643 5.269640 5.401354 6.742731 5.136304 5.743699 5.703036 5.383300 0.000000 5.361044 6.521286 6.582718 7.553793 4.434303 5.303788 2.138101 4.270928 3.331714 3.793303 2.799811 4.017053 3.005634 5.219293 6.230544 5.469908 2.576294 3.335694 4.112971 3.572432 4.469858 3.342756 2.572837 4.278058 3.207552 3.249370 3.156535 4.268558 2.797373 7.765555 7.847811 8.003290 8.629925 5.334851 5.068159 4.881125 6.405179 5.708493 6.390684 6.102459 6.026525 1.101587 0.000000 5.355466 6.521356 6.565411 7.522696 4.460875 5.328602 2.150133 4.283509 3.325397 3.768395 2.830396 4.048614 3.061348 5.363784 6.164011 5.978778 2.606097 4.758180 5.357759 4.877358 5.561250 4.663362 4.106115 5.372239 4.460930 4.094989 4.423819 5.542524 4.407187 7.770885 8.060381 7.820190 8.620709 5.318823 4.741337 5.190636 6.367795 5.730080 6.171751 6.385235 6.033228 1.102463 1.777278 0.000000 6.623792 7.498286 7.756961 8.778598 5.546994 6.195199 2.128656 4.082670 2.777532 2.765958 3.381192 4.335889 4.116911 5.810142 6.593380 6.199731 3.907398 4.348357 4.801470 4.941738 5.770348 5.028551 4.291922 6.012736 4.914886 4.940091 4.651008 5.983634 3.735921 8.610590 8.700755 8.637948 9.560616 6.743723 6.327724 6.462896 7.827342 5.388753 6.065660 6.011291 5.413647 1.097334 1.788859 1.784998 0.000000 C14H23B2N4O2(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 277.7973999999999 AuxInfo=1/0/N:34,30,42,38,3,9,1,2,7,8,13,14,5,6,11,12;18,25,20,22,24,23/E:(1,3)(2,4)(5,6)(7,9)(8,10)(13,15)(14,16);/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.4;1.3,3.3,4.3,5.1/rA:45nC3C3C3HNNC3C3C3HNNBB4HHHC3HC3HC3OO1CHHHHCHHHCHHHCHHHCHHH/rB:;s1s2;s3;s1;s2s5;;;s7s8;s9;s7;s8s11;s5s11;s6s12;s14;s14;s13;;s18;s18;s20;s20;s22;s22;s23;s25;s25;s25;s18;s2;s30;s30;s30;s1;s34;s34;s34;s8;s38;s38;s38;s7;s42;s42;s42;/rC:-1.1151,-2.419,-.8286;-2.9304,-1.5528,.1419;-2.3819,-2.7387,-.3465;-2.8472,-3.7203,-.3466;-.9288,-1.086,-.6345;-2.036,-.5658,-.0467;.9601,2.1579,-1.101;-.8438,3.0525,-.1331;.3892,3.3661,-.6997;.8245,4.356,-.8056;.0765,1.1663,-.7984;-1.0116,1.7154,-.1981;.2154,-.261,-1.0104;-2.0691,.8663,.5639;-3.1781,1.3513,.405;-1.7702,.8075,1.759;1.1638,-.7254,-1.5665;1.7099,1.1922,1.9951;1.0525,1.9151,2.4831;1.327,-.0792,1.84;.3615,-.4337,2.2074;2.1369,-1.1286,1.1811;3.2677,-.6576,.6264;1.8364,-2.2988,1.1501;4.0604,-1.603,-.0649;3.5153,-2.0056,-.9327;4.9563,-1.0686,-.4012;4.3406,-2.4404,.59;2.6765,1.5443,1.6288;-4.2434,-1.3092,.8021;-4.1056,-.9202,1.8224;-4.8337,-.565,.247;-4.8153,-2.2439,.8572;-.0756,-3.2762,-1.4588;.1764,-2.9207,-2.4707;.8425,-3.2679,-.8521;-.4399,-4.3085,-1.5326;-1.8597,3.9395,.4993;-2.8346,3.8477,-.0025;-2.0135,3.674,1.5566;-1.5323,4.9855,.4445;2.2635,1.8646,-1.7537;2.8557,1.1695,-1.1375;2.1225,1.3944,-2.7408;2.833,2.7928,-1.8888; 0.3171994 0.2978039 0.1900065 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. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1130 1130 1130 1130 1130 MxSgAt= 45 MxSgA2= 45. 1 open 1 1 1 -966.110849326465 -966.232041356129 -0.121192029664 -966.606378299139 -0.374336943010 -966.607133261901 -0.000754962762 -966.607227390085 -0.000094128183 -966.607260232967 -0.000032842882 -966.607261709286 -0.000001476319 -966.607262271895 -0.000000562609 -966.607262514036 -0.000000242141 -966.607262690655 -0.000000176620 -966.607262763587 -0.000000072932 -966.607262783126 -0.000000019539 -966.607262790096 -0.000000006970 -966.607262791837 -0.000000001740 -966.607262792463 -0.000000000627 -966.607262792611 -0.000000000148 -966.607262792659 -0.000000000047 -966.607262792711 -0.000000000053 -966.607262793 18 0.7703 9.614190514159e+02 -6.048727065535e+03 2.221260830117e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1570254016 LenY= 1568960110 Requested convergence on RMS density matrix=1.00D-08 within 32 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. 0.7703 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 C C C H N N C C C H N N B B H H H C H C H C O O C H H H H C H H H C H H H C H H H C H H H 13 13 13 1 14 14 13 13 13 1 14 14 11 11 1 1 1 13 1 13 1 13 17 17 13 1 1 1 1 13 1 1 1 13 1 1 1 13 1 1 1 13 1 1 1 0.01106 0.00520 -0.00846 0.00022 -0.03571 0.00359 0.01355 0.00614 -0.01003 0.00020 -0.04042 0.00625 0.01638 -0.00171 0.00165 0.00396 -0.00885 0.00464 -0.00109 0.00312 0.00058 0.00157 0.00352 0.00522 0.00015 0.00003 -0.00000 0.00001 -0.00108 -0.00388 0.00277 0.00293 0.00006 -0.00462 0.00255 0.00271 0.00011 -0.00488 0.00358 0.00343 0.00008 -0.00617 0.00328 0.00351 0.00014 12.43830 5.84717 -9.50524 0.98121 -11.53774 1.16076 15.23421 6.90217 -11.28084 0.89317 -13.05962 2.01891 23.48780 -2.44727 7.37921 17.68742 -39.53868 5.21698 -4.89062 3.50287 2.61115 1.76131 -2.13287 -3.16512 0.16674 0.13373 -0.00227 0.04745 -4.83024 -4.36136 12.37783 13.11833 0.28537 -5.19926 11.38490 12.10817 0.47613 -5.49132 16.02016 15.31563 0.34662 -6.93994 14.68040 15.71081 0.60638 4.43829 2.08641 -3.39171 0.35012 -4.11695 0.41419 5.43594 2.46287 -4.02528 0.31871 -4.66000 0.72040 8.38103 -0.87325 2.63308 6.31131 -14.10839 1.86155 -1.74510 1.24991 0.93172 0.62848 -0.76106 -1.12940 0.05950 0.04772 -0.00081 0.01693 -1.72355 -1.55624 4.41672 4.68095 0.10183 -1.85523 4.06242 4.32049 0.16990 -1.95944 5.71639 5.46500 0.12368 -2.47634 5.23833 5.60601 0.21637 4.14897 1.95041 -3.17061 0.32730 -3.84858 0.38719 5.08158 2.30232 -3.76288 0.29793 -4.35622 0.67344 7.83469 -0.81632 2.46144 5.89989 -13.18869 1.74020 -1.63134 1.16843 0.87099 0.58751 -0.71145 -1.05577 0.05562 0.04461 -0.00076 0.01583 -1.61120 -1.45479 4.12880 4.37581 0.09519 -1.73429 3.79759 4.03885 0.15882 -1.83171 5.34375 5.10874 0.11562 -2.31491 4.89685 5.24056 0.20227 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 -0.053606 -0.032482 0.007197 -0.000069 0.037235 -0.017090 -0.050808 -0.032859 0.004772 0.000574 0.037737 -0.026759 -0.067529 0.001369 0.001706 -0.000177 0.007910 -0.018286 -0.001786 0.002966 -0.002640 -0.002726 0.001280 -0.036413 0.002020 0.001936 0.001628 0.001142 0.004093 0.001426 0.000717 0.002349 0.002299 -0.000790 -0.001908 -0.000480 -0.001843 0.000797 0.002174 -0.000076 -0.001115 0.001829 0.004535 0.000878 0.002312 -0.082872 -0.061878 0.010679 0.001715 0.070139 -0.039986 -0.113203 -0.081462 0.012485 0.001322 0.086050 -0.059332 -0.146580 0.000969 0.000312 -0.000422 -0.018812 -0.036469 -0.001992 0.017905 -0.001150 0.000024 -0.009724 -0.044843 -0.000491 -0.000387 -0.000707 -0.000282 -0.005392 -0.001421 -0.001059 -0.000665 -0.001398 0.003259 0.002642 0.003422 0.003230 -0.000464 -0.000168 -0.000321 0.002413 0.000019 -0.001360 -0.000933 -0.001229 0.136478 0.094360 -0.017876 -0.001646 -0.107374 0.057076 0.164011 0.114320 -0.017258 -0.001895 -0.123787 0.086091 0.214109 -0.002338 -0.002018 0.000599 0.010901 0.054755 0.003778 -0.020870 0.003791 0.002701 0.008444 0.081257 -0.001529 -0.001549 -0.000921 -0.000860 0.001299 -0.000005 0.000342 -0.001684 -0.000901 -0.002469 -0.000734 -0.002942 -0.001387 -0.000332 -0.002006 0.000397 -0.001298 -0.001848 -0.003175 0.000055 -0.001083 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 -0.022916 -0.014952 0.003319 0.000465 0.016648 -0.005554 -0.014626 -0.013842 0.000296 0.001222 0.013628 -0.011414 -0.024095 0.000407 -0.000214 0.000112 -0.016121 -0.014678 -0.004591 0.002596 -0.000430 0.000321 -0.006166 -0.008545 -0.001368 -0.001947 -0.000638 -0.001074 0.002666 -0.000575 -0.000173 -0.001025 0.001160 -0.000310 -0.000579 -0.002198 -0.000856 -0.001932 -0.002041 -0.001308 -0.002187 0.001766 0.001270 0.001480 0.002401 0.099221 0.072472 -0.014018 -0.000798 -0.088221 0.040067 0.136950 0.100342 -0.015087 -0.001424 -0.107977 0.071554 0.174023 -0.003092 -0.001199 -0.002135 -0.004383 0.050430 -0.000296 -0.014382 0.000644 0.001211 0.015117 0.042837 0.000127 -0.000556 -0.000021 0.000422 0.001068 -0.000937 -0.002110 -0.000696 -0.001453 0.000046 -0.001556 -0.000102 -0.000192 -0.000860 -0.000644 -0.002195 -0.000532 -0.001953 -0.001645 -0.004087 -0.002043 -0.056891 -0.032485 0.005989 0.000745 0.037539 -0.013634 -0.027809 -0.023683 0.002292 -0.000598 0.030071 -0.015710 -0.046972 0.000666 0.000307 0.000643 0.005445 -0.027460 0.003211 0.005293 0.000210 0.001752 -0.007345 -0.023233 -0.000164 0.000255 -0.000009 -0.000251 -0.001889 0.000038 0.000658 0.000061 -0.000501 0.001291 0.003191 0.000559 0.001580 0.000924 0.000456 0.001480 0.001533 -0.001053 -0.000135 -0.000758 -0.001183 -0.506 0.764 0.4003 0.7731 0.6075 -0.1821 0.3823 -0.2174 0.8981 -0.0975 -0.095 0.1925 -13.084 -12.746 25.83 -4.669 -4.548 9.217 -4.364 -4.252 8.616 1 C 13 0.1306 0.9818 0.1378 0.9042 -0.0609 -0.4227 0.4066 -0.1798 0.8957 -0.0684 -0.0654 0.1338 -9.182 -8.77 17.952 -3.276 -3.129 6.406 -3.063 -2.925 5.988 2 C 13 0.4037 -0.1857 0.8958 -0.2208 0.9305 0.2924 0.8878 0.3158 -0.3347 -0.0254 0.0118 0.0137 -3.413 1.58 1.833 -1.218 0.564 0.654 -1.138 0.527 0.612 3 C 13 0.3878 -0.2181 0.8956 0.9077 -0.0787 -0.4122 0.1604 0.9728 0.1674 -0.0022 3.0E-4 0.0019 -1.159 0.135 1.024 -0.414 0.048 0.366 -0.387 0.045 0.342 4 H 1 0.4203 -0.1782 0.8897 0.4818 0.8747 -0.0524 0.7689 -0.4507 -0.4535 -0.1566 0.0771 0.0795 -6.039 2.972 3.067 -2.155 1.06 1.094 -2.014 0.991 1.023 5 N 14 0.0039 0.9908 0.135 0.9178 0.0501 -0.3938 0.3969 -0.1254 0.9092 -0.0419 -0.0346 0.0764 -1.615 -1.334 2.948 -0.576 -0.476 1.052 -0.539 -0.445 0.983 6 N 14 0.8173 0.4562 -0.352 -0.3767 0.8853 0.2726 0.436 -0.0902 0.8954 -0.1179 -0.1155 0.2335 -15.828 -15.505 31.332 -5.648 -5.532 11.18 -5.28 -5.172 10.451 7 C 13 0.5929 0.7787 -0.2052 0.6678 -0.6179 -0.415 0.4499 -0.109 0.8864 -0.0858 -0.0824 0.1682 -11.508 -11.058 22.567 -4.106 -3.946 8.052 -3.839 -3.689 7.527 8 C 13 0.4511 -0.0579 0.8906 0.6826 0.6653 -0.3025 -0.5749 0.7444 0.3397 -0.025 0.0117 0.0133 -3.361 1.576 1.785 -1.199 0.562 0.637 -1.121 0.526 0.595 9 C 13 0.4117 0.0109 0.9112 -0.6591 0.6941 0.2895 0.6294 0.7198 -0.293 -0.0025 -1.0E-4 0.0026 -1.359 -0.047 1.405 -0.485 -0.017 0.501 -0.453 -0.016 0.469 10 H 1 0.4439 -0.1222 0.8877 0.4694 0.8756 -0.1142 0.7633 -0.4674 -0.446 -0.1819 0.0894 0.0925 -7.016 3.449 3.567 -2.504 1.231 1.273 -2.34 1.151 1.19 11 N 14 0.6732 0.6971 -0.2467 -0.5974 0.7094 0.374 0.4357 -0.1044 0.894 -0.0648 -0.058 0.1228 -2.499 -2.237 4.736 -0.892 -0.798 1.69 -0.834 -0.746 1.58 12 N 14 0.4536 0.8854 -0.1016 0.7817 -0.45 -0.4319 0.4281 -0.1165 0.8962 -0.1535 -0.1498 0.3033 -26.287 -25.649 51.936 -9.38 -9.152 18.532 -8.769 -8.556 17.324 13 B 11 0.4879 -0.1491 0.8601 0.0625 0.9887 0.1359 0.8707 0.0126 -0.4917 -0.0042 0.0011 0.0031 -0.72 0.186 0.534 -0.257 0.066 0.191 -0.24 0.062 0.178 14 B 11 0.2756 -0.0869 0.9573 0.1797 0.983 0.0375 0.9443 -0.1617 -0.2865 -0.0024 3.0E-4 0.0021 -1.276 0.152 1.124 -0.455 0.054 0.401 -0.426 0.051 0.375 15 H 1 0.7171 -0.2895 0.634 0.317 0.9456 0.0732 -0.6207 0.1484 0.7699 -0.0021 -3.0E-4 0.0024 -1.126 -0.179 1.304 -0.402 -0.064 0.465 -0.375 -0.06 0.435 16 H 1 0.4126 0.9071 -0.0834 0.5567 -0.1786 0.8113 0.721 -0.3812 -0.5786 -0.0266 0.0067 0.0199 -14.217 3.572 10.644 -5.073 1.275 3.798 -4.742 1.192 3.551 17 H 1 0.6548 0.7452 -0.1263 -0.613 0.6214 0.488 0.4421 -0.2421 0.8637 -0.0447 -0.0436 0.0883 -6.0 -5.845 11.845 -2.141 -2.086 4.227 -2.001 -1.95 3.951 18 C 13 0.6465 0.7354 -0.2029 0.6865 -0.4448 0.5752 -0.3327 0.5112 0.7925 -0.0069 9.0E-4 0.006 -3.689 0.502 3.187 -1.316 0.179 1.137 -1.231 0.167 1.063 19 H 1 0.4223 -0.1263 0.8976 0.9042 -0.0107 -0.4269 0.0636 0.9919 0.1097 -0.0284 0.0097 0.0187 -3.808 1.305 2.504 -1.359 0.466 0.893 -1.27 0.435 0.835 20 C 13 0.9603 0.2596 -0.1017 -0.2616 0.9651 -0.0071 0.0963 0.0334 0.9948 -0.0028 -0.001 0.0039 -1.507 -0.552 2.06 -0.538 -0.197 0.735 -0.503 -0.184 0.687 21 H 1 0.9765 0.0206 -0.2143 -0.1097 0.9042 -0.4128 0.1853 0.4266 0.8853 -0.003 -8.0E-4 0.0038 -0.401 -0.109 0.51 -0.143 -0.039 0.182 -0.134 -0.036 0.17 22 C 13 0.2828 0.9505 0.1289 0.7505 -0.1356 -0.6468 0.5973 -0.2797 0.7517 -0.0126 -0.0106 0.0232 0.908 0.77 -1.678 0.324 0.275 -0.599 0.303 0.257 -0.56 23 O 17 0.866 0.4583 -0.2002 -0.3955 0.8726 0.2866 0.3061 -0.169 0.9369 -0.0508 -0.0486 0.0994 3.679 3.517 -7.195 1.313 1.255 -2.568 1.227 1.173 -2.4 24 O 17 0.0445 0.207 0.9773 0.403 0.8915 -0.2071 0.9141 -0.4031 0.0437 -0.0016 -0.0011 0.0026 -0.209 -0.144 0.353 -0.075 -0.051 0.126 -0.07 -0.048 0.118 25 C 13 0.2653 0.2203 0.9387 0.4298 0.8444 -0.3197 0.863 -0.4883 -0.1293 -0.0016 -0.0015 0.0031 -0.879 -0.787 1.665 -0.313 -0.281 0.594 -0.293 -0.262 0.555 26 H 1 0.0674 0.2384 0.9688 0.2381 0.9391 -0.2476 0.9689 -0.2474 -0.0065 -9.0E-4 -9.0E-4 0.0018 -0.493 -0.462 0.956 -0.176 -0.165 0.341 -0.165 -0.154 0.319 27 H 1 -0.0526 0.2746 0.9601 0.4975 0.8408 -0.2132 0.8658 -0.4665 0.1809 -0.001 -9.0E-4 0.0018 -0.51 -0.456 0.965 -0.182 -0.163 0.344 -0.17 -0.152 0.322 28 H 1 -0.2568 0.9319 0.2561 -0.1039 -0.2901 0.9513 0.9609 0.2177 0.1714 -0.0066 0.0018 0.0049 -3.546 0.938 2.608 -1.265 0.335 0.93 -1.183 0.313 0.87 29 H 1 0.2222 0.9687 0.1108 0.3946 -0.1932 0.8983 0.8916 -0.1559 -0.4252 -0.0015 -4.0E-4 0.002 -0.208 -0.057 0.265 -0.074 -0.02 0.094 -0.069 -0.019 0.088 30 C 13 0.5427 -0.4853 0.6856 0.4315 0.8614 0.2682 0.7206 -0.1503 -0.6768 -0.0018 -9.0E-4 0.0027 -0.957 -0.502 1.459 -0.342 -0.179 0.521 -0.319 -0.167 0.487 31 H 1 0.1922 0.1197 0.974 0.2594 0.951 -0.1681 0.9464 -0.285 -0.1517 -0.0018 -0.001 0.0028 -0.968 -0.51 1.478 -0.345 -0.182 0.527 -0.323 -0.17 0.493 32 H 1 -0.1848 0.9518 0.2447 0.3981 -0.1552 0.9041 0.8985 0.2645 -0.3502 -0.0018 -0.0015 0.0032 -0.935 -0.776 1.711 -0.334 -0.277 0.611 -0.312 -0.259 0.571 33 H 1 -0.0565 -0.2124 0.9755 0.9961 0.054 0.0695 -0.0675 0.9757 0.2085 -0.0028 -8.0E-4 0.0036 -0.369 -0.108 0.477 -0.132 -0.038 0.17 -0.123 -0.036 0.159 34 C 13 0.6086 -0.3218 0.7253 0.7695 0.4622 -0.4406 -0.1935 0.8263 0.529 -0.0035 -0.0014 0.0048 -1.844 -0.728 2.572 -0.658 -0.26 0.918 -0.615 -0.243 0.858 35 H 1 -0.0502 -0.1038 0.9933 0.9119 0.4009 0.088 -0.4074 0.9102 0.0745 -0.003 -0.0015 0.0045 -1.598 -0.777 2.375 -0.57 -0.277 0.847 -0.533 -0.259 0.792 36 H 1 0.8834 0.2615 -0.389 0.4434 -0.1975 0.8743 -0.1518 0.9448 0.2904 -0.002 -0.0018 0.0039 -1.073 -0.982 2.056 -0.383 -0.351 0.734 -0.358 -0.328 0.686 37 H 1 0.5269 0.8269 -0.1964 0.4232 -0.0548 0.9044 0.7371 -0.5596 -0.3788 -0.0019 -8.0E-4 0.0027 -0.257 -0.106 0.363 -0.092 -0.038 0.13 -0.086 -0.035 0.121 38 C 13 0.0769 -0.1493 0.9858 0.5121 0.8543 0.0895 0.8555 -0.4979 -0.1421 -0.0021 -0.0013 0.0035 -1.134 -0.717 1.851 -0.405 -0.256 0.66 -0.378 -0.239 0.617 39 H 1 0.7384 -0.0183 0.6742 0.3274 0.8837 -0.3345 -0.5896 0.4677 0.6585 -0.002 -0.0014 0.0034 -1.092 -0.728 1.821 -0.39 -0.26 0.65 -0.364 -0.243 0.607 40 H 1 0.795 0.4918 -0.3551 0.4519 -0.0899 0.8875 -0.4046 0.8661 0.2937 -0.0022 -0.0017 0.004 -1.19 -0.92 2.11 -0.425 -0.328 0.753 -0.397 -0.307 0.704 41 H 1 0.3464 0.1333 0.9286 -0.4923 0.8685 0.059 0.7986 0.4775 -0.3664 -0.0027 -0.0011 0.0038 -0.366 -0.141 0.507 -0.131 -0.05 0.181 -0.122 -0.047 0.169 42 C 13 0.2091 -0.062 0.9759 -0.1759 0.9793 0.0999 0.9619 0.1926 -0.1939 -0.0035 -0.0016 0.0051 -1.878 -0.855 2.732 -0.67 -0.305 0.975 -0.626 -0.285 0.911 43 H 1 0.6851 -0.1716 0.708 -0.0759 0.9498 0.3036 0.7245 0.2617 -0.6376 -0.0037 -0.0013 0.005 -1.983 -0.69 2.673 -0.707 -0.246 0.954 -0.661 -0.23 0.892 44 H 1 PT21930.600S 2024-12-19T14:19:37.000 -19.29206 -19.22550 -14.50739 -14.50598 -14.49071 -14.48769 -10.40782 -10.33648 -10.33085 -10.32995 -10.32816 -10.32792 -10.29240 -10.29150 -10.29071 -10.29042 -10.29030 -10.28514 -10.28036 -10.27989 -6.84420 -6.82438 -1.20866 -1.17158 -1.15445 -1.11376 -0.95660 -0.94578 -0.91748 -0.89513 -0.89012 -0.82333 -0.81787 -0.81575 -0.81313 -0.80839 -0.72367 -0.71580 -0.68653 -0.68337 -0.67111 -0.65217 -0.65111 -0.62147 -0.59373 -0.58679 -0.57609 -0.56917 -0.56411 -0.55809 -0.53311 -0.52477 -0.52152 -0.51861 -0.51390 -0.51212 -0.51025 -0.50676 -0.50394 -0.49240 -0.49031 -0.48553 -0.48266 -0.48111 -0.47840 -0.47273 -0.46077 -0.45213 -0.44151 -0.43987 -0.43862 -0.42763 -0.40604 -0.38677 -0.37461 -0.35979 -0.35631 -0.34024 -0.33511 -0.30931 -0.17073 0.02325 0.04372 0.09807 0.10883 0.11610 0.12222 0.12468 0.12906 0.13083 0.14152 0.14680 0.15134 0.15290 0.15616 0.16219 0.16361 0.16614 0.17276 0.17401 0.18342 0.18817 0.19526 0.20121 0.20359 0.20562 0.21075 0.21574 0.21917 0.22023 0.22198 0.22541 0.22963 0.23203 0.23592 0.24189 0.24844 0.25001 0.25642 0.26534 0.26725 0.27486 0.27672 0.27994 0.28413 0.29080 0.29826 0.30106 0.30418 0.30966 0.31260 0.31532 0.32081 0.32465 0.32998 0.33194 0.34233 0.34588 0.35030 0.35847 0.36568 0.37077 0.37710 0.37806 0.38376 0.38887 0.39181 0.39899 0.40039 0.40357 0.40725 0.41260 0.41583 0.42579 0.42816 0.43570 0.43705 0.43914 0.44532 0.44636 0.45230 0.45610 0.46007 0.46489 0.46671 0.46930 0.47420 0.47649 0.48206 0.48409 0.48751 0.50164 0.50309 0.50790 0.51178 0.51255 0.51977 0.52184 0.52384 0.52705 0.52914 0.53476 0.53669 0.53966 0.54590 0.54849 0.55010 0.55394 0.56169 0.56495 0.56816 0.57505 0.57818 0.58326 0.58480 0.58604 0.59183 0.59696 0.60134 0.60492 0.60840 0.61635 0.61749 0.62133 0.62607 0.63069 0.63216 0.63482 0.64443 0.65086 0.65568 0.66607 0.67011 0.67446 0.67731 0.68109 0.69260 0.69873 0.70068 0.70614 0.70862 0.71420 0.72025 0.72890 0.73231 0.73870 0.74317 0.74876 0.75967 0.76865 0.77530 0.77684 0.78026 0.78511 0.79091 0.79750 0.80415 0.80697 0.81330 0.82628 0.83633 0.83762 0.84594 0.85032 0.85666 0.85703 0.86414 0.86653 0.87748 0.88892 0.89426 0.90120 0.90539 0.91409 0.91517 0.92051 0.92560 0.92834 0.93462 0.94475 0.94848 0.95570 0.96150 0.96357 0.97124 0.98097 0.98512 0.99068 0.99898 1.00398 1.00806 1.01239 1.02776 1.02857 1.03039 1.03517 1.03823 1.04422 1.04655 1.05203 1.05346 1.05633 1.05838 1.06894 1.07062 1.07699 1.08060 1.08112 1.08775 1.09284 1.09605 1.10820 1.11073 1.11262 1.11711 1.12085 1.13231 1.13350 1.14756 1.15115 1.15757 1.16287 1.16713 1.16876 1.17923 1.18374 1.19033 1.19539 1.20247 1.20990 1.22406 1.22780 1.23193 1.23780 1.24362 1.24521 1.25630 1.26103 1.26429 1.26741 1.27566 1.28036 1.29179 1.29373 1.29459 1.30143 1.30951 1.31134 1.31447 1.32400 1.33027 1.33091 1.33857 1.34039 1.34322 1.34552 1.35823 1.36838 1.37172 1.38003 1.38366 1.39037 1.39188 1.39415 1.40495 1.40693 1.41140 1.41703 1.42637 1.44134 1.44724 1.45199 1.45666 1.46127 1.46230 1.47031 1.47933 1.48288 1.48807 1.49600 1.49972 1.50795 1.51151 1.51848 1.52033 1.52524 1.53027 1.53334 1.53817 1.54683 1.54829 1.55115 1.55427 1.55766 1.55982 1.56726 1.57250 1.57846 1.58473 1.58672 1.59279 1.59493 1.59706 1.60214 1.60715 1.61830 1.62783 1.63402 1.64543 1.65180 1.65311 1.65590 1.65963 1.66728 1.67388 1.67789 1.68032 1.68620 1.69984 1.70720 1.70787 1.71782 1.72279 1.73667 1.73882 1.74684 1.75399 1.76075 1.76231 1.76995 1.77622 1.78404 1.79086 1.80297 1.80900 1.82693 1.83498 1.84672 1.85272 1.86181 1.86912 1.87303 1.87402 1.88467 1.89633 1.90907 1.91175 1.92262 1.92323 1.93474 1.94108 1.95568 1.96734 1.97713 1.99253 1.99617 2.01379 2.03102 2.03892 2.04943 2.05073 2.05916 2.06928 2.08676 2.09468 2.10997 2.11303 2.12504 2.13320 2.14031 2.14614 2.15716 2.17414 2.17750 2.18826 2.19060 2.20640 2.21025 2.22308 2.23885 2.24418 2.25248 2.26074 2.26272 2.26750 2.27948 2.28241 2.29389 2.31945 2.32075 2.33152 2.34022 2.34854 2.35223 2.36386 2.37465 2.38115 2.39330 2.40190 2.41853 2.44004 2.44373 2.45113 2.45833 2.46331 2.46998 2.47778 2.48542 2.49561 2.50453 2.51296 2.52459 2.52862 2.53069 2.53478 2.54191 2.56165 2.56937 2.58591 2.59255 2.59792 2.60340 2.61008 2.61547 2.63698 2.63976 2.64372 2.65499 2.65738 2.66080 2.67086 2.68452 2.69851 2.71291 2.72307 2.73582 2.74394 2.74807 2.75103 2.75285 2.76679 2.76908 2.78223 2.78899 2.79320 2.79783 2.81416 2.82029 2.82240 2.83080 2.83362 2.84288 2.84784 2.85272 2.86256 2.86811 2.87625 2.88096 2.88381 2.88934 2.89876 2.90261 2.90706 2.90921 2.91656 2.92302 2.93483 2.93848 2.94453 2.94873 2.95642 2.96530 2.96984 2.98005 2.98137 2.98814 2.99091 2.99635 3.00479 3.00836 3.01605 3.02928 3.03635 3.04121 3.04495 3.05239 3.05899 3.06399 3.07016 3.07735 3.08262 3.08945 3.09045 3.09479 3.10281 3.10851 3.11300 3.11744 3.12248 3.12825 3.13016 3.13460 3.14346 3.14585 3.15029 3.15487 3.16113 3.17944 3.18413 3.18833 3.19163 3.20263 3.20631 3.21701 3.22073 3.22975 3.23741 3.24269 3.24568 3.25036 3.25793 3.26759 3.27526 3.27937 3.28140 3.29188 3.29849 3.30185 3.30983 3.31222 3.31479 3.32244 3.33267 3.34674 3.35265 3.35862 3.36181 3.36348 3.36899 3.37453 3.37888 3.38330 3.38742 3.39558 3.40165 3.41243 3.41420 3.42335 3.42723 3.43224 3.43555 3.44032 3.44491 3.44759 3.45512 3.45623 3.46712 3.47379 3.47911 3.49093 3.49472 3.50096 3.50807 3.51264 3.51426 3.51915 3.52652 3.53127 3.53937 3.54751 3.55265 3.55793 3.56362 3.56687 3.57365 3.57746 3.58370 3.59074 3.59751 3.60117 3.60447 3.61322 3.61424 3.62132 3.62443 3.62883 3.63666 3.64437 3.64748 3.65071 3.65798 3.66200 3.67544 3.67636 3.67860 3.68265 3.68551 3.68618 3.69775 3.71393 3.72375 3.72529 3.73480 3.73859 3.75631 3.76394 3.76573 3.77611 3.78894 3.79926 3.80236 3.81860 3.82573 3.83191 3.84245 3.84831 3.85168 3.86056 3.86854 3.87573 3.88217 3.88737 3.89412 3.90618 3.91375 3.93088 3.93326 3.94177 3.95462 3.95763 3.96859 3.97240 3.97620 3.98638 3.99204 3.99425 4.00156 4.00957 4.01140 4.01449 4.01730 4.02023 4.02704 4.02869 4.03811 4.04785 4.05362 4.05507 4.05727 4.06548 4.07408 4.07773 4.08900 4.09663 4.10009 4.11102 4.11265 4.12018 4.13103 4.13721 4.13823 4.14133 4.14775 4.15246 4.15280 4.15483 4.15638 4.16233 4.16411 4.16827 4.17136 4.17830 4.19425 4.19844 4.20003 4.20475 4.20992 4.21805 4.22387 4.23193 4.23652 4.23781 4.25161 4.25581 4.26338 4.27257 4.27729 4.27863 4.28868 4.29495 4.30552 4.31190 4.31409 4.32076 4.32534 4.33012 4.33395 4.34287 4.34486 4.35373 4.36426 4.37070 4.37229 4.39232 4.40222 4.41194 4.42449 4.42918 4.45131 4.45378 4.45825 4.46605 4.47233 4.48398 4.48726 4.50004 4.52111 4.53194 4.53750 4.54251 4.54581 4.55386 4.56422 4.57856 4.58813 4.59279 4.60550 4.61900 4.62776 4.63116 4.63687 4.64447 4.64511 4.65072 4.65482 4.66638 4.67818 4.68385 4.68505 4.72563 4.73712 4.74633 4.75005 4.76044 4.77048 4.77423 4.78192 4.78525 4.79267 4.79973 4.80484 4.81131 4.81409 4.82409 4.83687 4.84832 4.85700 4.86745 4.87739 4.89021 4.90001 4.90813 4.92408 4.93842 4.94407 4.95056 4.97140 4.97898 4.99739 5.01178 5.01681 5.03128 5.04120 5.05417 5.05770 5.06111 5.07947 5.08086 5.09098 5.10345 5.10914 5.11133 5.12699 5.13701 5.13965 5.14488 5.16784 5.17023 5.17162 5.17960 5.18789 5.20223 5.21655 5.22713 5.23299 5.24116 5.24829 5.25736 5.26379 5.27325 5.27614 5.27935 5.28092 5.28844 5.29138 5.29446 5.30280 5.31111 5.31544 5.32304 5.33311 5.34135 5.34562 5.34984 5.35257 5.35694 5.36397 5.37262 5.39101 5.39344 5.40523 5.41015 5.41446 5.43482 5.44291 5.46482 5.46692 5.46936 5.48624 5.49360 5.50533 5.50741 5.50991 5.51591 5.52365 5.52541 5.54351 5.55487 5.55745 5.56446 5.58227 5.59569 5.60534 5.61968 5.62645 5.65221 5.66089 5.67847 5.68725 5.69077 5.69723 5.70812 5.71970 5.72231 5.72511 5.73480 5.73779 5.73995 5.75307 5.75531 5.76256 5.77732 5.78183 5.79956 5.80531 5.81311 5.82681 5.83384 5.89145 5.90454 5.91448 5.93493 6.01015 6.02590 6.08345 6.09097 6.09714 6.16033 6.23727 6.28821 6.31748 6.32762 6.35115 6.40738 6.46908 6.51155 6.52570 6.57678 6.58524 6.70266 6.71519 6.84932 6.87084 6.96756 7.06101 7.09974 7.19991 7.30207 7.32218 7.35569 7.53377 7.61017 16.12555 16.45043 23.04057 23.07998 23.22536 23.46873 23.58483 23.58863 23.60865 23.61156 23.67689 23.71901 23.72497 23.74624 23.76393 23.81712 32.89337 32.94428 33.12654 33.31187 44.14959 44.48432 -19.29193 -19.22493 -14.50909 -14.50794 -14.49011 -14.48673 -10.40783 -10.33648 -10.32950 -10.32790 -10.32647 -10.32545 -10.29237 -10.29097 -10.29090 -10.29053 -10.29044 -10.28529 -10.28081 -10.28030 -6.84054 -6.82445 -1.20827 -1.17094 -1.15395 -1.11282 -0.95418 -0.94371 -0.91442 -0.89279 -0.88944 -0.82159 -0.81711 -0.81521 -0.81300 -0.80776 -0.72208 -0.71427 -0.68293 -0.68006 -0.66905 -0.65110 -0.64826 -0.62080 -0.59341 -0.58348 -0.57431 -0.56616 -0.56279 -0.55479 -0.52994 -0.52414 -0.52076 -0.51675 -0.51318 -0.51012 -0.50724 -0.50547 -0.50255 -0.49174 -0.48869 -0.48463 -0.48208 -0.48037 -0.47818 -0.47198 -0.45846 -0.45166 -0.44087 -0.43880 -0.43558 -0.42623 -0.40294 -0.38500 -0.36322 -0.35834 -0.35098 -0.33573 -0.32908 -0.30149 0.01023 0.03724 0.06539 0.10337 0.11281 0.11817 0.12380 0.13064 0.13125 0.13404 0.14226 0.14794 0.15172 0.15625 0.15771 0.16312 0.16437 0.16729 0.17418 0.18036 0.18429 0.18836 0.19586 0.20115 0.20457 0.20605 0.21091 0.21588 0.21972 0.22080 0.22289 0.22679 0.23008 0.23301 0.23662 0.24318 0.24960 0.25070 0.25755 0.26782 0.26824 0.27503 0.27755 0.28088 0.28530 0.29143 0.29900 0.30224 0.30460 0.30989 0.31327 0.31613 0.32170 0.32571 0.33097 0.33319 0.34301 0.34606 0.35190 0.35984 0.36682 0.37124 0.37807 0.38050 0.38443 0.38989 0.39235 0.39979 0.40224 0.40651 0.41042 0.41431 0.41691 0.42702 0.42888 0.43681 0.43774 0.44067 0.44655 0.44798 0.45384 0.45699 0.46071 0.46602 0.46806 0.47021 0.47533 0.47756 0.48344 0.48494 0.48791 0.50372 0.50453 0.50898 0.51261 0.51320 0.52050 0.52251 0.52439 0.52814 0.52983 0.53695 0.53770 0.54032 0.54625 0.54901 0.55063 0.55469 0.56222 0.56578 0.56887 0.57592 0.57901 0.58369 0.58523 0.58676 0.59313 0.59738 0.60154 0.60579 0.60913 0.61687 0.61831 0.62178 0.62687 0.63137 0.63352 0.63618 0.64546 0.65131 0.65588 0.66673 0.67100 0.67492 0.67876 0.68224 0.69354 0.69944 0.70155 0.70733 0.71014 0.71467 0.72158 0.72987 0.73324 0.73980 0.74444 0.74938 0.76059 0.76980 0.77630 0.77751 0.78099 0.78707 0.79251 0.79947 0.80529 0.80857 0.81427 0.82740 0.83704 0.83894 0.84664 0.85146 0.85714 0.85774 0.86482 0.86792 0.87812 0.88934 0.89475 0.90164 0.90613 0.91483 0.91538 0.92261 0.92603 0.92872 0.93510 0.94526 0.94880 0.95666 0.96221 0.96414 0.97217 0.98168 0.98559 0.99205 1.00037 1.00443 1.00876 1.01309 1.02830 1.02967 1.03097 1.03589 1.03869 1.04481 1.04703 1.05279 1.05461 1.05704 1.05915 1.06947 1.07129 1.07777 1.08203 1.08229 1.08881 1.09370 1.09644 1.10914 1.11200 1.11392 1.11853 1.12192 1.13350 1.13428 1.14805 1.15184 1.15838 1.16379 1.16773 1.16949 1.18106 1.18434 1.19107 1.19631 1.20316 1.21053 1.22523 1.22829 1.23278 1.23870 1.24448 1.24600 1.25696 1.26184 1.26550 1.26873 1.27653 1.28206 1.29249 1.29510 1.29654 1.30283 1.31061 1.31242 1.31518 1.32476 1.33128 1.33175 1.33943 1.34152 1.34394 1.34646 1.35897 1.36907 1.37246 1.38055 1.38455 1.39185 1.39329 1.39562 1.40694 1.40845 1.41329 1.41773 1.42797 1.44208 1.44873 1.45333 1.45925 1.46276 1.46404 1.47241 1.48025 1.48355 1.48925 1.49640 1.50113 1.50919 1.51372 1.51949 1.52098 1.52598 1.53072 1.53425 1.53869 1.54755 1.54926 1.55198 1.55556 1.55858 1.56062 1.56797 1.57336 1.57969 1.58585 1.58792 1.59384 1.59577 1.59773 1.60315 1.60788 1.62098 1.62920 1.63499 1.64692 1.65282 1.65489 1.65734 1.66087 1.66797 1.67451 1.67982 1.68132 1.68698 1.70092 1.70855 1.70890 1.71962 1.72398 1.73855 1.74085 1.75034 1.75599 1.76186 1.76365 1.77190 1.77774 1.78576 1.79217 1.80511 1.81021 1.82840 1.83657 1.84786 1.85467 1.86261 1.87158 1.87366 1.87593 1.88770 1.89850 1.91103 1.91583 1.92408 1.92473 1.93746 1.94423 1.95668 1.96907 1.97937 1.99427 1.99811 2.01524 2.03615 2.04132 2.05248 2.05339 2.06204 2.07093 2.08929 2.09818 2.11132 2.11581 2.12682 2.13563 2.14224 2.14885 2.16090 2.17713 2.17979 2.19048 2.19276 2.20871 2.21279 2.22468 2.24458 2.24876 2.25484 2.26397 2.27034 2.27205 2.28415 2.28549 2.29717 2.32362 2.32614 2.33804 2.34494 2.35048 2.35485 2.36644 2.37748 2.38804 2.39654 2.41022 2.42146 2.44230 2.44625 2.45252 2.46017 2.46622 2.47180 2.47991 2.48696 2.49785 2.50547 2.51514 2.52737 2.53046 2.53290 2.53744 2.54491 2.56396 2.57245 2.58760 2.59409 2.59960 2.60680 2.61246 2.61823 2.63822 2.64080 2.64437 2.65666 2.65905 2.66506 2.67308 2.68712 2.69972 2.71403 2.72458 2.73768 2.74454 2.75049 2.75235 2.75479 2.76736 2.77064 2.78333 2.79006 2.79418 2.79953 2.81572 2.82138 2.82457 2.83239 2.83461 2.84392 2.84868 2.85429 2.86397 2.86921 2.87688 2.88192 2.88508 2.88987 2.89947 2.90354 2.90824 2.91048 2.91771 2.92432 2.93692 2.94002 2.94645 2.95043 2.95821 2.96681 2.97115 2.98108 2.98292 2.98971 2.99178 2.99734 3.00589 3.00950 3.01708 3.03064 3.03734 3.04247 3.04624 3.05368 3.06023 3.06534 3.07168 3.07836 3.08365 3.09052 3.09275 3.09585 3.10413 3.10982 3.11365 3.11899 3.12360 3.12975 3.13142 3.13623 3.14426 3.14655 3.15149 3.15637 3.16220 3.18050 3.18550 3.18917 3.19295 3.20331 3.20679 3.21805 3.22152 3.23100 3.23869 3.24432 3.24743 3.25200 3.25972 3.26984 3.27727 3.28114 3.28336 3.29404 3.30018 3.30390 3.31175 3.31436 3.31667 3.32428 3.33467 3.34820 3.35408 3.36074 3.36281 3.36437 3.37118 3.37533 3.37986 3.38417 3.38822 3.39641 3.40304 3.41313 3.41550 3.42483 3.42820 3.43322 3.43642 3.44183 3.44551 3.44952 3.45618 3.45690 3.46794 3.47417 3.47976 3.49200 3.49576 3.50181 3.50913 3.51392 3.51557 3.52031 3.52821 3.53227 3.54126 3.54826 3.55431 3.55893 3.56484 3.56816 3.57414 3.57878 3.58542 3.59194 3.59884 3.60254 3.60646 3.61441 3.61540 3.62242 3.62547 3.63005 3.63762 3.64543 3.64856 3.65151 3.65978 3.66375 3.67664 3.67701 3.67928 3.68338 3.68606 3.68694 3.69883 3.71488 3.72472 3.72621 3.73638 3.74005 3.75677 3.76620 3.76701 3.77682 3.78982 3.80003 3.80341 3.81968 3.82660 3.83264 3.84311 3.84927 3.85296 3.86131 3.86978 3.87644 3.88343 3.88811 3.89443 3.90702 3.91484 3.93174 3.93379 3.94257 3.95548 3.95868 3.96930 3.97337 3.97692 3.98764 3.99330 3.99532 4.00246 4.01049 4.01201 4.01542 4.01807 4.02136 4.02765 4.02949 4.03892 4.04875 4.05461 4.05580 4.05849 4.06690 4.07502 4.07830 4.08951 4.09730 4.10082 4.11143 4.11328 4.12087 4.13175 4.13774 4.13879 4.14200 4.14838 4.15323 4.15412 4.15561 4.15720 4.16293 4.16489 4.16907 4.17213 4.17894 4.19508 4.19900 4.20052 4.20549 4.21064 4.21873 4.22430 4.23243 4.23696 4.23835 4.25222 4.25624 4.26365 4.27319 4.27828 4.27972 4.28950 4.29584 4.30662 4.31240 4.31452 4.32119 4.32592 4.33078 4.33456 4.34337 4.34519 4.35484 4.36484 4.37128 4.37313 4.39306 4.40303 4.41318 4.42558 4.43013 4.45188 4.45466 4.45938 4.46725 4.47308 4.48477 4.48803 4.50133 4.52162 4.53394 4.53833 4.54361 4.54661 4.55471 4.56541 4.57978 4.58915 4.59409 4.60627 4.62036 4.62831 4.63180 4.63749 4.64491 4.64571 4.65148 4.65563 4.66668 4.67930 4.68562 4.68649 4.72625 4.73766 4.74722 4.75046 4.76109 4.77098 4.77500 4.78263 4.78571 4.79380 4.80058 4.80601 4.81205 4.81481 4.82489 4.83719 4.84889 4.85757 4.86808 4.87822 4.89091 4.90066 4.90860 4.92442 4.93967 4.94479 4.95133 4.97195 4.97937 4.99842 5.01277 5.01715 5.03240 5.04218 5.05435 5.05605 5.06172 5.08014 5.08092 5.09069 5.10275 5.10877 5.11193 5.12800 5.13809 5.14056 5.14569 5.16863 5.17042 5.17223 5.18033 5.18741 5.20244 5.21766 5.22779 5.23342 5.24214 5.24936 5.25850 5.26379 5.27377 5.27671 5.27986 5.28148 5.28878 5.29206 5.29537 5.30325 5.31127 5.31540 5.32361 5.33348 5.34174 5.34607 5.35027 5.35303 5.35770 5.36466 5.37321 5.39206 5.39463 5.40568 5.41044 5.41531 5.43560 5.44316 5.46524 5.46731 5.46987 5.48695 5.49393 5.50574 5.50820 5.51050 5.51634 5.52433 5.52577 5.54405 5.55554 5.55820 5.56484 5.58263 5.59658 5.60552 5.62012 5.62666 5.65270 5.66123 5.67872 5.68763 5.69117 5.69765 5.70836 5.71978 5.72255 5.72542 5.73517 5.73795 5.74035 5.75337 5.75548 5.76268 5.77770 5.78207 5.80018 5.80576 5.81344 5.82706 5.83414 5.89275 5.90529 5.91487 5.93534 6.01035 6.02697 6.08490 6.09143 6.09743 6.16074 6.23759 6.28921 6.31788 6.32809 6.35213 6.40747 6.46937 6.51304 6.52611 6.57756 6.58559 6.70393 6.71679 6.84974 6.87133 6.96882 7.06159 7.10011 7.20051 7.30243 7.32183 7.35526 7.53393 7.61034 16.12611 16.45736 23.04195 23.08152 23.22548 23.46880 23.58559 23.58951 23.61120 23.61391 23.67715 23.71900 23.72501 23.74635 23.76400 23.81770 32.89290 32.94386 33.12592 33.31124 44.15008 44.48447 2-A. 0.6222 1.1522 -1.6497 2.1062 -119.9556 -121.9316 -135.8400 5.8884 -5.7975 4.9604 5.9535 3.9775 -9.9310 5.8884 -5.7975 4.9604 43.6047 18.4437 1.2825 -7.3912 -28.7345 -4.9401 11.6106 -1.6860 -13.0418 4.8325 -3576.6115 -3369.9150 -1076.8860 -9.5046 -38.2133 47.7863 52.1451 -3.5671 -2.9544 -1163.6108 -843.1270 -799.1971 -28.3596 -26.7788 2.0996 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) GINC-NODO01 NSF 2024-12-19T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-966.6072628 S2=0.770286 S2-1=0. S2A=0.750339 RMSD=3.062e-09 Dipole=0.2966292,-0.4271831,0.645111 Quadrupole=3.9429491,6.3106389,-10.2535881,-2.8347987,1.7252443,1.2268693 PG=C01 [X(C14H23B2N4O2)] 0 0.3416293057 2.6327827436 0.1127088242 0 -1.8614059258 2.3488134099 -0.118888927 0 -0.85737759 3.3160871867 -0.0738350271 0 -0.9830900193 4.3908277016 -0.1706048767 0 0.0492397259 1.3063975457 0.180963272 0 -1.2906222085 1.1413350348 0.0417308156 0 0.9322414763 -2.3113454906 0.844844614 0 -1.2681513048 -2.6253198282 0.6191067784 0 -0.0701434762 -3.2807149751 0.8923860326 0 0.060830789 -4.3395053794 1.0983439401 0 0.3353745773 -1.1173062174 0.5734370004 0 -1.0001034986 -1.3175037615 0.423961102 0 0.9534005945 0.1842487424 0.4141575245 0 -1.9452551962 -0.2508476595 -0.1996946624 0 -3.0327266183 -0.2910516036 0.3535516756 0 -2.0493841951 -0.4481233747 -1.4125952371 0 2.1239072777 0.3495922712 0.5784429969 0 0.882121334 -2.0589192772 -2.4739788997 0 -0.0818878634 -2.5582309012 -2.5937590137 0 0.9669897117 -0.7253504256 -2.5125911181 0 0.0861706648 -0.101669759 -2.6795639493 0 2.2207151502 0.0442228815 -2.3465753449 0 3.2763279058 -0.7228362469 -2.0218094104 0 2.308953121 1.2396756755 -2.5007074143 0 4.4941210823 -0.03977467 -1.7975044263 0 4.4077655324 0.6321508193 -0.9295253979 0 5.2490030009 -0.8097549484 -1.600590051 0 4.7808399474 0.5583495554 -2.6742739637 0 1.764338165 -2.6809596953 -2.3088186667 0 -3.3273876002 2.5039376551 -0.3333007416 0 -3.6521598458 1.9693538753 -1.2388304315 0 -3.8972102381 2.0892361391 0.5114705408 0 -3.5807267541 3.5658618647 -0.442845986 0 1.7348126483 3.1396308447 0.2338697553 0 2.1853273454 2.8451547334 1.1952165619 0 2.3583003614 2.7343447374 -0.5773688101 0 1.7387741443 4.234805223 0.167908845 0 -2.6497119875 -3.1683761214 0.496282157 0 -3.3336003921 -2.678524477 1.2054941178 0 -3.0537333992 -2.9975297048 -0.513523302 0 -2.6489901607 -4.247449866 0.6957290853 0 2.4018962518 -2.4178503403 1.0436203254 0 2.9389435537 -2.056908024 0.1521077735 0 2.7371767526 -1.8108181873 1.9006635077 0 2.6810722146 -3.463037186 1.2274307713