Gaussian 16 GINC-NODO01 NSF coments ES64L-G16RevC.02 8-Oct-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 38 38 65 66 352 (5D, 7F) def2SVP 108 108 C1[X(C14H20BN2O)] C1[X(C14H20BN2O)] UwB97XD def2SVP FTS #p wB97xD/Def2SVP opt=(ts,noeigentest,calcfc) freq SCF=(XQC) gfprintgfinput 222.97359999999998 0 2 AuxInfo=1/0/N:31,35,17,13,15,11,12,3,2,10,1,8,6,7;19,27,22,26/E:(1,2)(4,5)(6,7)(8,9)(13,14);/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;1.3,3.3/rA:38nC3C3C3HHNNBHC3C3C3C3HC3HC3HC3HHC3HHHOCHHHCHHHCHHH/rB:;s2;s2;s3;s1s3;s1s2;s1;s8;s8;s10;s10;s11;s11;s12;s12;s13s15;s13;;s19;s19;s19;s22;s15;s17;s22;s26;s27;s27;s27;s6;s31;s31;s31;s7;s35;s35;s35;/rC:.8815,-.8561,-.2334;2.2877,-1.2374,1.4953;2.8869,-1.7091,.3762;2.6273,-1.2227,2.5265;3.8478,-2.1965,.2403;2.027,-1.4683,-.6761;1.068,-.7099,1.1183;-.2554,-.3136,-1.1344;-.1332,-.6075,-2.3095;-1.7505,-.2586,-.5738;-2.6624,.7598,-.9013;-2.2422,-1.2918,.2475;-3.9762,.7583,-.4319;-2.3422,1.5842,-1.5439;-3.5524,-1.306,.7237;-1.5737,-2.1144,.5232;-4.429,-.275,.3871;-4.6523,1.5714,-.709;.4919,1.741,-1.3454;1.4424,1.4987,-1.8282;-.3044,1.9867,-2.0511;.4905,2.4697,-.1635;-.423,2.9045,.2476;-3.8929,-2.1284,1.3584;-5.4571,-.2786,.757;1.5032,2.5204,.7405;2.7876,2.173,.3028;3.1033,2.7973,-.5524;3.4719,2.3455,1.1436;2.8551,1.112,.0061;2.2756,-1.8333,-2.0523;1.4565,-2.4572,-2.4358;2.35,-.9396,-2.6876;3.2173,-2.3937,-2.1057;.1932,-.0187,2.044;-.6111,.4685,1.4872;-.2524,-.7262,2.7594;.7641,.7544,2.5763; /usr/local/CompChem/Gaussian/g16/g16 Output=48_OMe_TS.log chk=48_OMe_TS.chk Mem=12000MB NProc=12 #p wB97xD/Def2SVP opt=(ts,noeigentest,calcfc) freq SCF=(XQC) gfprint g 1/5=1,10=4,11=1,18=20,26=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=2,74=-58,140=1/1,2,3 4//1 5/5=2,8=3,13=1,38=5/2,8 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1,13=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7/10=1,25=1/1,2,3,16 1/5=1,10=4,11=1,18=20,26=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 1/5=1,11=1,18=20,26=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 12 12 12 1 1 14 14 11 1 12 12 12 12 1 12 1 12 1 12 1 1 12 1 1 1 16 12 1 1 1 12 1 1 1 12 1 1 1 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 14.0030740 11.0093053 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 15.9949146 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 1 2 2 3 1 0 0 0 0 1 0 1 0 1 0 1 1 0 1 1 1 0 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 (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 1 1 1 2 2 2 3 3 6 7 8 8 8 10 10 11 11 12 12 13 13 14 15 15 17 19 19 19 22 22 26 27 27 27 31 31 31 35 35 35 6 7 8 3 4 7 5 6 31 35 9 10 19 11 12 13 14 15 16 17 18 21 17 24 25 20 21 22 23 26 27 28 29 30 32 33 34 36 37 38 1.3723 1.3723 1.5487 1.3542 1.0858 1.3814 1.086 1.3801 1.4454 1.4492 1.2174 1.5976 2.1966 1.4057 1.4084 1.3951 1.0932 1.3941 1.0952 1.394 1.0932 2.1382 1.3945 1.0933 1.0926 1.0932 1.092 1.3884 1.092 1.3584 1.4007 1.1049 1.0977 1.1037 1.0987 1.099 1.0971 1.0928 1.1004 1.0987 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 6 6 7 3 3 4 2 2 5 1 1 3 1 1 2 1 1 1 9 9 10 8 8 11 10 10 13 10 10 15 11 11 17 11 12 12 17 13 13 15 8 8 8 20 20 21 14 19 19 23 22 26 26 26 28 28 29 6 6 6 32 32 33 7 7 7 36 36 37 1 1 1 2 2 2 3 3 3 6 6 6 7 7 7 8 8 8 8 8 8 10 10 10 11 11 11 12 12 12 13 13 13 14 15 15 15 17 17 17 19 19 19 19 19 19 21 22 22 22 26 27 27 27 27 27 27 31 31 31 31 31 31 35 35 35 35 35 35 7 8 8 4 7 7 5 6 6 3 31 31 2 35 35 9 10 19 10 19 19 11 12 12 13 14 14 15 16 16 17 18 18 21 17 24 24 15 25 25 20 21 22 21 22 22 19 23 26 26 27 28 29 30 29 30 30 32 33 34 33 34 34 36 37 38 37 38 38 104.584 125.549 129.457 130.632 107.3471 122.0177 130.6363 107.0762 122.2872 110.609 124.2893 125.088 110.3762 126.7241 122.7397 113.7857 119.6629 97.6862 116.1613 95.6763 108.6558 123.3872 120.3996 116.1555 122.1217 119.5541 118.3242 122.3267 118.9916 118.6817 120.2891 119.7568 119.9541 124.0944 120.0528 119.9119 120.035 119.051 120.4623 120.4862 97.5169 91.3978 114.1269 113.4758 119.5523 115.5525 119.9532 122.0249 125.8226 110.9918 117.8024 111.3315 107.0577 112.2439 109.0205 108.5104 108.5947 110.3386 110.8965 108.8403 108.0897 109.4391 109.2149 109.3574 110.6716 109.3571 108.6583 108.3974 110.3565 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 7 7 8 8 6 6 8 8 6 6 6 7 7 7 4 4 7 7 3 3 4 4 2 2 5 5 1 1 1 3 3 3 1 1 1 2 2 2 1 1 9 9 19 19 1 1 1 9 9 9 10 10 10 8 8 12 12 8 8 11 11 10 10 14 14 10 13 10 10 16 16 11 11 18 18 11 12 12 24 24 8 20 22 8 8 20 20 21 21 19 23 22 22 22 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 15 15 15 15 19 19 19 19 19 19 19 19 19 22 22 26 26 26 6 6 6 6 7 7 7 7 8 8 8 8 8 8 3 3 3 3 7 7 7 7 6 6 6 6 31 31 31 31 31 31 35 35 35 35 35 35 10 10 10 10 10 10 19 19 19 19 19 19 19 19 19 11 11 11 11 12 12 12 12 13 13 13 13 14 14 15 15 15 15 17 17 17 17 21 17 17 17 17 21 21 21 22 22 22 22 22 22 26 26 27 27 27 3 31 3 31 2 35 2 35 9 10 19 9 10 19 5 6 5 6 1 35 1 35 1 31 1 31 32 33 34 32 33 34 36 37 38 36 37 38 11 12 11 12 11 12 20 21 22 20 21 22 20 21 22 13 14 13 14 15 16 15 16 17 18 17 18 21 21 17 24 17 24 15 25 15 25 19 13 25 13 25 14 14 14 23 26 23 26 23 26 27 27 28 29 30 0.8087 179.5212 174.027 -7.2605 -0.8754 174.5945 -173.7272 1.7427 7.9588 151.6188 -91.7449 179.4469 -36.893 79.7432 0.7324 -179.451 -179.925 -0.1085 0.6299 -175.0538 -179.9585 4.3578 -0.4486 -179.1485 179.3867 0.6868 -54.2896 65.4454 -174.3892 124.2376 -116.0275 4.1379 -5.6064 114.062 -124.1602 169.3437 -70.9879 50.7899 144.8383 -38.0327 -72.328 104.801 34.0609 -148.8101 60.9951 174.8959 -66.1771 -53.9907 59.9101 178.8371 -174.0703 -60.1695 58.7575 177.8273 -2.1678 0.5861 -179.4091 -177.9151 2.0691 -0.5857 179.3985 -0.1749 179.8597 179.8203 -0.1451 -12.5602 167.4445 0.172 179.9546 -179.8123 -0.0296 -0.2683 179.9554 179.697 -0.0793 -30.879 0.2693 -179.9545 -179.5131 0.2632 51.8291 150.6452 -65.873 -77.6836 88.8721 167.5627 -25.8816 26.425 -167.0193 20.8888 -171.2997 56.848 175.9128 -65.0188 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 0.10000e-02 0.10000e-05 F 370 A 352 A 590 370 1327.5187394778 38 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. saddle point Step number 56 out of a maximum of 213 All quantities printed in internal units (Hartrees-Bohrs-Radians) -0.03717 0.00012 0.00104 0.00169 0.00346 0.00587 0.00650 0.00702 0.00730 0.00969 0.01154 0.01216 0.01292 0.01446 0.01568 0.01792 0.01819 0.01835 0.01895 0.02248 0.02370 0.02502 0.02589 0.02701 0.02858 0.03052 0.03085 0.03322 0.03894 0.04406 0.04669 0.04798 0.05212 0.05884 0.05939 0.05970 0.06039 0.07210 0.07640 0.08607 0.08726 0.09909 0.10205 0.10614 0.10988 0.11685 0.11972 0.12313 0.12337 0.12679 0.13254 0.13366 0.13542 0.14729 0.17808 0.17840 0.18202 0.18567 0.18741 0.18851 0.18908 0.19366 0.19401 0.21046 0.21978 0.22044 0.22525 0.23016 0.24087 0.27510 0.27983 0.30128 0.31370 0.31779 0.33091 0.33940 0.34089 0.34344 0.34456 0.34613 0.34721 0.34968 0.35301 0.35624 0.35970 0.36043 0.36093 0.36146 0.36362 0.36529 0.37297 0.37635 0.38211 0.38342 0.39036 0.40072 0.40480 0.42414 0.42787 0.43413 0.44145 0.46230 0.47982 0.48650 0.50038 0.52119 0.54054 0.57590 9.846670007e-11 0.00000000e+00 Linear search 1 2 0.00031379 0.00000014 0.00000006 0.00000002 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 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 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 2.59946 2.60022 2.91442 2.55856 2.05198 2.61120 2.05230 2.60807 2.72950 2.73655 2.29890 3.01306 4.20320 2.65805 2.66200 2.63531 2.06644 2.63453 2.06930 2.63500 2.06581 3.99893 2.63499 2.06598 2.06469 2.06356 2.06082 2.60301 2.06389 2.56206 2.64832 2.08780 2.07393 2.08516 2.07693 2.07730 2.07347 2.06528 2.08011 2.07655 1.82294 2.19025 2.26211 2.27895 1.87470 2.12947 2.27887 1.87046 2.13385 1.93038 2.16843 2.18378 1.92604 2.21160 2.14248 1.99317 2.10694 1.70158 2.03161 1.63640 1.88161 2.14585 2.10994 2.02588 2.13242 2.08642 2.06435 2.13547 2.07654 2.07117 2.09924 2.09038 2.09356 2.12158 2.09564 2.09254 2.09499 2.07760 2.10251 2.10306 1.67018 1.55587 1.99309 1.99783 2.10051 2.02811 2.22033 2.12905 2.20363 1.93704 2.05573 1.94219 1.86799 1.95721 1.90345 1.89483 1.89705 1.92584 1.93741 1.90030 1.88568 1.90935 1.90503 1.90851 1.93474 1.91006 1.89472 1.89173 1.92346 0.01995 3.12609 3.03750 -0.13955 -0.02132 3.03755 -3.03178 0.02709 0.09054 2.64791 -1.61225 3.07598 -0.64983 1.37319 0.01422 -3.13081 -3.14040 -0.00225 0.01511 -3.04764 -3.13816 0.08228 -0.01137 -3.11713 3.12714 0.02138 -0.93522 1.15477 -3.03093 2.16580 -2.02740 0.07009 -0.11475 1.97358 -2.18447 2.93459 -1.26026 0.86487 2.62690 -0.57636 -1.11108 1.96884 0.69832 -2.50494 1.07730 3.07581 -1.13888 -0.93024 1.06826 3.13676 -3.01217 -1.01367 1.05484 3.09863 -0.03950 0.01596 -3.12218 -3.09925 0.03673 -0.01527 3.12071 -0.00563 3.13851 3.13254 -0.00650 -0.36768 2.77723 0.00421 3.14021 -3.13179 0.00421 -0.00626 -3.14138 3.13278 -0.00234 -0.30616 0.00694 -3.14113 -3.12906 0.00606 0.80701 2.48022 -1.22999 -1.37114 1.57865 2.94154 -0.39186 0.40396 -2.92944 0.30796 -3.00769 1.00704 3.08511 -1.11923 0.00000 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 0.00001 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 0.00001 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 0.00001 0.00001 -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 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00010 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 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00003 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00019 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00006 0.00001 -0.00010 0.00001 -0.00001 0.00002 -0.00043 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00002 0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00002 -0.00002 0.00003 -0.00008 -0.00004 0.00002 -0.00004 0.00009 0.00003 0.00017 0.00021 0.00018 0.00009 0.00013 0.00009 0.00001 -0.00001 0.00002 0.00000 -0.00001 0.00004 -0.00000 0.00006 0.00001 -0.00003 -0.00001 -0.00005 -0.00011 -0.00010 -0.00010 -0.00006 -0.00005 -0.00005 0.00026 0.00025 0.00026 0.00019 0.00018 0.00020 -0.00035 -0.00030 -0.00031 -0.00026 -0.00033 -0.00028 -0.00032 -0.00030 -0.00030 -0.00033 -0.00031 -0.00031 -0.00032 -0.00030 -0.00030 0.00005 0.00006 0.00000 0.00001 -0.00005 -0.00002 0.00000 0.00003 -0.00000 -0.00000 -0.00001 -0.00002 0.00041 0.00042 -0.00001 0.00000 -0.00003 -0.00002 -0.00000 -0.00000 0.00000 -0.00000 -0.00102 0.00001 0.00001 -0.00000 -0.00000 0.00061 0.00069 0.00071 0.00010 0.00009 0.00011 0.00009 0.00007 0.00005 0.00020 0.00018 -0.00005 -0.00005 -0.00005 0.00001 0.00001 -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 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00010 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 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00003 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00019 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00006 0.00001 -0.00010 0.00001 -0.00001 0.00002 -0.00043 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00002 0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00002 -0.00002 0.00003 -0.00008 -0.00004 0.00002 -0.00004 0.00009 0.00003 0.00017 0.00021 0.00018 0.00009 0.00013 0.00009 0.00001 -0.00001 0.00002 0.00000 -0.00001 0.00004 -0.00000 0.00006 0.00001 -0.00003 -0.00001 -0.00005 -0.00011 -0.00010 -0.00010 -0.00006 -0.00005 -0.00005 0.00026 0.00025 0.00026 0.00019 0.00018 0.00020 -0.00035 -0.00030 -0.00031 -0.00026 -0.00033 -0.00028 -0.00032 -0.00030 -0.00030 -0.00033 -0.00031 -0.00031 -0.00032 -0.00030 -0.00030 0.00005 0.00006 0.00000 0.00001 -0.00005 -0.00002 0.00000 0.00003 -0.00000 -0.00000 -0.00001 -0.00002 0.00041 0.00042 -0.00001 0.00000 -0.00003 -0.00002 -0.00000 -0.00000 0.00000 -0.00000 -0.00102 0.00001 0.00001 -0.00000 -0.00000 0.00061 0.00069 0.00071 0.00010 0.00009 0.00011 0.00009 0.00007 0.00005 0.00020 0.00018 -0.00005 -0.00005 -0.00005 2.59947 2.60022 2.91442 2.55856 2.05198 2.61120 2.05230 2.60807 2.72949 2.73655 2.29890 3.01308 4.20321 2.65806 2.66200 2.63531 2.06645 2.63453 2.06930 2.63500 2.06581 3.99884 2.63499 2.06598 2.06469 2.06356 2.06081 2.60301 2.06389 2.56206 2.64833 2.08780 2.07393 2.08516 2.07693 2.07730 2.07347 2.06527 2.08011 2.07656 1.82293 2.19024 2.26212 2.27895 1.87470 2.12947 2.27887 1.87046 2.13385 1.93038 2.16843 2.18378 1.92605 2.21161 2.14247 1.99318 2.10696 1.70157 2.03161 1.63640 1.88158 2.14586 2.10992 2.02588 2.13242 2.08640 2.06436 2.13546 2.07653 2.07117 2.09924 2.09038 2.09356 2.12177 2.09564 2.09254 2.09499 2.07760 2.10250 2.10306 1.67025 1.55589 1.99299 1.99784 2.10050 2.02813 2.21991 2.12905 2.20362 1.93705 2.05573 1.94218 1.86799 1.95722 1.90346 1.89482 1.89704 1.92585 1.93741 1.90029 1.88568 1.90934 1.90503 1.90851 1.93473 1.91006 1.89471 1.89173 1.92348 0.01993 3.12611 3.03742 -0.13958 -0.02129 3.03751 -3.03169 0.02712 0.09071 2.64812 -1.61207 3.07607 -0.64970 1.37329 0.01423 -3.13082 -3.14038 -0.00224 0.01509 -3.04760 -3.13816 0.08234 -0.01136 -3.11716 3.12713 0.02133 -0.93533 1.15467 -3.03103 2.16574 -2.02745 0.07004 -0.11449 1.97383 -2.18421 2.93478 -1.26008 0.86506 2.62655 -0.57666 -1.11139 1.96858 0.69799 -2.50522 1.07699 3.07551 -1.13918 -0.93057 1.06795 3.13646 -3.01248 -1.01397 1.05454 3.09869 -0.03944 0.01596 -3.12216 -3.09930 0.03671 -0.01527 3.12074 -0.00563 3.13851 3.13253 -0.00651 -0.36727 2.77765 0.00420 3.14021 -3.13182 0.00419 -0.00626 -3.14138 3.13278 -0.00234 -0.30719 0.00694 -3.14112 -3.12906 0.00606 0.80762 2.48091 -1.22927 -1.37104 1.57873 2.94165 -0.39177 0.40403 -2.92939 0.30816 -3.00751 1.00699 3.08506 -1.11927 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000007 0.000001 0.001065 0.000314 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.058187e-09 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 1 1 1 2 2 2 3 3 6 7 8 8 8 10 10 11 11 12 12 13 13 14 15 15 17 19 19 19 22 22 26 27 27 27 31 31 31 35 35 35 6 7 8 3 4 7 5 6 31 35 9 10 19 11 12 13 14 15 16 17 18 21 17 24 25 20 21 22 23 26 27 28 29 30 32 33 34 36 37 38 1.3756 1.376 1.5422 1.3539 1.0859 1.3818 1.086 1.3801 1.4444 1.4481 1.2165 1.5944 2.2242 1.4066 1.4087 1.3945 1.0935 1.3941 1.095 1.3944 1.0932 2.1161 1.3944 1.0933 1.0926 1.092 1.0905 1.3775 1.0922 1.3558 1.4014 1.1048 1.0975 1.1034 1.0991 1.0993 1.0972 1.0929 1.1007 1.0989 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6 6 7 3 3 4 2 2 5 1 1 3 1 1 2 1 1 1 9 9 10 8 8 11 10 10 13 10 10 15 11 11 17 11 12 12 17 13 13 15 8 8 8 20 20 21 14 19 19 23 22 26 26 26 28 28 29 6 6 6 32 32 33 7 7 7 36 36 37 1 1 1 2 2 2 3 3 3 6 6 6 7 7 7 8 8 8 8 8 8 10 10 10 11 11 11 12 12 12 13 13 13 14 15 15 15 17 17 17 19 19 19 19 19 19 21 22 22 22 26 27 27 27 27 27 27 31 31 31 31 31 31 35 35 35 35 35 35 7 8 8 4 7 7 5 6 6 3 31 31 2 35 35 9 10 19 10 19 19 11 12 12 13 14 14 15 16 16 17 18 18 21 17 24 24 15 25 25 20 21 22 21 22 22 19 23 26 26 27 28 29 30 29 30 30 32 33 34 33 34 34 36 37 38 37 38 38 104.4467 125.4921 129.6092 130.5742 107.4122 122.0095 130.5694 107.1695 122.2609 110.6026 124.2416 125.1217 110.3542 126.7155 122.755 114.2005 120.7189 97.4934 116.4026 93.7589 107.808 122.948 120.8904 116.0742 122.1786 119.5428 118.2783 122.3533 118.9769 118.669 120.2777 119.7702 119.952 121.5574 120.0712 119.894 120.034 119.0375 120.4647 120.4967 95.6944 89.1449 114.1955 114.4672 120.3506 116.2022 127.2157 121.9856 126.2584 110.9842 117.7847 111.2795 107.0277 112.1397 109.0598 108.5657 108.6928 110.3424 111.0057 108.8789 108.0412 109.3977 109.1499 109.3495 110.8522 109.4384 108.5593 108.3884 110.2061 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 7 7 8 8 6 6 8 8 6 6 6 7 7 7 4 4 7 7 3 3 4 4 2 2 5 5 1 1 1 3 3 3 1 1 1 2 2 2 1 1 9 9 19 19 1 1 1 9 9 9 10 10 10 8 8 12 12 8 8 11 11 10 10 14 14 10 13 10 10 16 16 11 11 18 18 11 12 12 24 24 8 20 22 8 8 20 20 21 21 19 23 22 22 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 15 15 15 15 19 19 19 19 19 19 19 19 19 22 22 26 26 6 6 6 6 7 7 7 7 8 8 8 8 8 8 3 3 3 3 7 7 7 7 6 6 6 6 31 31 31 31 31 31 35 35 35 35 35 35 10 10 10 10 10 10 19 19 19 19 19 19 19 19 19 11 11 11 11 12 12 12 12 13 13 13 13 14 14 15 15 15 15 17 17 17 17 21 17 17 17 17 21 21 21 22 22 22 22 22 22 26 26 27 27 3 31 3 31 2 35 2 35 9 10 19 9 10 19 5 6 5 6 1 35 1 35 1 31 1 31 32 33 34 32 33 34 36 37 38 36 37 38 11 12 11 12 11 12 20 21 22 20 21 22 20 21 22 13 14 13 14 15 16 15 16 17 18 17 18 21 21 17 24 17 24 15 25 15 25 19 13 25 13 25 14 14 14 23 26 23 26 23 26 27 27 28 29 1.1431 179.1116 174.036 -7.9954 -1.2213 174.0389 -173.7081 1.5521 5.1875 151.7143 -92.3751 176.2408 -37.2324 78.6782 0.8149 -179.382 -179.9318 -0.1287 0.8657 -174.6169 -179.8032 4.7142 -0.6513 -178.5982 179.1718 1.225 -53.5839 66.1634 -173.6592 124.0911 -116.1615 4.0158 -6.5749 113.0781 -125.1612 168.1396 -72.2074 49.5533 150.5104 -33.023 -63.6604 112.8062 40.0108 -143.5226 61.7249 176.2307 -65.2529 -53.2989 61.2069 179.7233 -172.5845 -58.0788 60.4377 177.5387 -2.2632 0.9143 -178.8876 -177.5741 2.1045 -0.8749 178.8037 -0.3227 179.8235 179.4816 -0.3723 -21.0668 159.1236 0.2409 179.9206 -179.4386 0.2411 -0.3584 -179.9876 179.4952 -0.1341 -17.5418 0.3976 -179.9733 -179.2817 0.3474 46.2383 142.1061 -70.4731 -78.5605 90.4498 168.5378 -22.452 23.145 -167.8448 17.6448 -172.3278 57.6994 176.7638 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0349638530 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 222.97359999999998 AuxInfo=1/0/N:31,35,17,13,15,11,12,3,2,10,1,8,6,7;19,27,22,26/E:(1,2)(4,5)(6,7)(8,9)(13,14);/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;1.3,3.3/rA:38nC3C3C3HHNNBHC3C3C3C3HC3HC3HC3HHC3HHHOCHHHCHHHCHHH/rB:;s2;s2;s3;s1s3;s1s2;s1;s8;s8;s10;s10;s11;s11;s12;s12;s13s15;s13;;s19;s19;s19;s22;s15;s17;s22;s26;s27;s27;s27;s6;s31;s31;s31;s7;s35;s35;s35;/rC:.8815,-.8561,-.2334;2.2877,-1.2374,1.4953;2.8869,-1.7092,.3762;2.6273,-1.2227,2.5265;3.8478,-2.1965,.2403;2.027,-1.4683,-.6761;1.068,-.7099,1.1183;-.2554,-.3137,-1.1344;-.1332,-.6075,-2.3095;-1.7505,-.2586,-.5738;-2.6624,.7598,-.9013;-2.2422,-1.2918,.2475;-3.9762,.7583,-.4319;-2.3422,1.5842,-1.5439;-3.5524,-1.306,.7237;-1.5737,-2.1144,.5232;-4.429,-.275,.3871;-4.6523,1.5714,-.709;.4919,1.7411,-1.3454;1.4424,1.4987,-1.8282;-.3044,1.9867,-2.0511;.4905,2.4697,-.1635;-.423,2.9045,.2476;-3.8929,-2.1284,1.3584;-5.4571,-.2786,.757;1.5032,2.5204,.7405;2.7876,2.173,.3028;3.1033,2.7972,-.5524;3.4719,2.3455,1.1436;2.8551,1.1121,.0061;2.2756,-1.8333,-2.0523;1.4565,-2.4572,-2.4358;2.35,-.9396,-2.6876;3.2173,-2.3937,-2.1057;.1932,-.0187,2.044;-.6111,.4685,1.4872;-.2524,-.7262,2.7594;.7641,.7544,2.5763; 0.000000 2.260836 0.000000 2.262996 1.354169 0.000000 3.286283 1.085826 2.219871 0.000000 3.289433 2.220041 1.085976 2.768526 0.000000 1.372277 2.199114 1.380121 3.267637 2.164547 0.000000 1.372260 1.381389 2.203974 2.162810 3.272332 2.171308 0.000000 1.548716 3.773091 3.755474 4.747517 4.719268 2.598639 2.642498 0.000000 2.324112 4.553471 4.189016 5.602331 4.987492 2.841784 3.633550 1.217420 0.000000 2.720291 4.641827 4.950954 5.450404 5.979892 3.967802 3.318214 1.597634 2.397840 0.000000 3.951754 5.851223 6.206681 6.607715 7.240601 5.196761 4.489398 2.645805 3.201444 1.405736 0.000000 3.190317 4.698927 5.147626 5.376860 6.156821 4.371531 3.471847 2.610258 3.384372 1.408443 2.388582 0.000000 5.122731 6.850818 7.337798 7.502193 8.390331 6.407506 5.477427 3.935309 4.489881 2.451130 1.395120 2.769665 0.000000 4.250224 6.215676 6.471211 7.010225 7.469498 5.400111 4.896878 2.850294 3.204554 2.164990 1.093202 3.389733 2.142124 0.000000 4.558207 5.891263 6.461224 6.437848 7.469230 5.754603 4.675315 3.912406 4.623671 2.455050 2.774897 1.394120 2.403345 3.867758 0.000000 2.860721 4.077373 4.481406 4.738922 5.429540 3.849830 3.050443 2.779949 3.517062 2.162995 3.387545 1.095230 3.864735 4.306155 2.146796 0.000000 5.378061 6.875221 7.455138 7.434152 8.498188 6.650916 5.562395 4.442414 5.082884 2.845710 2.418991 2.415687 1.394037 3.397055 1.394534 3.399190 0.000000 6.061470 7.804650 8.293328 8.442066 9.346136 7.338567 6.423774 4.802806 5.266041 3.433338 2.157615 3.862794 1.093182 2.456405 3.397276 4.957895 2.158752 0.000000 2.851905 4.490627 4.539139 5.323104 5.411167 3.620023 3.522595 2.196558 2.614569 3.102003 3.333167 4.382978 4.665242 2.845398 5.470078 4.756357 5.592959 5.186242 0.000000 2.898772 4.387092 4.151676 5.270084 4.870246 3.236082 3.701316 2.578438 2.673945 3.854315 4.272502 5.066630 5.644342 3.796180 6.270998 5.261179 6.521196 6.197018 1.093245 0.000000 3.576546 5.448949 5.453024 6.312682 6.323788 4.388985 4.381793 2.476770 2.612620 3.052075 2.896179 4.448268 4.196837 2.138248 5.393594 5.005727 5.298369 4.569325 1.092014 1.827249 0.000000 3.349390 4.441218 4.847351 5.043409 5.762642 4.258117 3.476536 3.040702 3.803049 3.554413 3.661795 4.667389 4.790822 3.273158 5.602423 5.074057 5.660127 5.249070 1.388435 2.149476 2.104336 0.000000 4.009390 5.104983 5.679631 5.615347 6.652867 5.096836 4.005678 3.506365 4.353946 3.527379 3.306764 4.573617 4.206310 2.938692 5.267614 5.156504 5.116258 4.536431 2.174488 3.124915 2.478045 1.092047 0.000000 5.191035 6.245984 6.863345 6.685620 7.821301 6.294450 5.165231 4.768479 5.468225 3.437955 3.868108 2.158455 3.397817 4.961011 1.093279 2.464987 2.160141 4.305738 6.442807 7.195477 6.437129 6.532397 6.213223 0.000000 6.441381 7.838793 8.474275 8.329478 9.514529 7.712394 6.549267 5.534945 6.152605 3.938310 3.411492 3.409059 2.163675 4.297269 2.164375 4.301760 1.092603 2.493796 6.624921 7.579183 6.290279 6.616158 5.977741 2.496072 0.000000 3.568712 3.912390 4.465052 4.297049 5.291207 4.265099 3.281359 3.826185 4.665170 4.476245 4.811176 5.366862 5.873927 4.569652 6.340357 5.567404 6.567289 6.394658 2.445568 2.765109 3.368250 1.358417 2.025022 7.149173 7.501991 0.000000 3.618855 3.647306 3.884110 4.062172 4.496715 3.846529 3.454454 4.184358 4.804824 5.222581 5.757574 6.107855 6.949097 5.483771 7.243991 6.119743 7.620911 7.532455 2.858878 2.608768 3.890492 2.362675 3.293366 8.015281 8.613423 1.400704 0.000000 4.287813 4.597495 4.606180 5.085905 5.110788 4.400992 4.385680 4.614944 5.015470 5.735720 6.125115 6.777483 7.368301 5.666435 7.922338 6.867031 8.188836 7.853513 2.926404 2.464320 3.809934 2.661902 3.617580 8.767003 9.190007 2.075755 1.104911 0.000000 4.342424 3.789922 4.167911 3.918926 4.646207 4.465888 3.887834 5.114019 5.800069 6.083112 6.657768 6.832501 7.776589 6.450252 7.927797 6.762687 8.358389 8.368630 3.929439 3.696996 4.959336 3.257718 4.035547 8.619843 9.314605 2.017157 1.097690 1.793405 0.000000 2.797545 2.838979 2.845564 3.443210 3.462195 2.794520 2.783977 3.606773 4.153174 4.840117 5.602756 5.640834 6.854488 5.444041 6.886069 5.503831 7.424772 7.555403 2.794063 2.347337 3.870327 2.731951 3.744019 7.606896 8.461125 2.085827 1.103732 1.792594 1.787683 0.000000 2.491385 3.597331 2.507408 4.632780 2.803593 1.445353 3.573909 3.091578 2.714958 4.568864 5.694975 5.098263 6.958915 5.767283 6.476795 4.639959 7.302751 7.835296 4.056752 3.441887 4.609593 5.026928 5.917701 7.054753 8.372740 5.229856 4.675411 4.937323 5.395174 3.639797 0.000000 2.782973 4.199074 3.242398 5.245918 3.598315 2.097630 3.979355 3.036339 2.442289 4.311098 5.446983 4.715790 6.623401 5.617728 6.032950 4.249174 6.882607 7.518600 4.443539 4.002310 4.795520 5.510991 6.283448 6.566579 7.920723 5.904904 5.541729 5.819685 6.319827 4.545173 1.098695 0.000000 2.861204 4.193917 3.204288 5.229161 3.520778 2.104735 4.022514 3.097141 2.533669 4.663181 5.585946 5.461345 6.927570 5.449225 6.827023 5.204263 7.473257 7.697522 3.527020 2.739997 4.001720 4.631647 5.575152 7.533660 8.558714 4.943747 4.338493 4.369310 5.170005 3.423505 1.098978 1.778966 0.000000 3.365408 3.894665 2.595768 4.814292 2.437314 2.077725 4.224774 4.162903 3.802352 5.619946 6.779827 6.046273 8.030108 6.859088 7.417318 5.472007 8.316762 8.922058 5.010183 4.286955 5.620737 5.904267 6.845534 7.913567 9.376188 5.931936 5.180800 5.419591 5.751827 4.108688 1.097139 1.792536 1.790282 0.000000 2.522181 2.484672 3.590982 2.758173 4.620868 3.586529 1.449158 3.223390 4.405200 3.269308 4.175563 3.283128 4.910935 4.676569 4.174871 3.134771 4.916827 5.795337 3.830626 4.342425 4.586836 3.339645 3.485950 4.649375 5.800814 3.140421 3.816541 4.810381 4.141260 3.538026 4.940537 5.254609 5.280862 5.657389 0.000000 2.634906 3.363578 4.267609 3.798400 5.342188 3.923118 2.084271 2.758790 3.975021 2.464709 3.161919 2.701080 3.884672 3.664546 3.518953 2.920190 4.042171 4.729784 3.295353 4.033563 3.862457 2.818274 2.739695 4.186978 4.957323 3.039386 3.982316 4.835271 4.506858 3.823940 5.114628 5.312712 5.308429 5.979795 1.092828 0.000000 3.202976 2.882938 4.062068 2.931419 5.031776 4.189116 2.106371 3.915551 5.071634 3.684198 4.627888 3.254021 5.123945 5.312592 3.920508 2.945103 4.824456 6.055412 4.846683 5.372897 5.523001 4.394151 4.418184 4.145132 5.594568 4.206947 4.866333 5.885860 5.090794 4.540523 5.546932 5.736414 6.040436 6.203883 1.100399 1.781739 0.000000 3.240657 2.730828 3.926263 2.717139 4.865568 4.136838 2.088671 3.993678 5.150812 4.156078 4.882136 4.318331 5.614270 5.226280 5.129311 4.232139 5.728926 6.387375 4.053043 4.518143 4.906466 3.243991 3.384556 5.610849 6.563595 2.652394 3.357881 4.408386 3.451972 3.332603 5.514069 5.992928 5.752660 6.152244 1.098657 1.777409 1.805278 0.000000 C14H20BN2O(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 0 222.97359999999998 AuxInfo=1/0/N:31,35,17,13,15,11,12,3,2,10,1,8,6,7;19,27,22,26/E:(1,2)(4,5)(6,7)(8,9)(13,14);/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;1.3,3.3/rA:38nC3C3C3HHNNBHC3C3C3C3HC3HC3HC3HHC3HHHOCHHHCHHHCHHH/rB:;s2;s2;s3;s1s3;s1s2;s1;s8;s8;s10;s10;s11;s11;s12;s12;s13s15;s13;;s19;s19;s19;s22;s15;s17;s22;s26;s27;s27;s27;s6;s31;s31;s31;s7;s35;s35;s35;/rC:-.8815,-.8561,.2334;-2.2877,-1.2374,-1.4953;-2.8869,-1.7092,-.3762;-2.6273,-1.2227,-2.5265;-3.8478,-2.1965,-.2403;-2.027,-1.4683,.6761;-1.068,-.7099,-1.1183;.2554,-.3137,1.1344;.1332,-.6075,2.3095;1.7505,-.2586,.5738;2.6624,.7598,.9013;2.2422,-1.2918,-.2475;3.9762,.7583,.4319;2.3422,1.5842,1.5439;3.5524,-1.306,-.7237;1.5737,-2.1144,-.5232;4.429,-.275,-.3871;4.6523,1.5714,.709;-.4919,1.7411,1.3454;-1.4424,1.4987,1.8282;.3044,1.9867,2.0511;-.4905,2.4697,.1635;.423,2.9045,-.2476;3.8929,-2.1284,-1.3584;5.4571,-.2786,-.757;-1.5032,2.5204,-.7405;-2.7876,2.173,-.3028;-3.1033,2.7972,.5524;-3.4719,2.3455,-1.1436;-2.8551,1.1121,-.0061;-2.2756,-1.8333,2.0523;-1.4565,-2.4572,2.4358;-2.35,-.9396,2.6876;-3.2173,-2.3937,2.1057;-.1932,-.0187,-2.044;.6111,.4685,-1.4872;.2524,-.7262,-2.7594;-.7641,.7544,-2.5763; 0.6203187 0.3087171 0.2687328 -19.27661 -14.51280 -14.50957 -10.35081 -10.34910 -10.34723 -10.34447 -10.34320 -10.33365 -10.32682 -10.28021 -10.27954 -10.27906 -10.27696 -10.27569 -10.27435 -10.26069 -6.79883 -1.14912 -1.14155 -1.03106 -0.92171 -0.88602 -0.84539 -0.83823 -0.81127 -0.80993 -0.78858 -0.78131 -0.71366 -0.69438 -0.66498 -0.66281 -0.65128 -0.63723 -0.59639 -0.58974 -0.58409 -0.56379 -0.55363 -0.55281 -0.54358 -0.54034 -0.53684 -0.53538 -0.51155 -0.50724 -0.49431 -0.48617 -0.48059 -0.47956 -0.47650 -0.45824 -0.44135 -0.43592 -0.42829 -0.40611 -0.39818 -0.39179 -0.37969 -0.36286 -0.35634 -0.31428 -0.30808 -0.29123 -0.16937 0.06845 0.08085 0.08222 0.08856 0.12947 0.14499 0.14616 0.16169 0.17247 0.17757 0.18542 0.18804 0.19469 0.20001 0.20410 0.20993 0.21178 0.21930 0.22172 0.23034 0.23654 0.23843 0.24306 0.24809 0.25275 0.26231 0.28621 0.28838 0.29914 0.30717 0.31684 0.33237 0.35170 0.35491 0.37836 0.39006 0.39516 0.40620 0.40658 0.41599 0.42996 0.43853 0.44545 0.44776 0.47381 0.47760 0.49413 0.49803 0.50891 0.51951 0.52485 0.53917 0.54199 0.54823 0.55176 0.56424 0.56750 0.57736 0.58134 0.58627 0.59709 0.60350 0.61504 0.61744 0.64742 0.66114 0.66360 0.66949 0.67722 0.68532 0.69447 0.69997 0.70382 0.70483 0.71486 0.71912 0.73041 0.73563 0.73810 0.74034 0.74506 0.75087 0.75660 0.75856 0.76262 0.77013 0.77243 0.77677 0.78650 0.79275 0.79900 0.80234 0.80832 0.81279 0.82432 0.82577 0.83920 0.84570 0.85266 0.86473 0.87649 0.88618 0.88778 0.90023 0.90607 0.91735 0.92625 0.94104 0.94413 0.96602 0.97985 1.00798 1.01722 1.02161 1.04479 1.06248 1.07504 1.08695 1.10865 1.13365 1.14991 1.16746 1.17803 1.19848 1.20996 1.22386 1.22707 1.26696 1.27762 1.29647 1.30569 1.31709 1.32618 1.34467 1.34626 1.35016 1.35714 1.37492 1.38003 1.39205 1.39760 1.40157 1.42726 1.43208 1.45252 1.46987 1.48785 1.50713 1.57124 1.58044 1.59757 1.60686 1.61657 1.61916 1.63606 1.64876 1.66825 1.67341 1.68114 1.70116 1.72017 1.72974 1.73883 1.75990 1.77941 1.78736 1.78997 1.79557 1.81799 1.82687 1.84330 1.84659 1.85254 1.85613 1.86547 1.87235 1.87620 1.87961 1.88201 1.88756 1.89338 1.90109 1.90851 1.91061 1.92932 1.93078 1.94316 1.95331 1.96352 1.96776 1.97102 1.98383 1.99524 2.00053 2.01672 2.02255 2.02703 2.04199 2.05262 2.08309 2.08936 2.09312 2.09896 2.10908 2.12138 2.13012 2.14590 2.15528 2.16824 2.18753 2.19445 2.20426 2.21497 2.22730 2.24841 2.26071 2.26646 2.28731 2.31576 2.32428 2.33642 2.35118 2.35383 2.37266 2.39801 2.41232 2.42095 2.42413 2.42733 2.44950 2.45098 2.45915 2.47415 2.49676 2.50179 2.50655 2.51629 2.53735 2.54639 2.58354 2.60780 2.62264 2.65135 2.66662 2.72085 2.72844 2.73597 2.74467 2.75232 2.76550 2.77337 2.79533 2.81125 2.81780 2.83397 2.84607 2.87122 2.88521 2.90332 2.91082 2.91976 2.94287 2.94962 2.97485 2.97937 2.99482 2.99740 3.01165 3.01844 3.02489 3.04702 3.07583 3.10953 3.16413 3.16896 3.19259 3.22539 3.22935 3.27262 3.33593 3.43378 3.47937 3.55674 3.59385 3.64978 3.72310 -19.27451 -14.51104 -14.50751 -10.35004 -10.34919 -10.34724 -10.34453 -10.34309 -10.33376 -10.32019 -10.28025 -10.27960 -10.27959 -10.27892 -10.27538 -10.27409 -10.26112 -6.79597 -1.14308 -1.13826 -1.02703 -0.92141 -0.88450 -0.84294 -0.83103 -0.81091 -0.80924 -0.78796 -0.78133 -0.71241 -0.68951 -0.66410 -0.66190 -0.64617 -0.63554 -0.59247 -0.58578 -0.57978 -0.56189 -0.54925 -0.54762 -0.54186 -0.53880 -0.53307 -0.53033 -0.51074 -0.50632 -0.49383 -0.48526 -0.47985 -0.47734 -0.47521 -0.45615 -0.43995 -0.43508 -0.41562 -0.40241 -0.39364 -0.38913 -0.36863 -0.36071 -0.34254 -0.30803 -0.30588 -0.28563 0.03587 0.08246 0.08353 0.09192 0.10431 0.13000 0.14508 0.14637 0.16199 0.17270 0.17833 0.18775 0.19130 0.19564 0.20125 0.20642 0.21089 0.21289 0.22198 0.22380 0.23174 0.23776 0.23933 0.24566 0.25097 0.25874 0.26437 0.28831 0.28990 0.30014 0.30787 0.31813 0.33484 0.35555 0.35831 0.38027 0.39164 0.39722 0.40708 0.40811 0.41659 0.43054 0.44023 0.44673 0.45232 0.47852 0.47896 0.49583 0.49959 0.50989 0.52064 0.52732 0.54126 0.54548 0.55023 0.55247 0.56610 0.56878 0.58214 0.58311 0.58916 0.60206 0.60509 0.61719 0.62268 0.64805 0.66186 0.66666 0.67052 0.67788 0.68626 0.69633 0.70130 0.70556 0.70667 0.71705 0.71995 0.73134 0.73598 0.73878 0.74194 0.74602 0.75165 0.75765 0.75903 0.76376 0.77152 0.77434 0.77754 0.78726 0.79382 0.80126 0.80417 0.80884 0.81333 0.82433 0.82660 0.84030 0.84667 0.85283 0.86595 0.87733 0.88737 0.88891 0.90165 0.90706 0.91837 0.92886 0.94294 0.94520 0.96769 0.98151 1.01081 1.01968 1.02347 1.04645 1.06423 1.07664 1.08956 1.11153 1.13748 1.15307 1.16889 1.17905 1.20285 1.21222 1.22700 1.22990 1.26829 1.28057 1.29831 1.30722 1.31901 1.32804 1.34646 1.34979 1.35315 1.36213 1.37594 1.38177 1.39430 1.40034 1.40587 1.42899 1.43276 1.45529 1.47607 1.48961 1.51243 1.57392 1.58386 1.59888 1.60804 1.61861 1.62012 1.63847 1.65247 1.67020 1.67519 1.68547 1.70449 1.72056 1.73276 1.74131 1.76180 1.78198 1.78802 1.79147 1.79624 1.81917 1.82791 1.84439 1.84776 1.85396 1.85686 1.86572 1.87299 1.87699 1.88042 1.88272 1.88918 1.89447 1.90265 1.91132 1.91491 1.93007 1.93456 1.94454 1.95594 1.96459 1.96928 1.97381 1.98589 1.99762 2.00233 2.01882 2.02715 2.02899 2.04464 2.05296 2.08421 2.09232 2.09368 2.09951 2.11093 2.12429 2.13573 2.14892 2.15839 2.17115 2.18922 2.19661 2.20569 2.21696 2.22767 2.25183 2.26101 2.26734 2.28755 2.31721 2.32553 2.34012 2.35184 2.35587 2.37427 2.39868 2.41321 2.42216 2.42546 2.42854 2.45029 2.45197 2.46038 2.47439 2.49852 2.50231 2.50750 2.51709 2.53898 2.54805 2.58502 2.61067 2.62771 2.65219 2.66789 2.72180 2.73071 2.73736 2.74558 2.75359 2.76714 2.77656 2.79739 2.81347 2.81953 2.83423 2.84625 2.87477 2.88708 2.90587 2.91375 2.92145 2.94543 2.95275 2.97601 2.98415 2.99500 2.99788 3.01152 3.01962 3.02656 3.04792 3.07641 3.11214 3.16443 3.17037 3.19927 3.22661 3.23026 3.27858 3.33629 3.43569 3.48127 3.55968 3.59450 3.65424 3.72331 2-A. -5.1347 -1.8767 -1.4336 5.6517 -97.5676 -109.0514 -104.4294 8.4006 -4.1632 1.9445 6.1152 -5.3686 -0.7466 8.4006 -4.1632 1.9445 -68.2859 -10.7904 -23.2702 -14.3658 -4.1711 -8.9564 -28.9897 -6.6500 4.5625 13.0855 -3569.5439 -1570.4119 -913.4054 79.3585 -51.2733 35.6994 -17.7296 -1.1086 -8.9303 -813.5827 -769.8283 -402.5462 16.8738 -25.1157 23.5994 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 222.97359999999998 AuxInfo=1/0/N:31,35,17,13,15,11,12,3,2,10,1,8,6,7;19,27,22,26/E:(1,2)(4,5)(6,7)(8,9)(13,14);/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;1.3,3.3/rA:38nC3C3C3HHNNBHC3C3C3C3HC3HC3HC3HHC3HHHOCHHHCHHHCHHH/rB:;s2;s2;s3;s1s3;s1s2;s1;s8;s8;s10;s10;s11;s11;s12;s12;s13s15;s13;;s19;s19;s19;s22;s15;s17;s22;s26;s27;s27;s27;s6;s31;s31;s31;s7;s35;s35;s35;/rC:.8818,-.8615,-.2361;2.3123,-1.2544,1.4741;2.8992,-1.714,.3438;2.6649,-1.2489,2.501;3.8593,-2.1987,.1934;2.0285,-1.465,-.6976;1.0871,-.7241,1.1175;-.2604,-.3167,-1.1176;-.1274,-.547,-2.3047;-1.7566,-.261,-.5695;-2.6912,.7012,-.993;-2.2357,-1.2373,.3259;-4.0103,.7047,-.5407;-2.3847,1.4748,-1.7025;-3.5518,-1.2464,.7856;-1.5533,-2.0212,.6708;-4.4487,-.2689,.3561;-4.7031,1.4732,-.8936;.4789,1.7739,-1.291;1.4139,1.5169,-1.7932;-.35,1.9938,-1.9647;.4957,2.4672,-.1009;-.4105,2.8975,.3309;-3.8813,-2.0244,1.4794;-5.4816,-.2691,.7122;1.5289,2.5324,.7746;2.8014,2.1712,.3115;3.1028,2.7875,-.5545;3.5045,2.3437,1.1363;2.8516,1.108,.0205;2.258,-1.8264,-2.0771;1.4318,-2.4467,-2.4521;2.3277,-.9321,-2.7124;3.1969,-2.3902,-2.1449;.2276,-.0359,2.0581;-.5722,.4719,1.5132;-.2267,-.7461,2.7658;.8113,.7203,2.6013; 0.000000 2.263909 0.000000 2.265624 1.353931 0.000000 3.289625 1.085863 2.219174 0.000000 3.292200 2.219281 1.086032 2.766556 0.000000 1.375574 2.200252 1.380131 3.268523 2.164333 0.000000 1.375975 1.381789 2.205027 2.163117 3.273185 2.174837 0.000000 1.542243 3.770253 3.751197 4.745677 4.715222 2.595021 2.641531 0.000000 2.323070 4.553211 4.187746 5.602265 4.986314 2.841392 3.635691 1.216526 0.000000 2.726359 4.660361 4.962077 5.473064 5.989681 3.974089 3.338774 1.594445 2.397342 0.000000 3.972510 5.911418 6.234774 6.685710 7.261292 5.201439 4.556420 2.638229 3.138728 1.406581 0.000000 3.189904 4.690650 5.156956 5.361630 6.171806 4.391184 3.454110 2.613971 3.441138 1.408672 2.388436 0.000000 5.145734 6.919008 7.373882 7.591313 8.420263 6.418706 5.547540 3.929125 4.444725 2.452041 1.394546 2.769794 0.000000 4.275340 6.292896 6.501971 7.112466 7.488489 5.397094 4.984085 2.839746 3.089612 2.165882 1.093513 3.389972 2.141363 0.000000 4.566026 5.904351 6.482974 6.449067 7.495524 5.778182 4.680017 3.914044 4.665359 2.455577 2.774356 1.394133 2.403339 3.867481 0.000000 2.845524 4.021932 4.475029 4.662590 5.436580 3.874430 2.975560 2.788426 3.613882 2.162875 3.387375 1.095029 3.864614 4.306464 2.146504 0.000000 5.395873 6.923227 7.488609 7.494274 8.530755 6.670425 5.606400 4.440224 5.082380 2.846711 2.418654 2.415787 1.394382 3.396787 1.394377 3.398918 0.000000 6.088834 7.890552 8.335721 8.556938 9.379767 7.347500 6.511464 4.794926 5.197045 3.434237 2.157238 3.862912 1.093177 2.455438 3.397248 4.957750 2.159034 0.000000 2.867134 4.491917 4.549323 5.319369 5.423357 3.639245 3.522879 2.224239 2.604219 3.107844 3.359832 4.364637 4.675353 2.908411 5.447969 4.730856 5.582672 5.205846 0.000000 2.892122 4.377428 4.148735 5.258807 4.871628 3.235726 3.687917 2.573263 2.626225 3.835394 4.261080 5.039334 5.625843 3.799880 6.240462 5.233860 6.494414 6.182882 1.091992 0.000000 3.557839 5.428031 5.443793 6.288707 6.320890 4.384801 4.353413 2.462542 2.573160 3.001533 2.845338 4.386608 4.133680 2.116144 5.321103 4.951157 5.225380 4.513012 1.090537 1.835254 0.000000 3.353780 4.430648 4.843285 5.028423 5.759472 4.262418 3.466794 3.058760 3.785653 3.568752 3.751137 4.622345 4.858474 3.441987 5.564110 4.994009 5.669410 5.352044 1.377453 2.147069 2.100757 0.000000 4.015142 5.094903 5.676279 5.599999 6.649923 5.102745 3.997139 3.528723 4.346430 3.549459 3.431863 4.519657 4.304288 3.171203 5.219764 5.061104 5.131579 4.685554 2.164250 3.121855 2.467794 1.092162 0.000000 5.194401 6.241205 6.881869 6.670643 7.848651 6.322781 5.148447 4.771933 5.531165 3.438264 3.867543 2.158269 3.397869 4.960692 1.093271 2.464392 2.159984 4.305787 6.411911 7.161611 6.362177 6.467611 6.131043 0.000000 6.460837 7.892709 8.512360 8.397914 9.552236 7.734265 6.596880 5.532739 6.151939 3.939294 3.411125 3.409165 2.163996 4.296853 2.164331 4.301458 1.092586 2.494133 6.611632 7.550758 6.214474 6.623990 5.990716 2.496062 0.000000 3.599876 3.929747 4.482818 4.309264 5.305861 4.289132 3.304196 3.860045 4.659265 4.517163 4.928171 5.346427 5.979492 4.750928 6.331950 5.499699 6.614698 6.537821 2.438143 2.763643 3.365118 1.355783 2.022746 7.108563 7.549846 0.000000 3.630669 3.650383 3.886584 4.063232 4.497672 3.851958 3.459887 4.196001 4.776074 5.240881 5.833536 6.081884 7.019690 5.606822 7.229602 6.055434 7.649746 7.632572 2.849506 2.604353 3.891461 2.360841 3.293012 7.976475 8.644235 1.401432 0.000000 4.283652 4.590963 4.594839 5.081416 5.098443 4.388486 4.380624 4.611360 4.961538 5.736525 6.173729 6.743383 7.411820 5.757956 7.896319 6.804738 8.197272 7.923025 2.907736 2.449750 3.813209 2.665545 3.624824 8.721708 9.199963 2.075685 1.104819 0.000000 4.362949 3.805486 4.178469 3.933745 4.652760 4.477515 3.905804 5.131513 5.778197 6.113386 6.754076 6.813914 7.872189 6.595185 7.924833 6.697044 8.407545 8.499566 3.920543 3.692672 4.959385 3.255513 4.035144 8.587617 9.367826 2.017236 1.097475 1.793593 0.000000 2.797317 2.825719 2.840912 3.426829 3.461177 2.795294 2.770094 3.606905 4.125561 4.843351 5.649314 5.610156 6.896652 5.524688 6.865282 5.442250 7.436546 7.618547 2.791635 2.350220 3.869867 2.722561 3.733615 7.567809 8.474484 2.084970 1.103421 1.792890 1.788354 0.000000 2.492872 3.597352 2.506937 4.632340 2.803261 1.444388 3.576556 3.089059 2.716428 4.565188 5.662036 5.129781 6.932477 5.709041 6.502718 4.702662 7.302456 7.793912 4.092162 3.459940 4.626982 5.044480 5.935898 7.097795 8.372972 5.259596 4.688432 4.931594 5.410126 3.655556 0.000000 2.779602 4.196609 3.241480 5.242984 3.599058 2.097118 3.978503 3.030099 2.462098 4.299784 5.388674 4.757174 6.572836 5.523242 6.063013 4.341044 6.870906 7.445273 4.479971 4.018087 4.809503 5.527364 6.300796 6.623014 7.908868 5.934051 5.553193 5.812955 6.334071 4.556912 1.099063 0.000000 2.868426 4.198875 3.206035 5.233935 3.520524 2.105450 4.031206 3.101691 2.518388 4.660965 5.550988 5.490824 6.896842 5.387019 6.848631 5.262586 7.468279 7.650218 3.572262 2.770860 4.036143 4.661718 5.605818 7.570752 8.552956 4.979935 4.358684 4.369503 5.189172 3.450338 1.099258 1.778944 0.000000 3.367533 3.894832 2.596120 4.813590 2.437936 2.077445 4.227366 4.160239 3.804450 5.617203 6.749292 6.078388 8.005990 6.803528 7.445867 5.534326 8.319221 8.882632 5.045464 4.309121 5.642066 5.921926 6.863138 7.960516 9.379647 5.961371 5.195822 5.417312 5.768081 4.128640 1.097233 1.792454 1.789865 0.000000 2.524453 2.484284 3.590564 2.758293 4.619994 3.588817 1.448122 3.225250 4.406985 3.300308 4.286184 3.242127 5.026168 4.821658 4.167539 3.006269 4.981797 5.941512 3.815060 4.318614 4.542676 3.316417 3.463347 4.601257 5.870283 3.152342 3.813935 4.802500 4.153347 3.513658 4.942512 5.253962 5.288786 5.659046 0.000000 2.636666 3.361799 4.265691 3.796834 5.339709 3.924661 2.083323 2.764125 3.976508 2.505517 3.289899 2.664218 4.011686 3.825147 3.515679 2.808521 4.112732 4.884634 3.265461 3.996036 3.802770 2.779748 2.703184 4.145173 5.029182 3.034163 3.963901 4.810710 4.501673 3.788825 5.116894 5.315835 5.313788 5.981591 1.092897 0.000000 3.202099 2.893689 4.071122 2.946958 5.042141 4.195014 2.107963 3.907239 5.075407 3.701363 4.721902 3.198451 5.230060 5.436441 3.902257 2.788320 4.884558 6.193087 4.827583 5.347583 5.468048 4.366366 4.386088 4.079741 5.661960 4.218547 4.868624 5.881874 5.111186 4.522234 5.549297 5.733183 6.047353 6.208011 1.100746 1.780973 0.000000 3.249242 2.724467 3.921864 2.706210 4.858871 4.140018 2.088948 4.006763 5.153261 4.196528 5.018574 4.277042 5.755042 5.413533 5.118685 4.102881 5.803977 6.571880 4.046022 4.506519 4.880412 3.233123 3.374529 5.550810 6.644351 2.671313 3.362853 4.414007 3.469178 3.312670 5.519584 5.995949 5.767569 6.155683 1.098864 1.777532 1.804082 0.000000 C14H20BN2O(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 0 222.97359999999998 AuxInfo=1/0/N:31,35,17,13,15,11,12,3,2,10,1,8,6,7;19,27,22,26/E:(1,2)(4,5)(6,7)(8,9)(13,14);/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;1.3,3.3/rA:38nC3C3C3HHNNBHC3C3C3C3HC3HC3HC3HHC3HHHOCHHHCHHHCHHH/rB:;s2;s2;s3;s1s3;s1s2;s1;s8;s8;s10;s10;s11;s11;s12;s12;s13s15;s13;;s19;s19;s19;s22;s15;s17;s22;s26;s27;s27;s27;s6;s31;s31;s31;s7;s35;s35;s35;/rC:-.8786,-.8639,.2343;-2.3226,-1.239,-1.4685;-2.9005,-1.7104,-.3385;-2.6833,-1.2228,-2.4926;-3.8595,-2.1966,-.1856;-2.0216,-1.4722,.6985;-1.0946,-.7123,-1.1161;.2706,-.3283,1.1124;.147,-.571,2.298;1.7624,-.2668,.553;2.7003,.691,.9791;2.2343,-1.2336,-.3563;4.0159,.6993,.5165;2.3995,1.4571,1.6991;3.5468,-1.2379,-.8264;1.5492,-2.0139,-.7039;4.447,-.2649,-.3939;4.7114,1.4641,.8719;-.4672,1.7604,1.3134;-1.3982,1.4981,1.8202;.367,1.9733,1.9828;-.4935,2.4661,.1308;.4093,2.9009,-.3037;3.8707,-2.0086,-1.5309;5.4771,-.2614,-.7581;-1.5336,2.5404,-.7357;-2.8023,2.1743,-.2664;-3.0969,2.7815,.6083;-3.5119,2.3554,-1.0837;-2.8503,1.1081,.0139;-2.2402,-1.848,2.076;-1.4111,-2.4722,2.4379;-2.3049,-.9604,2.7211;-3.1786,-2.4125,2.1453;-.2425,-.0143,-2.0563;.5616,.4878,-1.5124;.2062,-.7171,-2.7749;-.8305,.7474,-2.5869; 0.6193120 0.3053614 0.2675552 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= 369 369 369 369 369 MxSgAt= 38 MxSgA2= 38. 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= 369 369 369 369 369 MxSgAt= 38 MxSgA2= 38. 1 0.7837 Using compressed storage, NAtomX= 38. Will process 39 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111111111 Direct CPHF calculation. 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. 11451 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= 114 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= 114 NMatS0= 114 NMatT0= 0 NMatD0= 114 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 117 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 111 vectors produced by pass 0 Test12= 3.75D-14 1.00D-09 XBig12= 1.62D-01 1.26D-01. AX will form 111 AO Fock derivatives at one time. 111 vectors produced by pass 1 Test12= 3.75D-14 1.00D-09 XBig12= 2.56D-02 5.15D-02. 111 vectors produced by pass 2 Test12= 3.75D-14 1.00D-09 XBig12= 8.23D-04 4.92D-03. 111 vectors produced by pass 3 Test12= 3.75D-14 1.00D-09 XBig12= 1.64D-05 5.60D-04. 111 vectors produced by pass 4 Test12= 3.75D-14 1.00D-09 XBig12= 2.04D-07 6.87D-05. 111 vectors produced by pass 5 Test12= 3.75D-14 1.00D-09 XBig12= 2.20D-09 4.29D-06. 111 vectors produced by pass 6 Test12= 3.75D-14 1.00D-09 XBig12= 2.13D-11 4.70D-07. 64 vectors produced by pass 7 Test12= 3.75D-14 1.00D-09 XBig12= 1.63D-13 3.49D-08. 9 vectors produced by pass 8 Test12= 3.75D-14 1.00D-09 XBig12= 1.61D-15 4.08D-09. 1 vectors produced by pass 9 Test12= 3.75D-14 1.00D-09 XBig12= 6.63D-16 1.74D-09. InvSVY: IOpt=1 It= 1 EMax= 4.44D-16 Solved reduced A of dimension 851 with 117 vectors. End of Minotr F.D. properties file 721 does not exist. 0.000 0.000 0.000 0.000 0.000 0.000 220.989 21.143 222.236 -6.779 14.461 193.920 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 C C C H H N N B H C C C C H C H C H C H H C H H H O C H H H C H H H C H H H 13 13 13 1 1 14 14 11 1 13 13 13 13 1 13 1 13 1 13 1 1 13 1 1 1 17 13 1 1 1 13 1 1 1 13 1 1 1 -0.00988 -0.00180 -0.00380 -0.00035 -0.00012 0.03151 0.03373 0.07532 -0.00573 -0.02044 0.00768 0.01826 -0.00177 -0.00034 0.00005 -0.00003 0.00283 0.00015 -0.06553 0.00727 0.00583 0.10653 -0.00785 0.00008 -0.00021 0.03520 0.00004 0.00192 -0.00024 0.00141 -0.00319 0.00122 0.00175 0.00005 -0.00495 0.00018 0.00211 0.00143 -11.11105 -2.01870 -4.27291 -1.56761 -0.52896 10.18195 10.89935 108.03798 -25.61078 -22.97627 8.63709 20.53106 -1.98913 -1.51865 0.05097 -0.13816 3.17964 0.66145 -73.66459 32.51136 26.04615 119.76036 -35.07704 0.37467 -0.95879 -21.33882 0.04690 8.57692 -1.08883 6.32064 -3.58796 5.43462 7.83968 0.23588 -5.56487 0.78307 9.43249 6.40026 -3.96470 -0.72032 -1.52468 -0.55936 -0.18875 3.63317 3.88916 38.55064 -9.13856 -8.19850 3.08193 7.32599 -0.70977 -0.54189 0.01819 -0.04930 1.13458 0.23602 -26.28536 11.60086 9.29391 42.73347 -12.51636 0.13369 -0.34212 -7.61422 0.01673 3.06046 -0.38852 2.25536 -1.28027 1.93921 2.79739 0.08417 -1.98568 0.27942 3.36575 2.28377 -3.70625 -0.67336 -1.42529 -0.52290 -0.17644 3.39633 3.63563 36.03759 -8.54284 -7.66406 2.88102 6.84843 -0.66350 -0.50657 0.01700 -0.04608 1.06062 0.22064 -24.57186 10.84462 8.68806 39.94776 -11.70044 0.12498 -0.31982 -7.11786 0.01564 2.86095 -0.36320 2.10834 -1.19682 1.81280 2.61503 0.07868 -1.85624 0.26121 3.14634 2.13490 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 -0.002744 -0.003960 0.002093 -0.001218 0.002050 -0.026818 -0.056435 -0.066177 -0.015642 0.002482 0.002043 -0.002857 0.005366 0.001766 0.006900 0.001725 -0.003748 0.001554 0.056334 -0.010252 -0.008425 -0.229788 0.019941 0.001178 0.001835 -0.179035 0.009147 0.006697 0.005086 0.003721 0.000370 -0.001335 -0.000157 0.000452 -0.001890 -0.002097 -0.001110 -0.003842 0.062089 0.012417 0.001960 -0.001058 -0.000340 0.130286 0.170410 0.155294 0.000117 0.001184 -0.008704 -0.006532 -0.000443 -0.000404 -0.000847 -0.000485 -0.002613 -0.000677 -0.134103 0.003411 0.002725 0.373127 0.002593 -0.000473 -0.001295 0.295012 -0.003442 -0.003009 -0.002170 0.000635 -0.002218 -0.000179 -0.002121 -0.000394 -0.001467 0.000723 -0.001658 -0.000275 -0.059345 -0.008457 -0.004054 0.002276 -0.001710 -0.103468 -0.113975 -0.089117 0.015525 -0.003667 0.006662 0.009389 -0.004922 -0.001362 -0.006053 -0.001240 0.006361 -0.000877 0.077769 0.006841 0.005701 -0.143339 -0.022534 -0.000705 -0.000540 -0.115977 -0.005705 -0.003688 -0.002916 -0.004356 0.001848 0.001514 0.002278 -0.000059 0.003357 0.001374 0.002768 0.004116 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 -0.085805 -0.007246 -0.001780 0.000375 0.002361 -0.136992 -0.148342 -0.074297 -0.003677 0.003617 -0.002222 -0.001615 0.001328 0.000702 -0.000433 -0.002160 -0.004353 -0.000013 0.069021 -0.002373 -0.002233 -0.218258 0.017288 -0.000606 -0.000379 -0.080338 0.004694 -0.000780 -0.000163 0.001770 0.001828 0.001946 0.000764 0.001918 0.001722 -0.000373 -0.000280 0.000344 -0.000913 0.001591 0.002449 0.002756 0.000318 -0.026878 -0.030115 0.002907 0.000588 -0.000198 0.012452 -0.004947 -0.002652 0.002492 -0.002077 -0.001486 0.005681 -0.000087 0.019517 0.003773 -0.004609 -0.116220 -0.029072 -0.000753 -0.000744 -0.048796 -0.000180 -0.002739 0.002647 -0.000712 -0.002938 -0.001469 -0.003220 -0.002461 -0.000948 -0.004107 -0.002409 -0.000263 -0.001395 0.005002 -0.000791 0.000846 -0.000172 0.044750 0.065118 0.001537 -0.006104 0.007951 -0.005410 -0.007881 0.004785 0.000845 0.004510 0.003061 -0.009928 0.000135 -0.080989 -0.002625 -0.006004 0.340594 0.002490 0.000323 -0.000405 0.218828 -0.001737 0.000412 0.000216 -0.000715 -0.001704 -0.003728 -0.000764 -0.001885 0.000864 0.001740 0.000761 0.000514 0.7484 0.519 0.413 -0.3416 -0.2322 0.9107 -0.5686 0.8226 -0.0035 -0.0628 -0.0586 0.1214 -8.421 -7.87 16.291 -3.005 -2.808 5.813 -2.809 -2.625 5.434 1 C 13 -0.4866 -0.3192 0.8132 0.8105 0.1826 0.5566 -0.3261 0.9299 0.1699 -0.0114 -0.0045 0.0159 -1.526 -0.604 2.13 -0.545 -0.215 0.76 -0.509 -0.201 0.71 2 C 13 -0.3242 0.0249 0.9457 0.5872 0.789 0.1805 0.7417 -0.6138 0.2704 -0.0049 5.0E-4 0.0045 -0.659 0.061 0.598 -0.235 0.022 0.214 -0.22 0.02 0.2 3 C 13 0.8715 0.0513 -0.4877 -0.1324 0.9822 -0.1333 0.4722 0.1807 0.8628 -0.0027 -0.0012 0.004 -1.461 -0.653 2.114 -0.521 -0.233 0.754 -0.487 -0.218 0.705 4 H 1 -0.4101 0.6261 0.6632 0.3242 -0.5796 0.7476 0.8525 0.5216 0.0347 -0.0021 -0.0014 0.0035 -1.104 -0.767 1.872 -0.394 -0.274 0.668 -0.368 -0.256 0.624 5 H 1 0.1983 -0.0685 0.9777 0.8459 0.5159 -0.1354 -0.4952 0.8539 0.1602 -0.1121 -0.1061 0.2181 -4.322 -4.091 8.412 -1.542 -1.46 3.002 -1.442 -1.365 2.806 6 N 14 0.7251 0.4665 -0.5065 0.5345 0.0825 0.8411 -0.4342 0.8806 0.1895 -0.1308 -0.1267 0.2576 -5.046 -4.887 9.934 -1.801 -1.744 3.545 -1.683 -1.63 3.314 7 N 14 -0.6587 -0.2022 0.7247 0.6938 0.2095 0.689 -0.2912 0.9567 0.0023 -0.0922 -0.0857 0.1779 -15.784 -14.677 30.461 -5.632 -5.237 10.869 -5.265 -4.896 10.161 8 B 11 0.974 0.225 0.025 -0.22 0.9143 0.34 0.0536 -0.3367 0.9401 -0.0165 -0.0013 0.0177 -8.791 -0.677 9.468 -3.137 -0.242 3.378 -2.932 -0.226 3.158 9 H 1 0.1887 -0.6089 0.7705 0.8775 -0.2478 -0.4107 0.441 0.7536 0.4875 -0.01 0.0016 0.0084 -1.342 0.209 1.133 -0.479 0.074 0.404 -0.448 0.07 0.378 10 C 13 -0.3122 0.8238 0.4732 0.7237 0.5289 -0.4433 0.6155 -0.2041 0.7613 -0.011 -0.0072 0.0182 -1.472 -0.968 2.44 -0.525 -0.345 0.87 -0.491 -0.323 0.814 11 C 13 0.3992 0.8205 0.4091 0.8848 -0.4618 0.0628 -0.2404 -0.3369 0.9103 -0.0112 -0.0024 0.0136 -1.509 -0.317 1.827 -0.539 -0.113 0.652 -0.503 -0.106 0.609 12 C 13 0.2069 -0.5204 0.8285 0.0833 0.8531 0.515 0.9748 0.0375 -0.2199 -0.0086 0.0026 0.006 -1.153 0.346 0.807 -0.411 0.123 0.288 -0.384 0.115 0.269 13 C 13 -0.4496 -0.1763 0.8756 -0.3128 0.9493 0.0305 0.8367 0.2602 0.482 -0.0028 -6.0E-4 0.0034 -1.5 -0.325 1.825 -0.535 -0.116 0.651 -0.501 -0.108 0.609 14 H 1 0.1013 -0.4857 0.8682 0.239 0.859 0.4527 0.9657 -0.1617 -0.2031 -0.0088 0.0014 0.0074 -1.183 0.189 0.994 -0.422 0.067 0.355 -0.395 0.063 0.332 15 C 13 -0.0688 -0.6823 0.7279 0.7362 0.4577 0.4986 0.6733 -0.5701 -0.4708 -0.004 -6.0E-4 0.0046 -2.117 -0.333 2.451 -0.755 -0.119 0.874 -0.706 -0.111 0.817 16 H 1 0.1851 0.8568 0.4812 0.9187 0.023 -0.3943 0.3489 -0.5151 0.7829 -0.0091 -0.0063 0.0154 -1.225 -0.845 2.07 -0.437 -0.301 0.739 -0.409 -0.282 0.69 17 C 13 0.0288 -0.4452 0.8949 0.023 0.8954 0.4447 0.9993 -0.0078 -0.036 -9.0E-4 -6.0E-4 0.0016 -0.505 -0.326 0.831 -0.18 -0.116 0.296 -0.168 -0.109 0.277 18 H 1 -0.2868 0.9086 0.3037 0.9504 0.2301 0.2091 -0.1201 -0.3486 0.9295 -0.183 0.0773 0.1056 -24.552 10.379 14.173 -8.761 3.703 5.057 -8.19 3.462 4.728 19 C 13 0.9748 0.1245 -0.185 -0.0189 0.8728 0.4877 0.2222 -0.4719 0.8532 -0.0113 0.002 0.0093 -6.014 1.065 4.949 -2.146 0.38 1.766 -2.006 0.355 1.651 20 H 1 0.8872 0.2983 0.352 -0.4432 0.7627 0.471 -0.128 -0.5739 0.8089 -0.011 3.0E-4 0.0107 -5.872 0.168 5.704 -2.095 0.06 2.035 -1.959 0.056 1.903 21 H 1 0.4229 -0.2904 0.8584 0.8615 0.4225 -0.2815 -0.2809 0.8586 0.4289 -0.3158 -0.2988 0.6147 -42.38 -40.103 82.482 -15.122 -14.31 29.432 -14.136 -13.377 27.513 22 C 13 0.4804 -0.2451 0.8421 -0.2143 0.8982 0.3837 0.8505 0.3648 -0.379 -0.0398 -5.0E-4 0.0403 -21.258 -0.25 21.508 -7.586 -0.089 7.675 -7.091 -0.083 7.174 23 H 1 0.2388 -0.2922 0.9261 0.3769 0.9068 0.1889 0.8949 -0.304 -0.3267 -0.001 -7.0E-4 0.0017 -0.534 -0.351 0.885 -0.191 -0.125 0.316 -0.178 -0.117 0.295 24 H 1 0.1964 0.8623 0.4668 0.1905 -0.5006 0.8445 0.9618 -0.0769 -0.2626 -0.0016 -5.0E-4 0.0021 -0.854 -0.249 1.104 -0.305 -0.089 0.394 -0.285 -0.083 0.368 25 H 1 0.4684 -0.2838 0.8367 0.8694 0.317 -0.3791 -0.1576 0.905 0.3952 -0.2175 -0.187 0.4046 15.74 13.535 -29.274 5.616 4.829 -10.446 5.25 4.515 -9.765 26 O 17 -0.1659 0.6006 0.7822 -0.2759 0.7332 -0.6215 0.9468 0.3189 -0.0441 -0.007 -0.0037 0.0107 -0.939 -0.501 1.441 -0.335 -0.179 0.514 -0.313 -0.167 0.481 27 C 13 0.2262 -0.1576 0.9612 0.1165 0.9841 0.134 0.9671 -0.0817 -0.241 -0.0044 -0.003 0.0074 -2.347 -1.625 3.972 -0.838 -0.58 1.417 -0.783 -0.542 1.325 28 H 1 -0.2859 -0.1585 0.9451 -0.0346 0.9873 0.1551 0.9576 -0.0116 0.2878 -0.0038 -0.0021 0.0059 -2.002 -1.137 3.139 -0.714 -0.406 1.12 -0.668 -0.379 1.047 29 H 1 0.0606 0.1175 0.9912 -0.4275 0.9004 -0.0806 0.902 0.4188 -0.1048 -0.0045 -1.0E-4 0.0046 -2.393 -0.075 2.468 -0.854 -0.027 0.881 -0.798 -0.025 0.823 30 H 1 -0.4134 0.9081 0.0662 0.6883 0.2641 0.6756 -0.596 -0.3249 0.7343 -0.0032 -0.0018 0.005 -0.426 -0.243 0.669 -0.152 -0.087 0.239 -0.142 -0.081 0.223 31 C 13 -0.3982 0.785 0.4746 0.8536 0.1278 0.505 -0.3357 -0.6062 0.721 -0.0034 -0.0019 0.0053 -1.825 -1.021 2.845 -0.651 -0.364 1.015 -0.609 -0.34 0.949 32 H 1 0.7 -0.6098 0.3717 0.4367 0.7773 0.4529 -0.5651 -0.1547 0.8104 -0.0025 -0.0021 0.0047 -1.351 -1.14 2.491 -0.482 -0.407 0.889 -0.451 -0.38 0.831 33 H 1 0.5474 0.2409 0.8014 -0.5437 0.8304 0.1217 0.6362 0.5024 -0.5856 -0.0023 -0.0019 0.0042 -1.23 -1.028 2.258 -0.439 -0.367 0.806 -0.41 -0.343 0.753 34 H 1 0.7362 -0.6524 0.1801 0.6639 0.7478 -0.005 -0.1314 0.1233 0.9836 -0.0036 1.0E-4 0.0036 -0.49 0.008 0.482 -0.175 0.003 0.172 -0.163 0.003 0.161 35 C 13 0.8147 -0.1215 0.567 0.3115 0.9164 -0.2513 -0.4891 0.3814 0.7844 -0.0049 1.0E-4 0.0048 -2.614 0.064 2.55 -0.933 0.023 0.91 -0.872 0.021 0.851 36 H 1 0.8837 -0.1471 0.4444 0.1938 0.9791 -0.0614 -0.4261 0.1404 0.8937 -0.0023 -0.0018 0.004 -1.214 -0.94 2.153 -0.433 -0.335 0.768 -0.405 -0.313 0.718 37 H 1 -2.02013439e+00 -7.38353343e-01 -5.64032898e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 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 6 6 6 1 1 7 7 5 1 6 6 6 6 1 6 1 6 1 6 1 1 6 1 1 1 8 6 1 1 1 6 1 1 1 6 1 1 1 0.000000460 -0.000002398 0.000001629 0.000002541 0.000007270 -0.000002464 -0.000000520 -0.000006941 0.000002288 0.000001547 0.000001031 -0.000001513 0.000001013 0.000001841 -0.000001486 0.000001016 0.000008411 -0.000005007 0.000002058 -0.000002547 0.000002232 0.002365586 0.006513755 -0.000671188 0.000002082 -0.000000691 0.000000708 -0.000000007 -0.000008310 -0.000000138 -0.000002562 0.000001477 0.000002474 0.000001317 0.000002266 -0.000000163 0.000003372 0.000000500 -0.000001258 -0.000001462 -0.000001165 -0.000000222 -0.000000783 -0.000001010 0.000000893 0.000001125 -0.000001293 0.000000199 -0.000000702 -0.000005173 0.000003327 -0.000001314 -0.000001953 0.000001462 -0.002372380 -0.006513658 0.000668107 -0.000001183 0.000001186 -0.000000453 -0.000001717 0.000001154 -0.000000425 -0.000001076 0.000005188 -0.000002392 0.000000011 -0.000004741 0.000001550 0.000001482 -0.000001711 0.000000829 0.000000718 -0.000001985 0.000002054 0.000002720 0.000003181 0.000000365 -0.000001937 0.000001893 0.000000576 -0.000001246 0.000001258 -0.000000579 -0.000000148 0.000000336 -0.000001013 0.000000590 0.000001176 -0.000001501 0.000000515 -0.000000464 0.000001909 -0.000000537 0.000000471 -0.000001133 -0.000001205 0.000000601 -0.000001237 0.000000214 0.000002399 -0.000001068 -0.000001231 -0.000000404 -0.000000673 0.000000836 -0.000001244 0.000005142 -0.000000548 0.000000353 -0.000001052 0.000001358 -0.000000060 -0.000000778 0.006513755 0.000922327 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 0.7823 0.7830 0.7826 0.7824 0.7825 0.7824 0.7814 0.7820 0.7829 0.7825 0.7824 0.7824 0.7826 0.7826 0.7822 0.7825 0.7825 0.7823 0.7825 0.7823 0.7824 0.7824 0.7823 0.7838 0.7838 0.7838 0.7819 0.7830 0.7824 0.7825 0.7821 0.7825 0.7825 0.7834 0.7828 0.7829 0.7825 0.7825 0.7824 0.7824 0.7819 0.7821 0.7824 0.7826 0.7825 0.7825 0.7822 0.7824 0.7824 0.7823 0.7825 0.7824 0.7824 0.7824 open 1 0 1 -754.248962750047 -754.249093377670 -0.000130627623 -754.249104189959 -0.000010812289 -754.249125587618 -0.000021397659 -754.249126935808 -0.000001348189 -754.249127093819 -0.000000158011 -754.249127243560 -0.000000149742 -754.249127247873 -0.000000004312 -754.249127250579 -0.000000002707 -754.249127251798 -0.000000001218 -754.249127252676 -0.000000000879 -754.249127253024 -0.000000000348 -754.249127253084 -0.000000000060 -754.249127253099 -0.000000000015 -754.249127253 14 0.7824 7.458091871087e+02 -4.399806390869e+03 1.574072169615e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572580802 LenY= 1572443461 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. Integral accuracy reduced to 1.0D-05 until final iterations. 0.7824 (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 C C C H H N N B H C C C C H C H C H C H H C H H H O C H H H C H H H C H H H 13 13 13 1 1 14 14 11 1 13 13 13 13 1 13 1 13 1 13 1 1 13 1 1 1 17 13 1 1 1 13 1 1 1 13 1 1 1 -0.00884 -0.00207 -0.00433 -0.00039 -0.00013 0.03588 0.03780 0.07263 -0.00604 -0.02258 0.00912 0.01856 -0.00305 -0.00047 -0.00152 -0.00014 0.00446 0.00020 -0.05562 0.00683 0.00553 0.09041 -0.00688 0.00014 -0.00035 0.03187 -0.00069 0.00174 -0.00021 0.00127 -0.00359 0.00139 0.00204 0.00007 -0.00564 0.00024 0.00244 0.00160 -9.93394 -2.32954 -4.87236 -1.73743 -0.59917 11.59183 12.21387 104.18134 -27.00793 -25.38255 10.24786 20.85943 -3.43331 -2.09114 -1.70855 -0.64511 5.01601 0.91489 -62.53162 30.54626 24.72747 101.63730 -30.74040 0.63530 -1.55153 -19.32184 -0.77745 7.79427 -0.92139 5.68056 -4.03780 6.23226 9.10003 0.31412 -6.34413 1.07066 10.89199 7.16674 -3.54468 -0.83124 -1.73858 -0.61996 -0.21380 4.13625 4.35821 37.17449 -9.63710 -9.05712 3.65669 7.44316 -1.22509 -0.74617 -0.60965 -0.23019 1.78984 0.32646 -22.31284 10.89966 8.82338 36.26671 -10.96894 0.22669 -0.55363 -6.89451 -0.27741 2.78119 -0.32877 2.02697 -1.44079 2.22382 3.24712 0.11208 -2.26374 0.38204 3.88653 2.55727 -3.31361 -0.77705 -1.62524 -0.57954 -0.19986 3.86662 4.07411 34.75115 -9.00888 -8.46671 3.41832 6.95796 -1.14523 -0.69753 -0.56991 -0.21519 1.67316 0.30517 -20.85830 10.18913 8.24820 33.90255 -10.25390 0.21191 -0.51754 -6.44507 -0.25933 2.59989 -0.30734 1.89483 -1.34687 2.07886 3.03544 0.10478 -2.11617 0.35713 3.63318 2.39057 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 -0.010408 -0.004678 0.002501 -0.001180 0.002347 -0.031301 -0.065387 -0.070254 -0.016334 0.005546 -0.001105 -0.006796 0.007057 0.000962 0.008651 0.002024 -0.007397 0.001509 0.059700 -0.009550 -0.009030 -0.210230 0.015708 0.001452 0.002370 -0.161881 0.007749 0.005403 0.004583 0.003410 0.000370 -0.001479 -0.000334 0.000414 -0.001848 -0.002140 -0.001132 -0.003816 0.081443 0.013951 0.001962 -0.001297 -0.000493 0.147971 0.190067 0.164529 -0.000859 -0.001339 -0.008462 -0.005501 -0.001647 -0.000317 -0.001820 -0.001435 -0.000428 -0.000730 -0.134755 0.003508 0.003839 0.330194 0.002760 -0.000668 -0.001640 0.261974 -0.002669 -0.002276 -0.001745 0.000798 -0.002809 -0.000380 -0.002485 -0.000519 -0.001813 0.000489 -0.002029 -0.000270 -0.071035 -0.009273 -0.004463 0.002476 -0.001855 -0.116671 -0.124680 -0.094276 0.017192 -0.004207 0.009566 0.012297 -0.005411 -0.000645 -0.006831 -0.000589 0.007825 -0.000779 0.075056 0.006042 0.005190 -0.119965 -0.018468 -0.000784 -0.000730 -0.100093 -0.005080 -0.003127 -0.002838 -0.004208 0.002439 0.001860 0.002819 0.000105 0.003661 0.001651 0.003160 0.004087 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 -0.099195 -0.007633 -0.001987 0.000333 0.002548 -0.156646 -0.165031 -0.077221 -0.003751 0.005219 -0.006062 -0.001588 0.002560 0.000765 0.000761 -0.001863 -0.006979 -0.000086 0.064367 -0.003491 -0.001549 -0.174173 0.015422 -0.000398 -0.000439 -0.067604 0.003332 -0.000859 -0.000376 0.000766 0.001843 0.002036 0.000640 0.002047 0.002052 0.000170 -0.000154 0.000447 -0.003709 0.001779 0.002784 0.003121 0.000307 -0.033449 -0.037704 0.005456 0.000942 -0.000696 0.015678 -0.003766 -0.003929 0.002205 -0.003193 -0.001451 0.007845 -0.000233 0.019798 0.004471 -0.004774 -0.094592 -0.025915 -0.000821 -0.001038 -0.042563 -0.000626 -0.002776 0.002114 -0.000780 -0.003259 -0.001552 -0.003415 -0.002770 -0.001308 -0.004138 -0.002546 -0.000141 0.004843 0.005651 -0.001016 0.000735 -0.000249 0.055541 0.080994 -0.004642 -0.005261 0.012111 -0.012474 -0.014985 0.008108 0.001355 0.007726 0.003199 -0.017102 0.000220 -0.083216 -0.001468 -0.004806 0.302697 0.001674 0.000280 -0.000762 0.197956 -0.001743 0.000378 0.000085 -0.000784 -0.001899 -0.004178 -0.000656 -0.002139 0.000064 0.000931 0.000504 -0.000265 0.8303 0.5243 0.189 -0.1444 -0.1251 0.9816 -0.5383 0.8423 0.0281 -0.0739 -0.0711 0.145 -9.916 -9.542 19.457 -3.538 -3.405 6.943 -3.308 -3.183 6.49 1 C 13 -0.49 -0.3147 0.813 0.8158 0.1632 0.5548 -0.3073 0.9351 0.1768 -0.0125 -0.005 0.0175 -1.682 -0.67 2.352 -0.6 -0.239 0.839 -0.561 -0.224 0.785 2 C 13 -0.3203 0.0439 0.9463 0.5632 0.812 0.153 0.7617 -0.582 0.2848 -0.0055 4.0E-4 0.0051 -0.732 0.053 0.679 -0.261 0.019 0.242 -0.244 0.018 0.227 3 C 13 0.8639 0.0481 -0.5014 -0.1116 0.989 -0.0975 0.4911 0.1402 0.8597 -0.003 -0.0014 0.0044 -1.586 -0.751 2.336 -0.566 -0.268 0.834 -0.529 -0.25 0.779 4 H 1 -0.4007 0.6536 0.6421 0.3084 -0.5637 0.7662 0.8627 0.5051 0.0243 -0.0023 -0.0015 0.0038 -1.227 -0.826 2.053 -0.438 -0.295 0.732 -0.409 -0.275 0.685 5 H 1 0.2321 -0.0635 0.9706 0.8376 0.5203 -0.1663 -0.4945 0.8516 0.174 -0.1283 -0.122 0.2503 -4.948 -4.704 9.652 -1.766 -1.678 3.444 -1.651 -1.569 3.22 6 N 14 0.7512 0.477 -0.4562 0.501 0.038 0.8646 -0.4298 0.8781 0.2105 -0.1473 -0.143 0.2903 -5.68 -5.514 11.194 -2.027 -1.968 3.994 -1.895 -1.839 3.734 7 N 14 -0.636 -0.1739 0.7518 0.7163 0.2294 0.659 -0.2871 0.9577 -0.0213 -0.0978 -0.09 0.1878 -16.748 -15.403 32.15 -5.976 -5.496 11.472 -5.586 -5.138 10.724 8 B 11 0.9741 0.2262 0.0079 -0.2196 0.9362 0.2743 0.0546 -0.2689 0.9616 -0.0172 -0.0015 0.0187 -9.176 -0.811 9.986 -3.274 -0.289 3.563 -3.061 -0.27 3.331 9 H 1 0.1881 -0.6714 0.7168 0.8256 -0.2873 -0.4857 0.532 0.6832 0.5002 -0.0157 0.0041 0.0116 -2.111 0.556 1.556 -0.753 0.198 0.555 -0.704 0.185 0.519 10 C 13 -0.3035 0.7624 0.5715 0.7964 0.5323 -0.287 0.523 -0.3681 0.7688 -0.0154 -0.0108 0.0262 -2.066 -1.45 3.516 -0.737 -0.517 1.255 -0.689 -0.484 1.173 11 C 13 0.3629 0.7972 0.4825 0.9275 -0.359 -0.1044 -0.0899 -0.4854 0.8696 -0.0153 -0.0058 0.0211 -2.052 -0.773 2.825 -0.732 -0.276 1.008 -0.685 -0.258 0.942 12 C 13 0.2274 -0.6013 0.7659 0.1201 0.7979 0.5908 0.9664 0.0424 -0.2537 -0.0129 0.0047 0.0082 -1.737 0.636 1.1 -0.62 0.227 0.393 -0.579 0.212 0.367 13 C 13 -0.4484 -0.3594 0.8184 -0.5218 0.8487 0.0868 0.7257 0.3881 0.5681 -0.0024 -6.0E-4 0.0031 -1.307 -0.346 1.653 -0.466 -0.124 0.59 -0.436 -0.116 0.551 14 H 1 0.14 -0.5736 0.8071 0.2156 0.8132 0.5406 0.9664 -0.0984 -0.2375 -0.0129 0.0035 0.0094 -1.728 0.472 1.256 -0.617 0.168 0.448 -0.576 0.157 0.419 15 C 13 0.081 0.7683 -0.6349 0.7157 0.3985 0.5735 0.6937 -0.5009 -0.5176 -0.0043 -2.0E-4 0.0045 -2.281 -0.094 2.375 -0.814 -0.033 0.847 -0.761 -0.031 0.792 16 H 1 0.1769 0.8047 0.5668 0.934 0.0444 -0.3545 0.3104 -0.5921 0.7437 -0.014 -0.0107 0.0247 -1.88 -1.437 3.316 -0.671 -0.513 1.183 -0.627 -0.479 1.106 17 C 13 0.0487 -0.6476 0.7604 0.1041 0.7605 0.6409 0.9934 -0.0479 -0.1045 -0.001 -6.0E-4 0.0015 -0.523 -0.297 0.82 -0.187 -0.106 0.293 -0.175 -0.099 0.274 18 H 1 -0.2678 0.9106 0.3148 0.9593 0.2217 0.1748 -0.0894 -0.3489 0.9329 -0.1825 0.0782 0.1043 -24.484 10.491 13.993 -8.737 3.743 4.993 -8.167 3.499 4.668 19 C 13 0.9527 0.2013 -0.2278 -0.0637 0.8649 0.4979 0.2972 -0.4598 0.8368 -0.0114 0.0029 0.0084 -6.059 1.558 4.501 -2.162 0.556 1.606 -2.021 0.52 1.501 20 H 1 0.922 0.2021 0.3303 -0.3568 0.7749 0.5217 -0.1505 -0.5989 0.7866 -0.0111 0.0013 0.0098 -5.911 0.703 5.209 -2.109 0.251 1.859 -1.972 0.234 1.737 21 H 1 0.4312 -0.3012 0.8505 0.8649 0.4064 -0.2945 -0.2569 0.8626 0.4358 -0.2751 -0.2599 0.535 -36.92 -34.87 71.79 -13.174 -12.443 25.617 -12.315 -11.632 23.947 22 C 13 0.5019 -0.2441 0.8298 -0.2195 0.892 0.3952 0.8366 0.3805 -0.3941 -0.0346 -3.0E-4 0.0349 -18.48 -0.157 18.637 -6.594 -0.056 6.65 -6.164 -0.052 6.217 23 H 1 0.2329 -0.3628 0.9023 0.2812 0.9133 0.2947 0.9309 -0.1851 -0.3148 -0.0011 -7.0E-4 0.0018 -0.592 -0.374 0.965 -0.211 -0.133 0.344 -0.197 -0.125 0.322 24 H 1 0.1994 0.8155 0.5434 0.2023 -0.5768 0.7914 0.9588 -0.0479 -0.28 -0.0023 -4.0E-4 0.0027 -1.203 -0.235 1.438 -0.429 -0.084 0.513 -0.401 -0.078 0.48 25 H 1 0.4928 -0.2841 0.8225 0.8572 0.3208 -0.4028 -0.1495 0.9035 0.4016 -0.194 -0.1672 0.3611 14.035 12.097 -26.132 5.008 4.317 -9.324 4.681 4.035 -8.717 26 O 17 -0.0865 0.519 0.8504 -0.2869 0.8044 -0.5202 0.9541 0.289 -0.0793 -0.0061 -0.0027 0.0088 -0.816 -0.366 1.182 -0.291 -0.131 0.422 -0.272 -0.122 0.394 27 C 13 0.2772 -0.0739 0.958 0.1241 0.9914 0.0406 0.9528 -0.1076 -0.284 -0.004 -0.0024 0.0063 -2.113 -1.263 3.376 -0.754 -0.451 1.205 -0.705 -0.421 1.126 28 H 1 -0.2587 -0.1068 0.96 0.0203 0.993 0.116 0.9658 -0.0495 0.2547 -0.0034 -0.0017 0.0052 -1.823 -0.93 2.753 -0.65 -0.332 0.982 -0.608 -0.31 0.918 29 H 1 0.0853 0.1367 0.9869 -0.2937 0.95 -0.1062 0.9521 0.2808 -0.1212 -0.0044 6.0E-4 0.0037 -2.339 0.346 1.993 -0.835 0.124 0.711 -0.78 0.115 0.665 30 H 1 -0.3346 0.9357 0.1119 0.7464 0.1906 0.6376 -0.5753 -0.2969 0.7622 -0.0037 -0.0019 0.0056 -0.496 -0.261 0.757 -0.177 -0.093 0.27 -0.165 -0.087 0.252 31 C 13 -0.3671 0.7955 0.4822 0.8737 0.1169 0.4722 -0.3193 -0.5946 0.7379 -0.0039 -0.002 0.0059 -2.055 -1.091 3.147 -0.733 -0.389 1.123 -0.686 -0.364 1.05 32 H 1 -0.5834 0.7668 -0.2677 0.6088 0.631 0.4808 -0.5376 -0.1175 0.835 -0.0027 -0.0024 0.0051 -1.463 -1.263 2.727 -0.522 -0.451 0.973 -0.488 -0.421 0.909 33 H 1 0.5374 0.2905 0.7917 -0.5658 0.8203 0.083 0.6253 0.4926 -0.6052 -0.0026 -0.0021 0.0047 -1.366 -1.146 2.512 -0.487 -0.409 0.896 -0.456 -0.382 0.838 34 H 1 0.7227 -0.6791 0.1289 0.6469 0.7302 0.2198 -0.2434 -0.0754 0.967 -0.004 0.0 0.004 -0.538 0.003 0.535 -0.192 0.001 0.191 -0.179 0.001 0.178 35 C 13 0.8305 -0.1207 0.5438 0.1958 0.9772 -0.0822 -0.5215 0.1748 0.8352 -0.0049 4.0E-4 0.0044 -2.601 0.237 2.364 -0.928 0.085 0.843 -0.868 0.079 0.788 36 H 1 0.8657 -0.264 0.4253 0.2732 0.9611 0.0405 -0.4194 0.0812 0.9042 -0.0023 -0.0021 0.0044 -1.246 -1.094 2.341 -0.445 -0.391 0.835 -0.416 -0.365 0.781 37 H 1 PT74495.300S Tue Oct 8 11:59:21 2024 -19.27954 -14.50954 -14.50658 -10.34748 -10.34717 -10.34587 -10.34511 -10.34107 -10.33330 -10.33132 -10.28006 -10.27949 -10.27903 -10.27838 -10.27584 -10.27461 -10.26077 -6.79854 -1.15236 -1.13810 -1.02871 -0.92171 -0.88419 -0.84469 -0.83987 -0.81139 -0.81006 -0.78735 -0.78424 -0.71084 -0.69337 -0.66557 -0.66254 -0.65272 -0.63586 -0.59672 -0.58944 -0.58620 -0.56322 -0.55443 -0.55322 -0.54304 -0.53946 -0.53610 -0.53534 -0.51181 -0.50726 -0.49283 -0.48765 -0.47990 -0.47873 -0.47647 -0.45934 -0.44365 -0.43572 -0.42940 -0.40841 -0.40044 -0.39128 -0.37835 -0.36384 -0.35605 -0.31423 -0.30823 -0.29174 -0.16857 0.07019 0.08062 0.08284 0.09001 0.13015 0.14421 0.14699 0.16153 0.17243 0.17655 0.18465 0.18779 0.19576 0.19843 0.20314 0.20971 0.21221 0.21837 0.22109 0.23016 0.23550 0.23926 0.24315 0.24816 0.25364 0.26424 0.28474 0.29068 0.30034 0.31096 0.31778 0.33190 0.35200 0.35572 0.37686 0.39131 0.39644 0.40414 0.40929 0.41560 0.43085 0.44310 0.44521 0.44664 0.47656 0.47764 0.49283 0.49840 0.51284 0.52253 0.52437 0.53851 0.54127 0.54959 0.55133 0.56495 0.56773 0.57649 0.58076 0.58767 0.59985 0.60184 0.61434 0.61760 0.64311 0.65838 0.66512 0.67066 0.67739 0.68479 0.69316 0.70061 0.70478 0.70565 0.71321 0.72034 0.73060 0.73498 0.73900 0.73975 0.74604 0.75095 0.75684 0.75999 0.76423 0.77028 0.77262 0.77751 0.78640 0.79366 0.79896 0.80199 0.80671 0.81068 0.82418 0.82853 0.84088 0.84644 0.85206 0.86544 0.87813 0.88102 0.89165 0.90190 0.90773 0.91910 0.92794 0.93719 0.94544 0.96354 0.97540 1.00509 1.01642 1.02187 1.05132 1.06432 1.07328 1.08843 1.10788 1.13145 1.14719 1.16740 1.17784 1.20574 1.21489 1.22426 1.22953 1.26753 1.27912 1.29774 1.30480 1.31508 1.32808 1.34028 1.34696 1.34996 1.35551 1.37463 1.38033 1.38811 1.40156 1.40351 1.42885 1.43083 1.44611 1.47324 1.48400 1.51620 1.57136 1.57377 1.59687 1.60674 1.61811 1.61871 1.63857 1.65099 1.66792 1.67518 1.67925 1.69953 1.72161 1.73219 1.74061 1.76113 1.77660 1.78698 1.79106 1.79643 1.81758 1.82645 1.84153 1.84450 1.85603 1.85679 1.86441 1.87256 1.87609 1.87879 1.88427 1.88938 1.89248 1.90198 1.90794 1.90891 1.92719 1.93207 1.94581 1.95197 1.96136 1.96812 1.97205 1.98334 1.99084 2.00084 2.01805 2.02103 2.02779 2.04289 2.05266 2.08439 2.08652 2.09428 2.09999 2.10831 2.11987 2.12752 2.14947 2.15523 2.16768 2.18604 2.19273 2.20767 2.21643 2.22527 2.25364 2.26240 2.26777 2.28557 2.32079 2.32450 2.33700 2.35161 2.35496 2.37302 2.39730 2.41171 2.41963 2.42405 2.42839 2.44794 2.45187 2.46145 2.47634 2.49717 2.50131 2.50776 2.51603 2.53581 2.54558 2.58244 2.61138 2.61167 2.65284 2.66684 2.72096 2.72787 2.73792 2.74142 2.75221 2.76557 2.77586 2.79657 2.81283 2.81967 2.83402 2.84573 2.86963 2.88529 2.90397 2.90951 2.92190 2.93730 2.95019 2.97849 2.98070 2.99514 2.99648 3.01653 3.01887 3.02698 3.04828 3.07381 3.10989 3.16442 3.16892 3.19149 3.22623 3.22902 3.27512 3.33671 3.43349 3.48245 3.56218 3.59546 3.65637 3.72320 -19.27765 -14.50752 -14.50427 -10.34758 -10.34616 -10.34593 -10.34513 -10.34094 -10.33342 -10.32555 -10.28089 -10.28017 -10.27959 -10.27881 -10.27544 -10.27425 -10.26129 -6.79561 -1.14689 -1.13449 -1.02413 -0.92133 -0.88248 -0.84078 -0.83479 -0.81096 -0.80933 -0.78682 -0.78427 -0.70940 -0.68788 -0.66451 -0.66156 -0.64850 -0.63402 -0.59306 -0.58592 -0.58100 -0.56082 -0.55129 -0.54751 -0.54050 -0.53741 -0.53265 -0.53086 -0.51097 -0.50628 -0.49227 -0.48682 -0.47908 -0.47725 -0.47420 -0.45737 -0.44224 -0.43465 -0.41804 -0.40409 -0.39675 -0.38924 -0.36572 -0.36159 -0.34109 -0.30789 -0.30616 -0.28589 0.03356 0.08313 0.08435 0.09380 0.10482 0.13069 0.14430 0.14723 0.16187 0.17263 0.17738 0.18747 0.19128 0.19670 0.19995 0.20522 0.21024 0.21399 0.22137 0.22277 0.23211 0.23679 0.24003 0.24534 0.25250 0.25710 0.26746 0.28649 0.29254 0.30160 0.31145 0.31934 0.33433 0.35628 0.35846 0.37881 0.39225 0.39854 0.40539 0.41006 0.41623 0.43160 0.44477 0.44756 0.45104 0.47817 0.48185 0.49434 0.49971 0.51382 0.52409 0.52681 0.54087 0.54456 0.55130 0.55236 0.56729 0.56911 0.58115 0.58198 0.59025 0.60198 0.60510 0.61680 0.62232 0.64398 0.65910 0.66770 0.67176 0.67813 0.68565 0.69518 0.70146 0.70629 0.70775 0.71555 0.72125 0.73156 0.73547 0.73968 0.74152 0.74690 0.75168 0.75758 0.76035 0.76550 0.77257 0.77380 0.77853 0.78736 0.79487 0.80144 0.80377 0.80727 0.81104 0.82522 0.82861 0.84196 0.84741 0.85239 0.86665 0.87853 0.88220 0.89281 0.90338 0.90896 0.92101 0.92940 0.93935 0.94666 0.96527 0.97748 1.00845 1.01861 1.02386 1.05323 1.06612 1.07465 1.09151 1.11048 1.13583 1.14963 1.16910 1.17871 1.20995 1.21697 1.22769 1.23339 1.26935 1.28227 1.29993 1.30635 1.31755 1.32979 1.34282 1.35049 1.35364 1.35906 1.37627 1.38176 1.39050 1.40476 1.40678 1.43030 1.43177 1.44969 1.47790 1.48565 1.52295 1.57219 1.57841 1.59823 1.60780 1.61962 1.62049 1.64015 1.65577 1.67007 1.67702 1.68320 1.70295 1.72214 1.73519 1.74337 1.76303 1.77888 1.78744 1.79321 1.79690 1.81897 1.82749 1.84310 1.84524 1.85704 1.85786 1.86479 1.87315 1.87685 1.87996 1.88513 1.89068 1.89372 1.90376 1.90980 1.91392 1.92856 1.93478 1.94647 1.95433 1.96266 1.96947 1.97454 1.98547 1.99343 2.00198 2.01961 2.02553 2.02995 2.04628 2.05293 2.08584 2.08852 2.09516 2.10050 2.11010 2.12277 2.13318 2.15251 2.15820 2.17021 2.18747 2.19542 2.20865 2.21837 2.22564 2.25613 2.26266 2.26907 2.28594 2.32288 2.32401 2.34054 2.35278 2.35620 2.37476 2.39807 2.41285 2.42095 2.42515 2.42966 2.44910 2.45267 2.46291 2.47673 2.49807 2.50274 2.50880 2.51696 2.53731 2.54724 2.58396 2.61475 2.61610 2.65372 2.66825 2.72202 2.72942 2.73953 2.74238 2.75353 2.76873 2.77846 2.79842 2.81478 2.82191 2.83433 2.84594 2.87352 2.88754 2.90683 2.91232 2.92351 2.93963 2.95306 2.98036 2.98497 2.99553 2.99689 3.01594 3.02009 3.02877 3.04927 3.07455 3.11288 3.16479 3.17005 3.19743 3.22732 3.23029 3.28031 3.33711 3.43566 3.48463 3.56465 3.59619 3.66028 3.72345 2-A. -1.99980105e+00 -6.21125451e-01 -5.02617804e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -5.0830 -1.5787 -1.2775 5.4737 -97.7742 -109.3254 -103.9577 8.1587 -4.0235 2.0810 5.9116 -5.6397 -0.2719 8.1587 -4.0235 2.0810 -67.8276 -8.6672 -21.8510 -15.8946 -2.7280 -7.5941 -27.4080 -6.4582 4.7801 13.5618 -3597.2156 -1556.1367 -930.2338 77.8967 -44.5754 34.9269 -19.0517 -1.5430 -7.8295 -823.6950 -772.9772 -401.3668 19.9398 -26.3880 22.9010 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|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) 0 2-A -754.2491273 0.782409 0. 0.750287 9.187E-9 1.434E-6 4.4426415,-4.159704,-0.2829375,-6.0218642,-3.0175818,-1.6360396 C01 [X(C14H20B1N2O1)] 1.995785 -0.6264238 0.511919 -0.000001396 -0.000002674 0.000000604 0.000000782 0.000001095 -0.000000401 0.000001290 0.000001283 -0.000000238 0.000000847 0.000001056 -0.000000355 0.000000920 0.000001469 -0.000000534 0.000000008 0.000001060 -0.000000112 0.000001149 -0.000001258 0.000000707 0.000001061 -0.000000380 0.000000999 -0.000000931 0.000000942 -0.000000001 0.000002571 -0.000003969 0.000000683 -0.000004766 0.000001903 0.000001824 0.000000164 -0.000001991 0.000000982 -0.000000644 -0.000001370 0.000000860 0.000000283 -0.000000165 -0.000002463 0.000001184 -0.000001657 0.000000356 0.000001010 -0.000000627 -0.000000041 -0.000000092 -0.000001448 0.000000494 -0.000000689 -0.000001895 0.000000666 -0.000003132 0.000002369 -0.000004852 0.000000049 -0.000000185 0.000001766 0.000001273 0.000000115 0.000002542 -0.000002278 -0.000001404 0.000000082 -0.000000948 -0.000000025 -0.000000208 0.000000999 -0.000001695 0.000000509 0.000000176 -0.000002293 0.000000635 -0.000000738 0.000001651 -0.000000042 -0.000001155 0.000000945 -0.000000452 -0.000001465 0.000001198 -0.000000475 -0.000000747 0.000001039 -0.000000366 0.000001169 0.000004444 -0.000001654 0.000000292 0.000001579 -0.000000255 0.000002287 -0.000000153 -0.000000400 0.000000068 0.000001102 -0.000000165 0.000000534 0.000001027 -0.000000400 -0.000001136 -0.000000592 0.000000616 0.000000305 -0.000001993 0.000000835 0.000000372 0.000000018 -0.000001054 0.000001325 0.000001477 -0.000000690 222.97359999999998 AuxInfo=1/0/N:31,35,17,13,15,11,12,3,2,10,1,8,6,7;19,27,22,26/E:(1,2)(4,5)(6,7)(8,9)(13,14);/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;1.3,3.3/rA:38nC3C3C3HHNNBHC3C3C3C3HC3HC3HC3HHC3HHHOCHHHCHHHCHHH/rB:;s2;s2;s3;s1s3;s1s2;s1;s8;s8;s10;s10;s11;s11;s12;s12;s13s15;s13;;s19;s19;s19;s22;s15;s17;s22;s26;s27;s27;s27;s6;s31;s31;s31;s7;s35;s35;s35;/rC:.8818,-.8615,-.2361;2.3123,-1.2544,1.4741;2.8992,-1.714,.3439;2.6649,-1.2489,2.501;3.8593,-2.1987,.1934;2.0285,-1.465,-.6976;1.0871,-.7241,1.1175;-.2604,-.3167,-1.1176;-.1274,-.547,-2.3047;-1.7566,-.261,-.5695;-2.6912,.7012,-.993;-2.2357,-1.2373,.3259;-4.0103,.7047,-.5407;-2.3847,1.4748,-1.7025;-3.5518,-1.2464,.7856;-1.5533,-2.0212,.6708;-4.4487,-.2689,.3561;-4.7031,1.4732,-.8936;.4789,1.7739,-1.291;1.4139,1.5169,-1.7932;-.35,1.9938,-1.9647;.4957,2.4672,-.1009;-.4105,2.8975,.3309;-3.8813,-2.0243,1.4794;-5.4816,-.2691,.7122;1.5289,2.5324,.7746;2.8014,2.1712,.3115;3.1028,2.7875,-.5545;3.5045,2.3437,1.1363;2.8516,1.108,.0205;2.258,-1.8264,-2.0771;1.4318,-2.4467,-2.4521;2.3277,-.9321,-2.7124;3.1969,-2.3902,-2.1449;.2276,-.0359,2.0581;-.5722,.4719,1.5132;-.2267,-.7461,2.7658;.8113,.7203,2.6013; Gaussian 16 GINC-NODO01 NSF coments ES64L-G16RevC.02 108 C1[X(C14H20BN2O)] 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 0 222.97359999999998 AuxInfo=1/0/N:31,35,17,13,15,11,12,3,2,10,1,8,6,7;19,27,22,26/E:(1,2)(4,5)(6,7)(8,9)(13,14);/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;1.3,3.3/rA:38nC3C3C3HHNNBHC3C3C3C3HC3HC3HC3HHC3HHHOCHHHCHHHCHHH/rB:;s2;s2;s3;s1s3;s1s2;s1;s8;s8;s10;s10;s11;s11;s12;s12;s13s15;s13;;s19;s19;s19;s22;s15;s17;s22;s26;s27;s27;s27;s6;s31;s31;s31;s7;s35;s35;s35;/rC:.8818,-.8615,-.2361;2.3123,-1.2544,1.4741;2.8992,-1.714,.3438;2.6649,-1.2489,2.501;3.8593,-2.1987,.1934;2.0285,-1.465,-.6976;1.0871,-.7241,1.1175;-.2604,-.3167,-1.1176;-.1274,-.547,-2.3047;-1.7566,-.261,-.5695;-2.6912,.7012,-.993;-2.2357,-1.2373,.3259;-4.0103,.7047,-.5407;-2.3847,1.4748,-1.7025;-3.5518,-1.2464,.7856;-1.5533,-2.0212,.6708;-4.4487,-.2689,.3561;-4.7031,1.4732,-.8936;.4789,1.7739,-1.291;1.4139,1.5169,-1.7932;-.35,1.9938,-1.9647;.4957,2.4672,-.1009;-.4105,2.8975,.3309;-3.8813,-2.0244,1.4794;-5.4816,-.2691,.7122;1.5289,2.5324,.7746;2.8014,2.1712,.3115;3.1028,2.7875,-.5545;3.5045,2.3437,1.1363;2.8516,1.108,.0205;2.258,-1.8264,-2.0771;1.4318,-2.4467,-2.4521;2.3277,-.9321,-2.7124;3.1969,-2.3902,-2.1449;.2276,-.0359,2.0581;-.5722,.4719,1.5132;-.2267,-.7461,2.7658;.8113,.7203,2.6013; 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 12 12 12 1 1 14 14 11 1 12 12 12 12 1 12 1 12 1 12 1 1 12 1 1 1 16 12 1 1 1 12 1 1 1 12 1 1 1 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 14.0030740 11.0093053 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 15.9949146 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 1 2 2 3 1 0 0 0 0 1 0 1 0 1 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 4.5500000 4.5500000 2.7500000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 5.6000000 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: "48_OMe_TS.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 1 1 1 2 2 2 3 3 6 7 8 8 8 10 10 11 11 12 12 13 13 14 15 15 17 19 19 19 22 22 26 27 27 27 31 31 31 35 35 35 6 7 8 3 4 7 5 6 31 35 9 10 19 11 12 13 14 15 16 17 18 21 17 24 25 20 21 22 23 26 27 28 29 30 32 33 34 36 37 38 1.3756 1.376 1.5422 1.3539 1.0859 1.3818 1.086 1.3801 1.4444 1.4481 1.2165 1.5944 2.2242 1.4066 1.4087 1.3945 1.0935 1.3941 1.095 1.3944 1.0932 2.1161 1.3944 1.0933 1.0926 1.092 1.0905 1.3775 1.0922 1.3558 1.4014 1.1048 1.0975 1.1034 1.0991 1.0993 1.0972 1.0929 1.1007 1.0989 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 6 6 7 3 3 4 2 2 5 1 1 3 1 1 2 1 1 1 9 9 10 8 8 11 10 10 13 10 10 15 11 11 17 11 12 12 17 13 13 15 8 8 8 20 20 21 14 19 19 23 22 26 26 26 28 28 29 6 6 6 32 32 33 7 7 7 36 36 37 1 1 1 2 2 2 3 3 3 6 6 6 7 7 7 8 8 8 8 8 8 10 10 10 11 11 11 12 12 12 13 13 13 14 15 15 15 17 17 17 19 19 19 19 19 19 21 22 22 22 26 27 27 27 27 27 27 31 31 31 31 31 31 35 35 35 35 35 35 7 8 8 4 7 7 5 6 6 3 31 31 2 35 35 9 10 19 10 19 19 11 12 12 13 14 14 15 16 16 17 18 18 21 17 24 24 15 25 25 20 21 22 21 22 22 19 23 26 26 27 28 29 30 29 30 30 32 33 34 33 34 34 36 37 38 37 38 38 104.4467 125.4921 129.6092 130.5742 107.4122 122.0095 130.5694 107.1695 122.2609 110.6026 124.2416 125.1217 110.3542 126.7155 122.755 114.2005 120.7189 97.4934 116.4026 93.7589 107.808 122.948 120.8904 116.0742 122.1786 119.5428 118.2783 122.3533 118.9769 118.669 120.2777 119.7702 119.952 121.5574 120.0712 119.894 120.034 119.0375 120.4647 120.4967 95.6944 89.1449 114.1955 114.4672 120.3506 116.2022 127.2157 121.9856 126.2584 110.9842 117.7847 111.2795 107.0277 112.1397 109.0598 108.5657 108.6928 110.3424 111.0057 108.8789 108.0412 109.3977 109.1499 109.3495 110.8522 109.4384 108.5593 108.3884 110.2061 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 7 7 8 8 6 6 8 8 6 6 6 7 7 7 4 4 7 7 3 3 4 4 2 2 5 5 1 1 1 3 3 3 1 1 1 2 2 2 1 1 9 9 19 19 1 1 1 9 9 9 10 10 10 8 8 12 12 8 8 11 11 10 10 14 14 10 13 10 10 16 16 11 11 18 18 11 12 12 24 24 8 20 22 8 8 20 20 21 21 19 23 22 22 22 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 15 15 15 15 19 19 19 19 19 19 19 19 19 22 22 26 26 26 6 6 6 6 7 7 7 7 8 8 8 8 8 8 3 3 3 3 7 7 7 7 6 6 6 6 31 31 31 31 31 31 35 35 35 35 35 35 10 10 10 10 10 10 19 19 19 19 19 19 19 19 19 11 11 11 11 12 12 12 12 13 13 13 13 14 14 15 15 15 15 17 17 17 17 21 17 17 17 17 21 21 21 22 22 22 22 22 22 26 26 27 27 27 3 31 3 31 2 35 2 35 9 10 19 9 10 19 5 6 5 6 1 35 1 35 1 31 1 31 32 33 34 32 33 34 36 37 38 36 37 38 11 12 11 12 11 12 20 21 22 20 21 22 20 21 22 13 14 13 14 15 16 15 16 17 18 17 18 21 21 17 24 17 24 15 25 15 25 19 13 25 13 25 14 14 14 23 26 23 26 23 26 27 27 28 29 30 1.1431 179.1116 174.036 -7.9954 -1.2213 174.0389 -173.7081 1.5521 5.1875 151.7143 -92.3751 176.2408 -37.2324 78.6782 0.8149 -179.382 -179.9318 -0.1287 0.8657 -174.6169 -179.8032 4.7142 -0.6513 -178.5982 179.1718 1.225 -53.5839 66.1634 -173.6592 124.0911 -116.1615 4.0158 -6.5749 113.0781 -125.1612 168.1396 -72.2074 49.5533 150.5104 -33.023 -63.6604 112.8062 40.0108 -143.5226 61.7249 176.2307 -65.2529 -53.2989 61.2069 179.7233 -172.5845 -58.0788 60.4377 177.5387 -2.2632 0.9143 -178.8876 -177.5741 2.1045 -0.8749 178.8037 -0.3227 179.8235 179.4816 -0.3723 -21.0668 159.1236 0.2409 179.9206 -179.4386 0.2411 -0.3584 -179.9876 179.4952 -0.1341 -17.5418 0.3976 -179.9733 -179.2817 0.3474 46.2383 142.1061 -70.4731 -78.5605 90.4498 168.5378 -22.452 23.145 -167.8448 17.6448 -172.3278 57.6994 176.7638 -64.1271 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. saddle point 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. -0.03471 0.00012 0.00122 0.00147 0.00294 0.00577 0.00628 0.00706 0.00726 0.00944 0.01172 0.01273 0.01351 0.01435 0.01602 0.01793 0.01815 0.01877 0.01960 0.02241 0.02342 0.02431 0.02561 0.02632 0.02839 0.02970 0.03069 0.03264 0.03750 0.04106 0.04614 0.04751 0.05229 0.05892 0.05960 0.05980 0.06002 0.06835 0.07459 0.08596 0.08722 0.09969 0.10202 0.10617 0.10990 0.11685 0.11907 0.12298 0.12356 0.12616 0.13254 0.13343 0.13600 0.14789 0.17695 0.17788 0.18162 0.18564 0.18786 0.18892 0.19024 0.19341 0.19358 0.20754 0.21834 0.22056 0.22686 0.23050 0.24482 0.27486 0.27918 0.29748 0.31412 0.32210 0.33149 0.33920 0.33984 0.34243 0.34504 0.34548 0.34701 0.35045 0.35262 0.35652 0.35881 0.36052 0.36146 0.36307 0.36372 0.36943 0.37212 0.37920 0.38181 0.38310 0.39037 0.40231 0.40577 0.42300 0.42425 0.43500 0.44885 0.46344 0.47802 0.48040 0.48619 0.52084 0.55470 0.57555 R13 D88 D87 D82 R28 1 0.79047 -0.19472 0.16854 -0.16291 -0.13582 D89 D83 D41 D90 D42 Angle between quadratic step and forces= 84.33 degrees. 1 2 0.00034685 0.00000019 0.00000009 0.00000003 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 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 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 2.59946 2.60022 2.91442 2.55856 2.05198 2.61120 2.05230 2.60807 2.72950 2.73655 2.29890 3.01306 4.20320 2.65805 2.66200 2.63531 2.06644 2.63453 2.06930 2.63500 2.06581 3.99893 2.63499 2.06598 2.06469 2.06356 2.06082 2.60301 2.06389 2.56206 2.64832 2.08780 2.07393 2.08516 2.07693 2.07730 2.07347 2.06528 2.08011 2.07655 1.82294 2.19025 2.26211 2.27895 1.87470 2.12947 2.27887 1.87046 2.13385 1.93038 2.16843 2.18378 1.92604 2.21160 2.14248 1.99317 2.10694 1.70158 2.03161 1.63640 1.88161 2.14585 2.10994 2.02588 2.13242 2.08642 2.06435 2.13547 2.07654 2.07117 2.09924 2.09038 2.09356 2.12158 2.09564 2.09254 2.09499 2.07760 2.10251 2.10306 1.67018 1.55587 1.99309 1.99783 2.10051 2.02811 2.22033 2.12905 2.20363 1.93704 2.05573 1.94219 1.86799 1.95721 1.90345 1.89483 1.89705 1.92584 1.93741 1.90030 1.88568 1.90935 1.90503 1.90851 1.93474 1.91006 1.89472 1.89173 1.92346 0.01995 3.12609 3.03750 -0.13955 -0.02132 3.03755 -3.03178 0.02709 0.09054 2.64791 -1.61225 3.07598 -0.64983 1.37319 0.01422 -3.13081 -3.14040 -0.00225 0.01511 -3.04764 -3.13816 0.08228 -0.01137 -3.11713 3.12714 0.02138 -0.93522 1.15477 -3.03093 2.16580 -2.02740 0.07009 -0.11475 1.97358 -2.18447 2.93459 -1.26026 0.86487 2.62690 -0.57636 -1.11108 1.96884 0.69832 -2.50494 1.07730 3.07581 -1.13888 -0.93024 1.06826 3.13676 -3.01217 -1.01367 1.05484 3.09863 -0.03950 0.01596 -3.12218 -3.09925 0.03673 -0.01527 3.12071 -0.00563 3.13851 3.13254 -0.00650 -0.36768 2.77723 0.00421 3.14021 -3.13179 0.00421 -0.00626 -3.14138 3.13278 -0.00234 -0.30616 0.00694 -3.14113 -3.12906 0.00606 0.80701 2.48022 -1.22999 -1.37114 1.57865 2.94154 -0.39186 0.40396 -2.92944 0.30796 -3.00769 1.00704 3.08511 -1.11923 0.00000 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 0.00001 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 0.00001 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 0.00001 0.00001 -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 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00010 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 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00002 0.00003 -0.00003 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00021 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00006 -0.00000 -0.00010 0.00001 -0.00000 0.00002 -0.00048 0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00002 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00002 -0.00006 -0.00003 0.00001 -0.00005 0.00006 0.00001 0.00019 0.00022 0.00018 0.00012 0.00015 0.00012 0.00001 -0.00001 0.00002 0.00000 -0.00001 0.00005 0.00000 0.00006 0.00000 -0.00002 -0.00001 -0.00004 -0.00022 -0.00021 -0.00021 -0.00019 -0.00018 -0.00018 0.00019 0.00018 0.00020 0.00013 0.00012 0.00013 -0.00045 -0.00038 -0.00041 -0.00035 -0.00042 -0.00035 -0.00032 -0.00031 -0.00031 -0.00033 -0.00032 -0.00032 -0.00034 -0.00032 -0.00033 0.00005 0.00006 -0.00001 -0.00000 -0.00005 -0.00002 0.00001 0.00004 0.00000 -0.00000 -0.00000 -0.00001 0.00055 0.00056 -0.00001 0.00000 -0.00004 -0.00002 0.00000 -0.00000 0.00001 0.00000 -0.00130 0.00000 0.00001 -0.00001 -0.00001 0.00075 0.00082 0.00086 0.00010 0.00010 0.00010 0.00010 0.00005 0.00005 0.00014 0.00013 -0.00003 -0.00002 -0.00002 0.00001 0.00001 -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 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00010 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 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00002 0.00003 -0.00003 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00021 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00006 -0.00000 -0.00010 0.00001 -0.00000 0.00002 -0.00048 0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00002 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00002 -0.00006 -0.00003 0.00001 -0.00005 0.00006 0.00001 0.00019 0.00022 0.00018 0.00012 0.00015 0.00012 0.00001 -0.00001 0.00002 0.00000 -0.00001 0.00005 0.00000 0.00006 0.00000 -0.00002 -0.00001 -0.00004 -0.00022 -0.00021 -0.00021 -0.00019 -0.00018 -0.00018 0.00019 0.00018 0.00020 0.00013 0.00012 0.00013 -0.00045 -0.00038 -0.00041 -0.00035 -0.00042 -0.00035 -0.00032 -0.00031 -0.00031 -0.00033 -0.00032 -0.00032 -0.00034 -0.00032 -0.00033 0.00005 0.00006 -0.00001 -0.00000 -0.00005 -0.00002 0.00001 0.00004 0.00000 -0.00000 -0.00000 -0.00001 0.00055 0.00056 -0.00001 0.00000 -0.00004 -0.00002 0.00000 -0.00000 0.00001 0.00000 -0.00130 0.00000 0.00001 -0.00001 -0.00001 0.00075 0.00082 0.00086 0.00010 0.00010 0.00010 0.00010 0.00005 0.00005 0.00014 0.00013 -0.00003 -0.00002 -0.00002 2.59947 2.60022 2.91441 2.55856 2.05198 2.61120 2.05230 2.60807 2.72949 2.73655 2.29890 3.01308 4.20321 2.65806 2.66200 2.63531 2.06645 2.63453 2.06930 2.63500 2.06581 3.99883 2.63499 2.06598 2.06469 2.06356 2.06081 2.60301 2.06389 2.56206 2.64833 2.08780 2.07393 2.08516 2.07693 2.07730 2.07347 2.06527 2.08011 2.07656 1.82293 2.19025 2.26211 2.27895 1.87470 2.12947 2.27887 1.87046 2.13385 1.93038 2.16843 2.18378 1.92605 2.21160 2.14247 1.99319 2.10694 1.70157 2.03161 1.63641 1.88158 2.14588 2.10990 2.02588 2.13242 2.08641 2.06435 2.13547 2.07653 2.07117 2.09924 2.09038 2.09356 2.12178 2.09564 2.09254 2.09499 2.07760 2.10250 2.10306 1.67025 1.55587 1.99299 1.99784 2.10051 2.02813 2.21985 2.12905 2.20362 1.93705 2.05573 1.94219 1.86799 1.95722 1.90346 1.89482 1.89704 1.92586 1.93741 1.90029 1.88568 1.90934 1.90503 1.90851 1.93473 1.91006 1.89471 1.89173 1.92347 0.01994 3.12611 3.03744 -0.13958 -0.02131 3.03750 -3.03171 0.02709 0.09073 2.64813 -1.61207 3.07611 -0.64967 1.37331 0.01423 -3.13081 -3.14038 -0.00224 0.01510 -3.04759 -3.13816 0.08233 -0.01136 -3.11715 3.12713 0.02134 -0.93543 1.15456 -3.03114 2.16561 -2.02758 0.06991 -0.11456 1.97377 -2.18428 2.93472 -1.26014 0.86500 2.62646 -0.57674 -1.11150 1.96849 0.69790 -2.50529 1.07698 3.07550 -1.13919 -0.93057 1.06794 3.13644 -3.01251 -1.01399 1.05451 3.09869 -0.03944 0.01595 -3.12218 -3.09930 0.03671 -0.01526 3.12075 -0.00563 3.13851 3.13254 -0.00650 -0.36713 2.77779 0.00420 3.14021 -3.13183 0.00418 -0.00625 -3.14138 3.13279 -0.00234 -0.30746 0.00694 -3.14112 -3.12907 0.00606 0.80776 2.48104 -1.22912 -1.37104 1.57874 2.94164 -0.39176 0.40401 -2.92940 0.30810 -3.00755 1.00702 3.08509 -1.11925 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000007 0.000001 0.001317 0.000347 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.717556e-09 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 1 1 1 2 2 2 3 3 6 7 8 8 8 10 10 11 11 12 12 13 13 14 15 15 17 19 19 19 22 22 26 27 27 27 31 31 31 35 35 35 6 7 8 3 4 7 5 6 31 35 9 10 19 11 12 13 14 15 16 17 18 21 17 24 25 20 21 22 23 26 27 28 29 30 32 33 34 36 37 38 1.3756 1.376 1.5422 1.3539 1.0859 1.3818 1.086 1.3801 1.4444 1.4481 1.2165 1.5944 2.2242 1.4066 1.4087 1.3945 1.0935 1.3941 1.095 1.3944 1.0932 2.1161 1.3944 1.0933 1.0926 1.092 1.0905 1.3775 1.0922 1.3558 1.4014 1.1048 1.0975 1.1034 1.0991 1.0993 1.0972 1.0929 1.1007 1.0989 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6 6 7 3 3 4 2 2 5 1 1 3 1 1 2 1 1 1 9 9 10 8 8 11 10 10 13 10 10 15 11 11 17 11 12 12 17 13 13 15 8 8 8 20 20 21 14 19 19 23 22 26 26 26 28 28 29 6 6 6 32 32 33 7 7 7 36 36 37 1 1 1 2 2 2 3 3 3 6 6 6 7 7 7 8 8 8 8 8 8 10 10 10 11 11 11 12 12 12 13 13 13 14 15 15 15 17 17 17 19 19 19 19 19 19 21 22 22 22 26 27 27 27 27 27 27 31 31 31 31 31 31 35 35 35 35 35 35 7 8 8 4 7 7 5 6 6 3 31 31 2 35 35 9 10 19 10 19 19 11 12 12 13 14 14 15 16 16 17 18 18 21 17 24 24 15 25 25 20 21 22 21 22 22 19 23 26 26 27 28 29 30 29 30 30 32 33 34 33 34 34 36 37 38 37 38 38 104.4467 125.4921 129.6092 130.5742 107.4122 122.0095 130.5694 107.1695 122.2609 110.6026 124.2416 125.1217 110.3542 126.7155 122.755 114.2005 120.7189 97.4934 116.4026 93.7589 107.808 122.948 120.8904 116.0742 122.1786 119.5428 118.2783 122.3533 118.9769 118.669 120.2777 119.7702 119.952 121.5574 120.0712 119.894 120.034 119.0375 120.4647 120.4967 95.6944 89.1449 114.1955 114.4672 120.3506 116.2022 127.2157 121.9856 126.2584 110.9842 117.7847 111.2795 107.0277 112.1397 109.0598 108.5657 108.6928 110.3424 111.0057 108.8789 108.0412 109.3977 109.1499 109.3495 110.8522 109.4384 108.5593 108.3884 110.2061 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 7 7 8 8 6 6 8 8 6 6 6 7 7 7 4 4 7 7 3 3 4 4 2 2 5 5 1 1 1 3 3 3 1 1 1 2 2 2 1 1 9 9 19 19 1 1 1 9 9 9 10 10 10 8 8 12 12 8 8 11 11 10 10 14 14 10 13 10 10 16 16 11 11 18 18 11 12 12 24 24 8 20 22 8 8 20 20 21 21 19 23 22 22 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 15 15 15 15 19 19 19 19 19 19 19 19 19 22 22 26 26 6 6 6 6 7 7 7 7 8 8 8 8 8 8 3 3 3 3 7 7 7 7 6 6 6 6 31 31 31 31 31 31 35 35 35 35 35 35 10 10 10 10 10 10 19 19 19 19 19 19 19 19 19 11 11 11 11 12 12 12 12 13 13 13 13 14 14 15 15 15 15 17 17 17 17 21 17 17 17 17 21 21 21 22 22 22 22 22 22 26 26 27 27 3 31 3 31 2 35 2 35 9 10 19 9 10 19 5 6 5 6 1 35 1 35 1 31 1 31 32 33 34 32 33 34 36 37 38 36 37 38 11 12 11 12 11 12 20 21 22 20 21 22 20 21 22 13 14 13 14 15 16 15 16 17 18 17 18 21 21 17 24 17 24 15 25 15 25 19 13 25 13 25 14 14 14 23 26 23 26 23 26 27 27 28 29 1.1431 179.1116 174.036 -7.9954 -1.2213 174.0389 -173.7081 1.5521 5.1875 151.7143 -92.3751 176.2408 -37.2324 78.6782 0.8149 -179.382 -179.9318 -0.1287 0.8657 -174.6169 -179.8032 4.7142 -0.6513 -178.5982 179.1718 1.225 -53.5839 66.1634 -173.6592 124.0911 -116.1615 4.0158 -6.5749 113.0781 -125.1612 168.1396 -72.2074 49.5533 150.5104 -33.023 -63.6604 112.8062 40.0108 -143.5226 61.7249 176.2307 -65.2529 -53.2989 61.2069 179.7233 -172.5845 -58.0788 60.4377 177.5387 -2.2632 0.9143 -178.8876 -177.5741 2.1045 -0.8749 178.8037 -0.3227 179.8235 179.4816 -0.3723 -21.0668 159.1236 0.2409 179.9206 -179.4386 0.2411 -0.3584 -179.9876 179.4952 -0.1341 -17.5418 0.3976 -179.9733 -179.2817 0.3474 46.2383 142.1061 -70.4731 -78.5605 90.4498 168.5378 -22.452 23.145 -167.8448 17.6448 -172.3278 57.6994 176.7638 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 370 A 352 A 352 590 370 66 65 1325.7107668901 38 38 38 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 -0.0348599980 0.000000 2.263909 0.000000 2.265624 1.353931 0.000000 3.289625 1.085863 2.219174 0.000000 3.292200 2.219281 1.086032 2.766556 0.000000 1.375574 2.200252 1.380131 3.268523 2.164333 0.000000 1.375975 1.381789 2.205027 2.163117 3.273185 2.174837 0.000000 1.542243 3.770253 3.751197 4.745677 4.715222 2.595021 2.641531 0.000000 2.323070 4.553211 4.187746 5.602265 4.986314 2.841392 3.635691 1.216526 0.000000 2.726359 4.660361 4.962077 5.473064 5.989681 3.974089 3.338774 1.594445 2.397342 0.000000 3.972510 5.911418 6.234774 6.685710 7.261292 5.201439 4.556420 2.638229 3.138728 1.406581 0.000000 3.189904 4.690650 5.156956 5.361630 6.171806 4.391184 3.454110 2.613971 3.441138 1.408672 2.388436 0.000000 5.145734 6.919008 7.373882 7.591313 8.420263 6.418706 5.547540 3.929125 4.444725 2.452041 1.394546 2.769794 0.000000 4.275340 6.292896 6.501971 7.112466 7.488489 5.397094 4.984085 2.839746 3.089612 2.165882 1.093513 3.389972 2.141363 0.000000 4.566026 5.904351 6.482974 6.449067 7.495524 5.778182 4.680017 3.914044 4.665359 2.455577 2.774356 1.394133 2.403339 3.867481 0.000000 2.845524 4.021932 4.475029 4.662590 5.436580 3.874430 2.975560 2.788426 3.613882 2.162875 3.387375 1.095029 3.864614 4.306464 2.146504 0.000000 5.395873 6.923227 7.488609 7.494274 8.530755 6.670425 5.606400 4.440224 5.082380 2.846711 2.418654 2.415787 1.394382 3.396787 1.394377 3.398918 0.000000 6.088834 7.890552 8.335721 8.556938 9.379767 7.347500 6.511464 4.794926 5.197045 3.434237 2.157238 3.862912 1.093177 2.455438 3.397248 4.957750 2.159034 0.000000 2.867134 4.491917 4.549323 5.319369 5.423357 3.639245 3.522879 2.224239 2.604219 3.107844 3.359832 4.364637 4.675353 2.908411 5.447969 4.730856 5.582672 5.205846 0.000000 2.892122 4.377428 4.148735 5.258807 4.871628 3.235726 3.687917 2.573263 2.626225 3.835394 4.261080 5.039334 5.625843 3.799880 6.240462 5.233860 6.494414 6.182882 1.091992 0.000000 3.557839 5.428031 5.443793 6.288707 6.320890 4.384801 4.353413 2.462542 2.573160 3.001533 2.845338 4.386608 4.133680 2.116144 5.321103 4.951157 5.225380 4.513012 1.090537 1.835254 0.000000 3.353780 4.430648 4.843285 5.028423 5.759472 4.262418 3.466794 3.058760 3.785653 3.568752 3.751137 4.622345 4.858474 3.441987 5.564110 4.994009 5.669410 5.352044 1.377453 2.147069 2.100757 0.000000 4.015142 5.094903 5.676279 5.599999 6.649923 5.102745 3.997139 3.528723 4.346430 3.549459 3.431863 4.519657 4.304288 3.171203 5.219764 5.061104 5.131579 4.685554 2.164250 3.121855 2.467794 1.092162 0.000000 5.194401 6.241205 6.881869 6.670643 7.848651 6.322781 5.148447 4.771933 5.531165 3.438264 3.867543 2.158269 3.397869 4.960692 1.093271 2.464392 2.159984 4.305787 6.411911 7.161611 6.362177 6.467611 6.131043 0.000000 6.460837 7.892709 8.512360 8.397914 9.552236 7.734265 6.596880 5.532739 6.151939 3.939294 3.411125 3.409165 2.163996 4.296853 2.164331 4.301458 1.092586 2.494133 6.611632 7.550758 6.214474 6.623990 5.990716 2.496062 0.000000 3.599876 3.929747 4.482818 4.309264 5.305861 4.289132 3.304196 3.860045 4.659265 4.517163 4.928171 5.346427 5.979492 4.750928 6.331950 5.499699 6.614698 6.537821 2.438143 2.763643 3.365118 1.355783 2.022746 7.108563 7.549846 0.000000 3.630669 3.650383 3.886584 4.063232 4.497672 3.851958 3.459887 4.196001 4.776074 5.240881 5.833536 6.081884 7.019690 5.606822 7.229602 6.055434 7.649746 7.632572 2.849506 2.604353 3.891461 2.360841 3.293012 7.976475 8.644235 1.401432 0.000000 4.283652 4.590963 4.594839 5.081416 5.098443 4.388486 4.380624 4.611360 4.961538 5.736525 6.173729 6.743383 7.411820 5.757956 7.896319 6.804738 8.197272 7.923025 2.907736 2.449750 3.813209 2.665545 3.624824 8.721708 9.199963 2.075685 1.104819 0.000000 4.362949 3.805486 4.178469 3.933745 4.652760 4.477515 3.905804 5.131513 5.778197 6.113386 6.754076 6.813914 7.872189 6.595185 7.924833 6.697044 8.407545 8.499566 3.920543 3.692672 4.959385 3.255513 4.035144 8.587617 9.367826 2.017236 1.097475 1.793593 0.000000 2.797317 2.825719 2.840912 3.426829 3.461177 2.795294 2.770094 3.606905 4.125561 4.843351 5.649314 5.610156 6.896652 5.524688 6.865282 5.442250 7.436546 7.618547 2.791635 2.350220 3.869867 2.722561 3.733615 7.567809 8.474484 2.084970 1.103421 1.792890 1.788354 0.000000 2.492872 3.597352 2.506937 4.632340 2.803261 1.444388 3.576556 3.089059 2.716428 4.565188 5.662036 5.129781 6.932477 5.709041 6.502718 4.702662 7.302456 7.793912 4.092162 3.459940 4.626982 5.044480 5.935898 7.097795 8.372972 5.259596 4.688432 4.931594 5.410126 3.655556 0.000000 2.779602 4.196609 3.241480 5.242984 3.599058 2.097118 3.978503 3.030099 2.462098 4.299784 5.388674 4.757174 6.572836 5.523242 6.063013 4.341044 6.870906 7.445273 4.479971 4.018087 4.809503 5.527364 6.300796 6.623014 7.908868 5.934051 5.553193 5.812955 6.334071 4.556912 1.099063 0.000000 2.868426 4.198875 3.206035 5.233935 3.520524 2.105450 4.031206 3.101691 2.518388 4.660965 5.550988 5.490824 6.896842 5.387019 6.848631 5.262586 7.468279 7.650218 3.572262 2.770860 4.036143 4.661718 5.605818 7.570752 8.552956 4.979935 4.358684 4.369503 5.189172 3.450338 1.099258 1.778944 0.000000 3.367533 3.894832 2.596120 4.813590 2.437936 2.077445 4.227366 4.160239 3.804450 5.617203 6.749292 6.078388 8.005990 6.803528 7.445867 5.534326 8.319221 8.882632 5.045464 4.309121 5.642066 5.921926 6.863138 7.960516 9.379647 5.961371 5.195822 5.417312 5.768081 4.128640 1.097233 1.792454 1.789865 0.000000 2.524453 2.484284 3.590564 2.758293 4.619994 3.588817 1.448122 3.225250 4.406985 3.300308 4.286184 3.242127 5.026168 4.821658 4.167539 3.006269 4.981797 5.941512 3.815060 4.318614 4.542676 3.316417 3.463347 4.601257 5.870283 3.152342 3.813935 4.802500 4.153347 3.513658 4.942512 5.253962 5.288786 5.659046 0.000000 2.636666 3.361799 4.265691 3.796834 5.339709 3.924661 2.083323 2.764125 3.976508 2.505517 3.289899 2.664218 4.011686 3.825147 3.515679 2.808521 4.112732 4.884634 3.265461 3.996036 3.802770 2.779748 2.703184 4.145173 5.029182 3.034163 3.963901 4.810710 4.501673 3.788825 5.116894 5.315835 5.313788 5.981591 1.092897 0.000000 3.202099 2.893689 4.071122 2.946958 5.042141 4.195014 2.107963 3.907239 5.075407 3.701363 4.721902 3.198451 5.230060 5.436441 3.902257 2.788320 4.884558 6.193087 4.827583 5.347583 5.468048 4.366366 4.386088 4.079741 5.661960 4.218547 4.868624 5.881874 5.111186 4.522234 5.549297 5.733183 6.047353 6.208011 1.100746 1.780973 0.000000 3.249242 2.724467 3.921864 2.706210 4.858871 4.140018 2.088948 4.006763 5.153261 4.196528 5.018574 4.277042 5.755042 5.413533 5.118685 4.102881 5.803977 6.571880 4.046022 4.506519 4.880412 3.233123 3.374529 5.550810 6.644351 2.671313 3.362853 4.414007 3.469178 3.312670 5.519584 5.995949 5.767569 6.155683 1.098864 1.777532 1.804082 0.000000 C14H20BN2O(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 0 222.97359999999998 AuxInfo=1/0/N:31,35,17,13,15,11,12,3,2,10,1,8,6,7;19,27,22,26/E:(1,2)(4,5)(6,7)(8,9)(13,14);/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;1.3,3.3/rA:38nC3C3C3HHNNBHC3C3C3C3HC3HC3HC3HHC3HHHOCHHHCHHHCHHH/rB:;s2;s2;s3;s1s3;s1s2;s1;s8;s8;s10;s10;s11;s11;s12;s12;s13s15;s13;;s19;s19;s19;s22;s15;s17;s22;s26;s27;s27;s27;s6;s31;s31;s31;s7;s35;s35;s35;/rC:-.8786,-.8639,.2343;-2.3226,-1.239,-1.4685;-2.9005,-1.7104,-.3385;-2.6833,-1.2228,-2.4926;-3.8595,-2.1966,-.1856;-2.0216,-1.4722,.6985;-1.0946,-.7123,-1.1161;.2706,-.3283,1.1124;.147,-.571,2.298;1.7624,-.2668,.553;2.7003,.691,.9791;2.2343,-1.2336,-.3563;4.0159,.6993,.5165;2.3995,1.4571,1.6991;3.5468,-1.2379,-.8264;1.5492,-2.0139,-.7039;4.447,-.2649,-.3939;4.7114,1.4641,.8719;-.4672,1.7604,1.3134;-1.3982,1.4981,1.8202;.367,1.9733,1.9828;-.4935,2.4661,.1308;.4093,2.9009,-.3037;3.8707,-2.0086,-1.5309;5.4771,-.2614,-.7581;-1.5336,2.5404,-.7357;-2.8023,2.1743,-.2664;-3.0969,2.7815,.6083;-3.5119,2.3554,-1.0837;-2.8503,1.1081,.0139;-2.2402,-1.848,2.076;-1.4111,-2.4722,2.4379;-2.3049,-.9604,2.7211;-3.1786,-2.4125,2.1453;-.2425,-.0143,-2.0563;.5616,.4878,-1.5124;.2062,-.7171,-2.7749;-.8305,.7474,-2.5869; 0.6193120 0.3053614 0.2675552 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= 369 369 369 369 369 MxSgAt= 38 MxSgA2= 38. 1 open 1 1 1 -754.249127253131 -754.249127253 1 0.7824 7.458091853524e+02 -4.399806382234e+03 1.574072162736e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572580802 LenY= 1572443461 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. 0.7824 Using compressed storage, NAtomX= 38. Will process 39 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111111111 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. 11451 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= 114 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= 114 NMatS0= 114 NMatT0= 0 NMatD0= 114 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 117 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 114 vectors produced by pass 0 Test12= 3.75D-14 1.00D-09 XBig12= 2.23D+02 7.52D+00. AX will form 114 AO Fock derivatives at one time. 114 vectors produced by pass 1 Test12= 3.75D-14 1.00D-09 XBig12= 2.52D+01 8.71D-01. 114 vectors produced by pass 2 Test12= 3.75D-14 1.00D-09 XBig12= 6.44D-01 1.34D-01. 114 vectors produced by pass 3 Test12= 3.75D-14 1.00D-09 XBig12= 1.02D-02 1.98D-02. 114 vectors produced by pass 4 Test12= 3.75D-14 1.00D-09 XBig12= 1.04D-04 1.24D-03. 114 vectors produced by pass 5 Test12= 3.75D-14 1.00D-09 XBig12= 1.01D-06 9.60D-05. 114 vectors produced by pass 6 Test12= 3.75D-14 1.00D-09 XBig12= 9.82D-09 7.71D-06. 63 vectors produced by pass 7 Test12= 3.75D-14 1.00D-09 XBig12= 7.65D-11 7.52D-07. 8 vectors produced by pass 8 Test12= 3.75D-14 1.00D-09 XBig12= 6.22D-13 4.92D-08. 3 vectors produced by pass 9 Test12= 3.75D-14 1.00D-09 XBig12= 4.99D-15 4.41D-09. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 872 with 117 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 198.50 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 233.824 21.221 199.737 -2.067 15.525 161.951 224.872 21.587 215.505 -4.826 14.437 198.177 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 C C C H H N N B H C C C C H C H C H C H H C H H H O C H H H C H H H C H H H 13 13 13 1 1 14 14 11 1 13 13 13 13 1 13 1 13 1 13 1 1 13 1 1 1 17 13 1 1 1 13 1 1 1 13 1 1 1 -0.00884 -0.00207 -0.00433 -0.00039 -0.00013 0.03588 0.03780 0.07263 -0.00604 -0.02258 0.00912 0.01856 -0.00305 -0.00047 -0.00152 -0.00014 0.00446 0.00020 -0.05562 0.00683 0.00553 0.09041 -0.00688 0.00014 -0.00035 0.03187 -0.00069 0.00174 -0.00021 0.00127 -0.00359 0.00139 0.00204 0.00007 -0.00564 0.00024 0.00244 0.00160 -9.93401 -2.32961 -4.87239 -1.73742 -0.59917 11.59193 12.21399 104.18144 -27.00800 -25.38281 10.24815 20.85980 -3.43362 -2.09122 -1.70888 -0.64522 5.01626 0.91499 -62.53185 30.54635 24.72752 101.63722 -30.74035 0.63540 -1.55160 -19.32179 -0.77744 7.79426 -0.92139 5.68056 -4.03786 6.23230 9.10008 0.31412 -6.34417 1.07069 10.89204 7.16676 -3.54470 -0.83126 -1.73859 -0.61995 -0.21380 4.13629 4.35825 37.17453 -9.63713 -9.05722 3.65679 7.44330 -1.22520 -0.74620 -0.60977 -0.23023 1.78993 0.32649 -22.31292 10.89970 8.82340 36.26669 -10.96892 0.22673 -0.55365 -6.89450 -0.27741 2.78118 -0.32878 2.02697 -1.44081 2.22384 3.24713 0.11209 -2.26376 0.38205 3.88655 2.55728 -3.31363 -0.77708 -1.62525 -0.57954 -0.19986 3.86665 4.07415 34.75119 -9.00890 -8.46679 3.41841 6.95808 -1.14533 -0.69755 -0.57002 -0.21522 1.67324 0.30521 -20.85838 10.18917 8.24821 33.90253 -10.25388 0.21195 -0.51756 -6.44506 -0.25932 2.59988 -0.30734 1.89483 -1.34688 2.07887 3.03546 0.10478 -2.11619 0.35714 3.63319 2.39057 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 -0.010408 -0.004678 0.002501 -0.001180 0.002347 -0.031301 -0.065388 -0.070254 -0.016334 0.005547 -0.001105 -0.006797 0.007058 0.000962 0.008651 0.002024 -0.007398 0.001509 0.059700 -0.009550 -0.009030 -0.210229 0.015708 0.001453 0.002370 -0.161881 0.007749 0.005403 0.004583 0.003410 0.000370 -0.001479 -0.000334 0.000414 -0.001848 -0.002140 -0.001132 -0.003816 0.081443 0.013951 0.001962 -0.001297 -0.000493 0.147972 0.190068 0.164529 -0.000859 -0.001339 -0.008461 -0.005501 -0.001647 -0.000317 -0.001820 -0.001435 -0.000428 -0.000730 -0.134755 0.003508 0.003839 0.330194 0.002760 -0.000668 -0.001640 0.261973 -0.002669 -0.002276 -0.001745 0.000798 -0.002809 -0.000380 -0.002485 -0.000519 -0.001813 0.000489 -0.002029 -0.000270 -0.071035 -0.009273 -0.004463 0.002476 -0.001855 -0.116671 -0.124680 -0.094276 0.017192 -0.004207 0.009567 0.012297 -0.005411 -0.000645 -0.006831 -0.000589 0.007826 -0.000779 0.075056 0.006042 0.005190 -0.119965 -0.018468 -0.000784 -0.000730 -0.100093 -0.005080 -0.003127 -0.002838 -0.004208 0.002439 0.001860 0.002819 0.000105 0.003661 0.001651 0.003160 0.004087 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 -0.099195 -0.007633 -0.001987 0.000333 0.002548 -0.156646 -0.165031 -0.077221 -0.003751 0.005219 -0.006062 -0.001588 0.002560 0.000765 0.000761 -0.001863 -0.006979 -0.000086 0.064367 -0.003492 -0.001549 -0.174173 0.015422 -0.000398 -0.000439 -0.067604 0.003332 -0.000859 -0.000376 0.000766 0.001843 0.002036 0.000640 0.002047 0.002052 0.000170 -0.000154 0.000447 -0.003709 0.001779 0.002784 0.003121 0.000307 -0.033449 -0.037704 0.005456 0.000942 -0.000696 0.015678 -0.003766 -0.003929 0.002205 -0.003193 -0.001451 0.007846 -0.000233 0.019798 0.004471 -0.004774 -0.094592 -0.025915 -0.000821 -0.001038 -0.042563 -0.000626 -0.002776 0.002114 -0.000780 -0.003259 -0.001552 -0.003415 -0.002770 -0.001308 -0.004138 -0.002546 -0.000141 0.004843 0.005651 -0.001016 0.000735 -0.000249 0.055541 0.080995 -0.004642 -0.005261 0.012112 -0.012475 -0.014985 0.008109 0.001355 0.007727 0.003200 -0.017103 0.000220 -0.083216 -0.001468 -0.004806 0.302697 0.001674 0.000280 -0.000762 0.197956 -0.001743 0.000378 0.000085 -0.000784 -0.001899 -0.004178 -0.000656 -0.002139 0.000064 0.000931 0.000504 -0.000265 0.8303 0.5243 0.189 -0.1444 -0.1251 0.9816 -0.5383 0.8423 0.0281 -0.0739 -0.0711 0.145 -9.916 -9.542 19.457 -3.538 -3.405 6.943 -3.308 -3.183 6.49 1 C 13 -0.49 -0.3147 0.813 0.8158 0.1632 0.5548 -0.3073 0.9351 0.1768 -0.0125 -0.005 0.0175 -1.682 -0.67 2.352 -0.6 -0.239 0.839 -0.561 -0.224 0.785 2 C 13 -0.3203 0.0439 0.9463 0.5632 0.812 0.153 0.7617 -0.582 0.2848 -0.0055 4.0E-4 0.0051 -0.732 0.053 0.679 -0.261 0.019 0.242 -0.244 0.018 0.227 3 C 13 0.8639 0.0481 -0.5014 -0.1116 0.989 -0.0975 0.4911 0.1402 0.8597 -0.003 -0.0014 0.0044 -1.586 -0.751 2.336 -0.566 -0.268 0.834 -0.529 -0.25 0.779 4 H 1 -0.4007 0.6536 0.6421 0.3084 -0.5637 0.7662 0.8627 0.5051 0.0243 -0.0023 -0.0015 0.0038 -1.227 -0.826 2.053 -0.438 -0.295 0.732 -0.409 -0.275 0.685 5 H 1 0.2321 -0.0635 0.9706 0.8376 0.5203 -0.1663 -0.4945 0.8516 0.174 -0.1283 -0.122 0.2503 -4.948 -4.704 9.652 -1.766 -1.678 3.444 -1.651 -1.569 3.22 6 N 14 0.7512 0.477 -0.4562 0.501 0.038 0.8646 -0.4298 0.8781 0.2105 -0.1473 -0.143 0.2903 -5.68 -5.514 11.194 -2.027 -1.968 3.994 -1.895 -1.839 3.734 7 N 14 -0.636 -0.1739 0.7518 0.7163 0.2294 0.659 -0.2871 0.9577 -0.0213 -0.0978 -0.09 0.1878 -16.748 -15.403 32.15 -5.976 -5.496 11.472 -5.586 -5.138 10.724 8 B 11 0.9741 0.2262 0.0079 -0.2196 0.9362 0.2743 0.0546 -0.2689 0.9616 -0.0172 -0.0015 0.0187 -9.176 -0.811 9.986 -3.274 -0.289 3.563 -3.061 -0.27 3.331 9 H 1 0.1881 -0.6714 0.7168 0.8256 -0.2873 -0.4857 0.532 0.6832 0.5002 -0.0157 0.0041 0.0116 -2.111 0.556 1.556 -0.753 0.198 0.555 -0.704 0.185 0.519 10 C 13 -0.3035 0.7624 0.5715 0.7964 0.5323 -0.287 0.523 -0.3681 0.7688 -0.0154 -0.0108 0.0262 -2.067 -1.45 3.517 -0.737 -0.517 1.255 -0.689 -0.484 1.173 11 C 13 0.3629 0.7972 0.4825 0.9275 -0.3589 -0.1044 -0.0899 -0.4854 0.8696 -0.0153 -0.0058 0.0211 -2.052 -0.773 2.825 -0.732 -0.276 1.008 -0.685 -0.258 0.942 12 C 13 0.2274 -0.6013 0.7659 0.1201 0.7979 0.5907 0.9664 0.0424 -0.2537 -0.0129 0.0047 0.0082 -1.737 0.636 1.101 -0.62 0.227 0.393 -0.579 0.212 0.367 13 C 13 -0.4484 -0.3594 0.8184 -0.5218 0.8487 0.0868 0.7257 0.3881 0.5681 -0.0024 -6.0E-4 0.0031 -1.307 -0.346 1.653 -0.466 -0.124 0.59 -0.436 -0.115 0.551 14 H 1 0.14 -0.5736 0.8071 0.2156 0.8132 0.5406 0.9664 -0.0984 -0.2375 -0.0129 0.0035 0.0094 -1.728 0.472 1.256 -0.617 0.168 0.448 -0.576 0.157 0.419 15 C 13 0.081 0.7683 -0.6349 0.7157 0.3985 0.5735 0.6937 -0.5009 -0.5176 -0.0043 -2.0E-4 0.0045 -2.281 -0.094 2.375 -0.814 -0.033 0.847 -0.761 -0.031 0.792 16 H 1 0.1769 0.8047 0.5668 0.934 0.0444 -0.3545 0.3104 -0.5921 0.7437 -0.014 -0.0107 0.0247 -1.88 -1.437 3.316 -0.671 -0.513 1.183 -0.627 -0.479 1.106 17 C 13 0.0487 -0.6476 0.7604 0.1041 0.7605 0.641 0.9934 -0.048 -0.1045 -0.001 -6.0E-4 0.0015 -0.523 -0.297 0.82 -0.187 -0.106 0.293 -0.175 -0.099 0.274 18 H 1 -0.2678 0.9106 0.3148 0.9593 0.2217 0.1748 -0.0894 -0.3489 0.9329 -0.1825 0.0782 0.1043 -24.484 10.491 13.993 -8.737 3.743 4.993 -8.167 3.499 4.668 19 C 13 0.9527 0.2013 -0.2278 -0.0637 0.8649 0.4979 0.2972 -0.4598 0.8368 -0.0114 0.0029 0.0084 -6.059 1.558 4.501 -2.162 0.556 1.606 -2.021 0.52 1.501 20 H 1 0.922 0.2021 0.3303 -0.3568 0.7749 0.5217 -0.1505 -0.5989 0.7866 -0.0111 0.0013 0.0098 -5.911 0.703 5.209 -2.109 0.251 1.859 -1.972 0.234 1.737 21 H 1 0.4312 -0.3012 0.8505 0.8649 0.4064 -0.2945 -0.2569 0.8626 0.4358 -0.2751 -0.2599 0.535 -36.92 -34.87 71.79 -13.174 -12.443 25.617 -12.315 -11.632 23.947 22 C 13 0.5019 -0.2441 0.8298 -0.2195 0.892 0.3952 0.8366 0.3805 -0.3941 -0.0346 -3.0E-4 0.0349 -18.48 -0.157 18.637 -6.594 -0.056 6.65 -6.164 -0.052 6.217 23 H 1 0.2329 -0.3628 0.9023 0.2812 0.9133 0.2946 0.931 -0.1851 -0.3148 -0.0011 -7.0E-4 0.0018 -0.592 -0.374 0.965 -0.211 -0.133 0.344 -0.197 -0.125 0.322 24 H 1 0.1994 0.8155 0.5434 0.2023 -0.5768 0.7914 0.9588 -0.0479 -0.28 -0.0023 -4.0E-4 0.0027 -1.203 -0.235 1.438 -0.429 -0.084 0.513 -0.401 -0.078 0.48 25 H 1 0.4928 -0.2841 0.8225 0.8572 0.3208 -0.4028 -0.1495 0.9035 0.4016 -0.194 -0.1672 0.3611 14.035 12.097 -26.132 5.008 4.317 -9.324 4.681 4.035 -8.717 26 O 17 -0.0865 0.519 0.8504 -0.2869 0.8044 -0.5202 0.9541 0.289 -0.0793 -0.0061 -0.0027 0.0088 -0.816 -0.366 1.182 -0.291 -0.131 0.422 -0.272 -0.122 0.394 27 C 13 0.2772 -0.0739 0.958 0.1241 0.9914 0.0406 0.9528 -0.1076 -0.284 -0.004 -0.0024 0.0063 -2.113 -1.263 3.376 -0.754 -0.451 1.205 -0.705 -0.421 1.126 28 H 1 -0.2587 -0.1068 0.96 0.0203 0.993 0.116 0.9658 -0.0495 0.2547 -0.0034 -0.0017 0.0052 -1.823 -0.93 2.753 -0.65 -0.332 0.982 -0.608 -0.31 0.918 29 H 1 0.0853 0.1367 0.9869 -0.2937 0.95 -0.1062 0.9521 0.2808 -0.1212 -0.0044 6.0E-4 0.0037 -2.339 0.346 1.993 -0.835 0.124 0.711 -0.78 0.115 0.665 30 H 1 -0.3346 0.9357 0.1119 0.7464 0.1906 0.6376 -0.5753 -0.2969 0.7622 -0.0037 -0.0019 0.0056 -0.496 -0.261 0.757 -0.177 -0.093 0.27 -0.165 -0.087 0.252 31 C 13 -0.3671 0.7955 0.4822 0.8737 0.1169 0.4722 -0.3193 -0.5946 0.7379 -0.0039 -0.002 0.0059 -2.055 -1.091 3.147 -0.733 -0.389 1.123 -0.686 -0.364 1.05 32 H 1 -0.5834 0.7668 -0.2677 0.6088 0.631 0.4808 -0.5376 -0.1175 0.835 -0.0027 -0.0024 0.0051 -1.463 -1.263 2.727 -0.522 -0.451 0.973 -0.488 -0.421 0.909 33 H 1 0.5374 0.2905 0.7917 -0.5658 0.8203 0.083 0.6253 0.4926 -0.6052 -0.0026 -0.0021 0.0047 -1.366 -1.146 2.512 -0.487 -0.409 0.896 -0.456 -0.382 0.838 34 H 1 0.7227 -0.6791 0.1289 0.6469 0.7302 0.2198 -0.2434 -0.0754 0.967 -0.004 0.0 0.004 -0.538 0.003 0.535 -0.192 0.001 0.191 -0.179 0.001 0.178 35 C 13 0.8305 -0.1207 0.5438 0.1958 0.9772 -0.0822 -0.5215 0.1748 0.8352 -0.0049 4.0E-4 0.0044 -2.601 0.237 2.364 -0.928 0.085 0.843 -0.868 0.079 0.788 36 H 1 0.8657 -0.264 0.4253 0.2732 0.9611 0.0405 -0.4194 0.0812 0.9042 -0.0023 -0.0021 0.0044 -1.246 -1.094 2.341 -0.445 -0.391 0.835 -0.416 -0.365 0.781 37 H 1 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) PT9484.900S Tue Oct 8 12:12:48 2024 -19.27954 -14.50954 -14.50658 -10.34748 -10.34717 -10.34587 -10.34511 -10.34107 -10.33330 -10.33132 -10.28006 -10.27949 -10.27902 -10.27838 -10.27584 -10.27461 -10.26077 -6.79854 -1.15236 -1.13810 -1.02871 -0.92171 -0.88419 -0.84469 -0.83987 -0.81139 -0.81006 -0.78735 -0.78424 -0.71084 -0.69337 -0.66557 -0.66254 -0.65272 -0.63586 -0.59672 -0.58944 -0.58620 -0.56322 -0.55443 -0.55322 -0.54304 -0.53946 -0.53610 -0.53534 -0.51181 -0.50726 -0.49283 -0.48765 -0.47990 -0.47873 -0.47647 -0.45934 -0.44365 -0.43572 -0.42940 -0.40841 -0.40044 -0.39128 -0.37835 -0.36384 -0.35605 -0.31423 -0.30823 -0.29174 -0.16857 0.07019 0.08062 0.08284 0.09001 0.13015 0.14421 0.14699 0.16153 0.17243 0.17655 0.18465 0.18779 0.19576 0.19843 0.20314 0.20971 0.21221 0.21837 0.22109 0.23016 0.23550 0.23926 0.24315 0.24816 0.25364 0.26424 0.28474 0.29068 0.30034 0.31096 0.31778 0.33190 0.35200 0.35572 0.37686 0.39131 0.39644 0.40414 0.40929 0.41560 0.43085 0.44310 0.44521 0.44664 0.47656 0.47764 0.49283 0.49840 0.51284 0.52253 0.52437 0.53851 0.54127 0.54959 0.55133 0.56495 0.56773 0.57649 0.58076 0.58767 0.59985 0.60184 0.61434 0.61760 0.64311 0.65838 0.66512 0.67066 0.67739 0.68479 0.69316 0.70061 0.70478 0.70565 0.71321 0.72034 0.73060 0.73498 0.73900 0.73975 0.74604 0.75095 0.75684 0.75999 0.76423 0.77028 0.77262 0.77751 0.78640 0.79366 0.79896 0.80199 0.80671 0.81068 0.82418 0.82853 0.84088 0.84644 0.85206 0.86544 0.87813 0.88102 0.89165 0.90190 0.90773 0.91910 0.92794 0.93719 0.94544 0.96354 0.97540 1.00509 1.01642 1.02187 1.05132 1.06432 1.07328 1.08843 1.10788 1.13145 1.14719 1.16740 1.17784 1.20574 1.21489 1.22426 1.22953 1.26753 1.27912 1.29774 1.30480 1.31508 1.32808 1.34028 1.34696 1.34996 1.35551 1.37463 1.38033 1.38811 1.40156 1.40351 1.42885 1.43083 1.44611 1.47324 1.48400 1.51620 1.57136 1.57377 1.59687 1.60674 1.61811 1.61871 1.63857 1.65099 1.66792 1.67518 1.67925 1.69953 1.72161 1.73219 1.74061 1.76113 1.77660 1.78698 1.79106 1.79643 1.81758 1.82645 1.84153 1.84450 1.85603 1.85679 1.86441 1.87256 1.87609 1.87879 1.88427 1.88938 1.89248 1.90198 1.90794 1.90891 1.92719 1.93207 1.94581 1.95197 1.96136 1.96812 1.97205 1.98334 1.99084 2.00084 2.01805 2.02103 2.02779 2.04289 2.05266 2.08439 2.08652 2.09428 2.09999 2.10831 2.11987 2.12752 2.14947 2.15523 2.16768 2.18604 2.19273 2.20767 2.21643 2.22527 2.25364 2.26240 2.26777 2.28557 2.32079 2.32450 2.33700 2.35161 2.35496 2.37302 2.39730 2.41171 2.41963 2.42405 2.42839 2.44794 2.45187 2.46145 2.47634 2.49717 2.50131 2.50776 2.51603 2.53581 2.54558 2.58244 2.61138 2.61167 2.65284 2.66684 2.72096 2.72787 2.73792 2.74142 2.75221 2.76557 2.77586 2.79657 2.81283 2.81967 2.83402 2.84573 2.86963 2.88529 2.90397 2.90951 2.92190 2.93730 2.95019 2.97849 2.98070 2.99514 2.99648 3.01653 3.01887 3.02698 3.04828 3.07381 3.10989 3.16442 3.16892 3.19149 3.22623 3.22902 3.27512 3.33671 3.43349 3.48245 3.56218 3.59546 3.65637 3.72320 -19.27765 -14.50752 -14.50427 -10.34758 -10.34616 -10.34593 -10.34513 -10.34094 -10.33342 -10.32555 -10.28089 -10.28017 -10.27959 -10.27881 -10.27544 -10.27425 -10.26129 -6.79561 -1.14689 -1.13449 -1.02413 -0.92133 -0.88248 -0.84078 -0.83479 -0.81096 -0.80933 -0.78682 -0.78427 -0.70940 -0.68788 -0.66451 -0.66156 -0.64850 -0.63402 -0.59306 -0.58592 -0.58100 -0.56082 -0.55129 -0.54751 -0.54050 -0.53741 -0.53265 -0.53086 -0.51097 -0.50628 -0.49227 -0.48682 -0.47908 -0.47725 -0.47420 -0.45737 -0.44224 -0.43465 -0.41804 -0.40409 -0.39675 -0.38924 -0.36572 -0.36159 -0.34109 -0.30789 -0.30616 -0.28589 0.03356 0.08313 0.08435 0.09380 0.10482 0.13069 0.14430 0.14723 0.16187 0.17263 0.17738 0.18747 0.19128 0.19670 0.19995 0.20522 0.21024 0.21399 0.22137 0.22277 0.23211 0.23679 0.24003 0.24534 0.25250 0.25710 0.26746 0.28649 0.29254 0.30160 0.31144 0.31934 0.33433 0.35628 0.35846 0.37881 0.39225 0.39854 0.40539 0.41006 0.41623 0.43160 0.44477 0.44756 0.45104 0.47817 0.48185 0.49434 0.49971 0.51382 0.52409 0.52681 0.54087 0.54456 0.55130 0.55236 0.56729 0.56911 0.58115 0.58198 0.59025 0.60198 0.60510 0.61680 0.62232 0.64398 0.65910 0.66770 0.67176 0.67813 0.68565 0.69518 0.70146 0.70629 0.70775 0.71555 0.72125 0.73156 0.73547 0.73968 0.74152 0.74690 0.75168 0.75758 0.76035 0.76550 0.77257 0.77380 0.77853 0.78736 0.79487 0.80144 0.80377 0.80727 0.81104 0.82522 0.82861 0.84196 0.84741 0.85239 0.86665 0.87853 0.88220 0.89281 0.90338 0.90896 0.92101 0.92940 0.93935 0.94666 0.96527 0.97748 1.00845 1.01861 1.02386 1.05323 1.06612 1.07465 1.09151 1.11048 1.13583 1.14963 1.16910 1.17871 1.20995 1.21697 1.22769 1.23339 1.26935 1.28227 1.29993 1.30635 1.31755 1.32979 1.34282 1.35049 1.35364 1.35906 1.37627 1.38176 1.39050 1.40476 1.40678 1.43030 1.43177 1.44969 1.47790 1.48565 1.52295 1.57219 1.57841 1.59823 1.60780 1.61962 1.62049 1.64015 1.65577 1.67007 1.67702 1.68320 1.70295 1.72214 1.73519 1.74337 1.76303 1.77888 1.78744 1.79321 1.79690 1.81897 1.82749 1.84310 1.84524 1.85704 1.85786 1.86479 1.87315 1.87685 1.87996 1.88513 1.89068 1.89372 1.90376 1.90980 1.91392 1.92856 1.93478 1.94647 1.95433 1.96266 1.96947 1.97454 1.98547 1.99343 2.00198 2.01961 2.02553 2.02995 2.04628 2.05293 2.08584 2.08852 2.09516 2.10050 2.11010 2.12277 2.13318 2.15251 2.15820 2.17021 2.18747 2.19542 2.20865 2.21837 2.22564 2.25613 2.26266 2.26907 2.28594 2.32288 2.32401 2.34054 2.35278 2.35620 2.37476 2.39807 2.41285 2.42095 2.42515 2.42966 2.44910 2.45267 2.46291 2.47673 2.49807 2.50274 2.50880 2.51696 2.53731 2.54724 2.58396 2.61475 2.61610 2.65372 2.66825 2.72202 2.72942 2.73953 2.74238 2.75353 2.76873 2.77846 2.79842 2.81478 2.82191 2.83433 2.84594 2.87352 2.88754 2.90683 2.91232 2.92351 2.93963 2.95306 2.98036 2.98497 2.99553 2.99689 3.01594 3.02009 3.02877 3.04927 3.07455 3.11288 3.16479 3.17005 3.19743 3.22732 3.23029 3.28031 3.33711 3.43566 3.48463 3.56465 3.59619 3.66028 3.72345 2-A. -1.99979940e+00 -6.21122963e-01 -5.02618299e-01 2.33824211e+02 2.12209007e+01 1.99736936e+02 -2.06683048e+00 1.55252499e+01 1.61950666e+02 -590.1321 -8.3167 0.0005 0.0006 0.0008 4.0821 7.6835 16.5631 38.4046 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -590.1320 16.3980 38.3843 64.1240 77.5069 91.0561 112.9405 123.4786 128.8470 143.2851 173.6283 192.7072 222.9216 234.5226 248.2104 264.3389 281.1775 300.6018 343.1490 364.8033 397.8660 419.0882 459.3772 488.3061 571.3938 593.1207 609.5719 615.5036 638.6626 653.9074 691.5060 698.7571 715.8963 723.1813 729.8514 768.5040 806.6888 828.3615 852.5034 862.5132 880.8553 906.7474 942.2632 948.0047 1015.4703 1017.7350 1024.6833 1032.2291 1059.4428 1064.4211 1067.4476 1082.2816 1103.3766 1109.2973 1131.1753 1146.4952 1152.1420 1174.4636 1186.7641 1190.8773 1207.4181 1223.2670 1224.8298 1256.3814 1287.4718 1318.9144 1330.9236 1359.9420 1382.4937 1400.9011 1410.0204 1444.1205 1453.5554 1458.2548 1464.5059 1471.9585 1473.5411 1478.5240 1487.1026 1493.6061 1499.7751 1518.1048 1531.7364 1534.2712 1583.9493 1652.0884 1657.8437 1684.4953 2543.0500 3020.9862 3059.5535 3062.8377 3106.8012 3153.3737 3158.4115 3168.8016 3172.6845 3173.0580 3183.3351 3185.2607 3196.0903 3204.0144 3218.1630 3223.7898 3229.8390 3271.4428 3291.0509 3312.7615 8.4520 3.8722 4.4449 3.9261 3.8841 4.0046 2.6229 3.5418 1.7427 1.0833 3.1107 2.6682 3.1215 3.7062 3.7740 1.5641 2.6819 2.0093 2.7619 2.4750 2.7879 2.8290 3.2056 2.9787 2.0300 4.7698 2.9314 3.4800 6.0820 1.9547 2.3681 1.8846 1.5413 1.7901 1.7494 2.4848 3.3840 2.4504 1.3460 1.5469 1.2549 1.3027 1.9087 1.4386 1.4092 5.5331 2.1165 1.3709 1.8084 2.1001 1.9506 1.4276 1.1365 1.5350 2.1058 1.3172 1.3070 1.0929 1.4029 2.4375 1.1238 1.5365 2.3155 1.6341 3.2459 1.9586 1.7805 2.4793 4.1361 1.2143 5.7519 1.4364 1.3852 1.0745 1.1586 1.2315 1.5802 1.2123 1.1355 1.1536 1.0618 2.4407 2.6955 2.4924 2.8885 5.7200 5.3621 6.1313 1.0932 1.0358 1.0391 1.0342 1.1036 1.1069 1.1066 1.1011 1.0625 1.0880 1.1067 1.0864 1.0913 1.0958 1.1005 1.0918 1.1014 1.1140 1.0912 1.1125 1.7342 0.0006 0.0039 0.0095 0.0137 0.0196 0.0197 0.0318 0.0170 0.0131 0.0553 0.0584 0.0914 0.1201 0.1370 0.0644 0.1249 0.1070 0.1916 0.1941 0.2600 0.2928 0.3986 0.4185 0.3905 0.9886 0.6418 0.7768 1.4616 0.4924 0.6672 0.5422 0.4654 0.5516 0.5491 0.8646 1.2975 0.9907 0.5764 0.6780 0.5737 0.6311 0.9985 0.7618 0.8562 3.3767 1.3093 0.8606 1.1959 1.4019 1.3095 0.9853 0.8152 1.1129 1.5875 1.0201 1.0222 0.8882 1.1641 2.0367 0.9653 1.3547 2.0467 1.5198 3.1700 2.0074 1.8582 2.7016 4.6577 1.4040 6.7378 1.7650 1.7243 1.3462 1.4641 1.5721 2.0216 1.5615 1.4795 1.5163 1.4071 3.3141 3.7262 3.4567 4.2697 9.1985 8.6830 10.2504 4.1655 5.5694 5.7308 5.7164 6.2761 6.4848 6.5039 6.5145 6.3014 6.4542 6.6077 6.4943 6.5679 6.6275 6.7154 6.6854 6.7693 7.0245 6.9637 7.1932 378.3091 0.3290 0.2393 1.5180 0.4059 0.1717 0.3641 0.2469 1.0790 0.0299 4.1890 2.2928 0.9266 3.7979 2.6930 2.6447 4.5524 6.8358 2.0746 5.4293 1.6144 0.4333 9.5890 3.8045 32.1998 2.9953 10.9499 2.7694 1.4057 23.2487 16.5333 57.7769 41.5243 13.8385 20.7108 27.7700 2.2775 19.3780 0.2181 33.1729 0.3340 6.9671 43.5564 1.5803 0.5995 0.4158 19.3356 1.6619 19.3123 11.0970 9.0885 21.2194 15.4937 7.2187 28.3321 0.1182 1.7491 0.5345 13.0115 50.8133 1.9070 40.7661 92.9603 35.5929 16.4452 3.5421 113.3655 0.3367 26.0900 15.5980 135.6403 22.4110 17.1956 20.8041 4.5407 0.0787 13.0058 11.3265 5.8392 10.6159 10.1285 170.4485 76.8867 89.6230 62.4846 5.8420 19.3836 11.7167 140.7062 58.6881 40.4228 60.6075 23.6018 7.7908 8.0358 17.9049 4.5345 8.1207 4.2154 7.1110 3.0369 34.4592 24.1661 6.7995 1.3723 3.3961 4.1463 0.3681 0.07 -0.05 0.04 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.02 -0.02 -0.05 0.01 0.03 0.01 0.01 -0.03 0.12 -0.53 -0.05 -0.06 0.30 0.07 0.02 -0.02 -0.01 -0.00 -0.01 0.01 0.02 -0.01 -0.02 -0.00 0.00 -0.00 0.01 -0.02 0.03 0.01 0.00 -0.01 0.02 -0.01 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 -0.18 0.59 0.05 -0.02 -0.20 -0.13 0.17 -0.24 -0.17 -0.04 -0.05 -0.00 -0.02 -0.01 0.05 0.02 0.00 -0.01 0.01 0.01 0.01 0.02 0.04 0.02 -0.00 -0.01 -0.00 0.01 -0.03 0.01 0.02 0.00 -0.01 0.05 -0.02 -0.04 -0.01 -0.01 -0.00 0.00 -0.02 -0.01 0.01 -0.03 0.05 -0.01 -0.01 0.03 -0.00 -0.01 -0.01 -0.00 0.01 -0.02 0.05 0.02 -0.01 0.02 -0.02 -0.06 0.00 0.02 -0.01 -0.03 -0.00 0.02 -0.00 -0.00 0.04 -0.06 -0.01 0.03 0.01 -0.01 0.07 0.02 0.01 0.02 -0.03 0.01 -0.01 0.02 0.04 -0.04 0.01 0.09 -0.03 0.02 0.00 -0.01 0.08 -0.12 0.16 -0.01 0.10 -0.13 0.09 -0.14 0.21 0.10 -0.21 0.27 0.01 0.08 -0.09 -0.04 0.18 -0.25 0.06 -0.04 0.08 0.13 -0.24 0.34 0.05 0.05 -0.11 0.09 0.08 -0.02 0.10 0.09 -0.19 -0.05 0.01 -0.13 -0.09 -0.00 -0.22 -0.02 0.16 -0.18 0.07 -0.06 0.12 -0.12 -0.03 -0.05 -0.08 -0.03 0.06 -0.02 -0.00 0.06 -0.14 -0.07 0.11 -0.04 -0.02 0.10 0.06 0.02 0.03 0.08 0.05 0.02 0.04 0.02 0.02 0.07 -0.01 0.05 -0.07 0.02 -0.03 -0.03 -0.01 -0.06 -0.11 0.03 -0.07 -0.08 0.04 0.02 -0.03 -0.05 0.01 -0.08 -0.06 0.05 -0.05 -0.05 0.07 -0.11 -0.06 0.06 -0.05 -0.05 0.10 -0.02 -0.05 0.04 -0.07 -0.06 0.02 -0.02 -0.05 -0.01 -0.01 -0.07 -0.01 -0.02 -0.01 -0.01 -0.04 -0.04 0.09 -0.01 0.08 -0.09 -0.04 0.03 0.09 -0.05 -0.11 0.16 -0.01 0.15 -0.10 0.01 0.10 -0.17 -0.02 0.13 -0.01 -0.05 0.01 0.17 -0.02 -0.07 0.02 -0.08 -0.05 -0.08 -0.07 -0.12 0.11 0.12 -0.02 0.04 0.19 -0.05 0.14 0.01 0.23 -0.17 -0.02 0.18 -0.01 0.21 0.06 -0.05 0.15 0.11 -0.18 0.10 0.09 -0.18 0.23 0.18 -0.24 0.06 0.10 -0.23 0.01 -0.05 0.05 0.01 -0.06 0.02 0.04 -0.05 0.05 0.01 -0.04 0.07 -0.10 -0.06 -0.01 -0.06 -0.09 -0.04 -0.16 -0.06 -0.05 -0.11 -0.03 0.03 0.00 -0.03 -0.01 -0.02 0.06 -0.02 -0.07 0.14 -0.01 -0.01 0.06 -0.02 -0.12 0.23 -0.00 -0.06 0.09 -0.01 0.03 -0.04 -0.02 0.02 -0.08 -0.00 0.02 -0.11 -0.01 0.03 -0.05 0.00 -0.01 -0.03 0.04 0.06 0.01 -0.04 -0.01 0.06 0.01 -0.03 -0.07 0.08 0.05 0.10 -0.06 0.09 -0.01 -0.06 0.01 0.12 -0.04 -0.05 0.07 0.04 0.03 -0.09 0.03 0.03 -0.08 0.05 0.03 -0.08 0.02 0.01 -0.12 0.02 0.00 -0.13 -0.01 0.08 0.14 -0.10 0.01 0.19 -0.06 -0.00 -0.15 0.03 -0.00 -0.08 0.08 0.04 -0.02 0.05 -0.01 -0.12 0.08 -0.03 -0.06 0.15 -0.14 0.22 0.01 -0.23 0.15 0.09 -0.05 0.28 -0.06 -0.21 0.34 0.03 0.08 -0.13 -0.03 0.04 -0.06 -0.03 0.14 -0.19 0.07 0.10 -0.19 -0.14 -0.01 -0.03 -0.05 -0.16 0.12 0.04 -0.10 0.10 0.06 -0.23 0.19 0.07 -0.11 0.15 0.11 -0.00 -0.00 0.01 -0.10 0.03 -0.03 0.03 -0.06 -0.09 0.06 -0.09 -0.09 0.04 -0.00 -0.07 -0.02 0.06 -0.08 0.13 -0.05 0.02 0.01 0.07 0.02 -0.10 0.11 -0.16 0.17 -0.05 0.13 0.17 -0.09 0.02 0.11 0.00 0.14 -0.04 0.11 0.02 -0.02 -0.08 -0.04 -0.02 -0.09 -0.05 -0.02 -0.10 -0.03 -0.01 -0.06 -0.03 -0.01 -0.07 -0.03 0.25 -0.09 0.21 0.15 -0.01 0.23 -0.03 -0.01 -0.01 -0.03 0.06 0.02 0.03 0.08 0.03 -0.05 0.11 0.04 -0.09 0.07 0.02 0.09 -0.08 -0.00 0.10 -0.14 -0.11 0.17 -0.12 0.06 0.08 -0.06 0.03 -0.09 -0.03 -0.06 0.02 -0.16 -0.10 -0.25 -0.05 -0.14 -0.04 0.08 0.03 -0.02 0.02 -0.07 0.00 -0.19 -0.04 0.02 -0.12 -0.01 0.01 -0.30 -0.05 0.04 -0.16 0.03 -0.00 0.02 -0.02 -0.02 -0.09 -0.08 -0.01 0.04 -0.10 0.03 -0.00 -0.10 -0.01 0.06 -0.10 -0.01 0.04 -0.07 0.02 0.03 -0.06 0.03 -0.02 0.03 -0.03 0.07 -0.11 0.06 -0.04 0.04 0.01 0.05 -0.09 0.07 -0.07 0.10 0.03 -0.04 0.07 -0.01 0.02 0.10 -0.01 -0.03 0.06 -0.02 -0.01 0.12 -0.00 0.08 0.13 -0.00 0.12 0.17 0.08 -0.06 0.09 0.10 -0.13 0.19 0.02 0.07 0.11 0.03 -0.06 0.05 -0.04 -0.14 0.08 0.04 -0.04 0.04 0.10 -0.08 -0.04 -0.03 0.20 0.03 -0.07 0.21 0.12 0.01 0.29 -0.09 -0.06 0.26 0.09 -0.12 -0.01 -0.10 -0.07 -0.06 -0.12 -0.19 0.06 -0.20 -0.16 0.05 0.03 -0.03 -0.00 -0.01 0.00 -0.06 -0.03 -0.01 -0.06 -0.04 0.02 -0.08 -0.04 0.01 -0.09 -0.05 -0.03 -0.03 -0.02 -0.01 -0.03 -0.02 -0.04 0.00 0.01 -0.08 0.03 0.01 -0.03 -0.00 0.03 -0.05 0.03 0.01 -0.01 -0.01 0.05 -0.06 0.06 -0.01 -0.05 0.03 0.00 -0.01 0.02 0.04 0.01 -0.03 0.07 -0.04 0.06 0.00 -0.08 0.09 -0.03 0.17 0.08 -0.04 0.19 0.20 0.06 0.25 0.06 -0.14 0.12 -0.03 -0.11 0.11 -0.14 -0.24 0.00 0.02 0.05 -0.05 0.09 -0.01 0.03 -0.04 -0.00 0.07 0.02 0.17 0.20 0.06 0.18 -0.02 0.01 0.24 0.08 0.03 0.21 -0.05 -0.03 -0.03 -0.03 0.00 -0.01 -0.10 -0.03 -0.03 -0.03 -0.07 -0.05 -0.06 0.02 -0.02 0.12 -0.23 -0.05 -0.30 0.08 -0.23 -0.01 0.23 0.23 0.02 -0.07 0.01 0.03 -0.07 -0.01 0.01 -0.05 -0.01 0.05 -0.08 -0.01 0.01 -0.04 -0.02 0.01 -0.06 -0.00 0.03 -0.07 0.01 0.01 -0.05 -0.00 -0.00 -0.01 0.01 0.02 -0.06 0.01 -0.00 -0.04 0.01 0.05 -0.05 0.01 -0.01 0.02 -0.01 -0.02 -0.05 0.02 0.05 0.01 -0.01 0.08 -0.07 0.01 0.01 0.04 -0.02 -0.04 0.04 -0.01 -0.00 -0.07 -0.11 0.00 -0.05 -0.08 0.02 -0.12 -0.12 -0.03 0.02 -0.06 -0.03 0.01 -0.07 0.07 0.02 -0.02 0.01 0.09 -0.04 -0.09 0.22 0.03 -0.08 0.24 0.08 0.08 0.05 0.26 -0.15 0.51 0.20 -0.14 0.17 -0.18 -0.06 0.05 0.02 -0.03 0.16 0.13 -0.19 0.10 -0.07 -0.01 -0.03 -0.00 0.06 -0.08 0.03 -0.04 0.04 0.07 0.20 -0.10 0.13 0.04 -0.19 -0.10 0.03 -0.03 0.02 0.03 0.01 0.01 0.02 0.01 0.00 0.04 0.02 0.01 0.01 0.01 -0.01 0.01 -0.01 0.01 0.04 -0.01 0.02 0.03 -0.04 0.02 0.02 -0.04 0.02 0.03 -0.04 0.02 0.02 -0.03 0.01 0.03 -0.03 0.01 0.01 0.00 -0.02 0.02 -0.04 0.02 0.02 -0.01 -0.01 0.03 -0.04 0.02 0.01 0.01 -0.03 0.00 0.02 -0.04 -0.05 -0.06 -0.02 -0.06 -0.07 -0.05 -0.07 -0.05 0.00 -0.03 -0.04 -0.01 -0.02 -0.03 0.02 0.02 0.00 -0.02 -0.00 0.04 -0.06 -0.02 0.00 -0.03 -0.03 -0.00 -0.07 -0.05 -0.03 -0.06 -0.01 0.02 -0.08 -0.05 -0.01 -0.10 -0.04 0.08 0.02 -0.06 0.10 0.10 -0.07 0.12 -0.04 -0.05 0.08 0.02 -0.05 0.14 0.05 0.19 -0.22 0.04 -0.38 0.29 -0.30 -0.01 0.46 0.46 -0.00 0.01 0.00 0.02 -0.03 -0.01 0.01 -0.01 -0.00 0.03 -0.05 -0.01 0.01 -0.01 -0.00 -0.01 0.04 0.01 0.01 -0.02 -0.00 -0.00 0.00 0.01 0.00 -0.02 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 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 -0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.02 0.00 -0.01 0.02 0.00 0.00 -0.00 0.02 -0.02 0.05 0.02 -0.02 0.01 -0.02 0.02 -0.02 -0.00 -0.25 -0.50 -0.19 0.57 -0.06 0.10 -0.27 0.46 0.08 0.01 -0.00 0.00 0.02 -0.03 -0.00 -0.02 0.01 -0.03 0.01 0.02 0.04 0.02 0.03 -0.01 0.04 -0.03 -0.01 0.05 -0.03 -0.01 0.05 -0.06 -0.02 0.06 -0.06 -0.01 0.03 0.01 -0.01 0.03 0.00 -0.02 0.00 0.01 0.01 0.02 -0.02 0.01 -0.01 0.07 -0.01 0.02 0.04 -0.01 -0.05 0.06 -0.01 0.02 -0.03 0.00 0.04 0.06 -0.02 -0.05 -0.00 -0.01 -0.08 0.09 -0.01 -0.01 -0.05 0.01 0.06 -0.06 0.01 -0.10 0.01 0.10 -0.13 -0.00 0.04 -0.13 0.00 0.13 -0.02 -0.12 0.03 0.03 -0.23 0.02 -0.08 -0.02 -0.01 -0.00 -0.11 0.04 0.03 -0.19 -0.03 -0.07 0.24 0.05 0.18 0.39 0.03 -0.05 0.42 0.07 -0.38 0.26 0.10 0.05 0.02 -0.01 0.07 0.05 0.00 0.02 0.03 -0.02 0.06 -0.00 0.01 0.01 -0.02 -0.06 0.08 -0.09 -0.10 -0.09 -0.03 -0.11 0.02 0.03 0.01 -0.04 -0.01 0.05 0.01 0.01 0.01 0.02 -0.08 -0.02 0.03 0.03 0.01 0.04 -0.14 -0.06 -0.02 -0.08 0.01 -0.03 0.06 0.07 0.01 -0.03 -0.01 0.09 -0.04 0.00 -0.01 0.01 -0.10 -0.04 0.03 -0.09 0.02 0.02 -0.10 -0.00 0.01 0.00 -0.07 0.04 -0.12 0.06 0.00 -0.01 0.04 0.03 -0.14 0.05 -0.03 0.07 -0.02 0.01 0.04 0.03 -0.01 -0.02 0.04 0.02 -0.01 0.04 0.00 -0.04 0.03 -0.04 -0.05 0.03 -0.07 -0.07 0.09 -0.01 0.02 0.09 -0.07 0.16 0.02 -0.07 -0.04 0.02 0.02 0.01 0.07 0.08 -0.02 0.01 0.02 0.02 -0.04 0.04 0.06 -0.12 0.01 0.02 -0.22 -0.08 0.09 -0.02 0.06 -0.03 -0.20 0.15 0.02 -0.02 0.15 0.15 -0.25 0.43 0.24 0.32 0.18 0.33 -0.11 -0.07 -0.07 0.02 0.03 -0.07 -0.05 0.02 -0.01 0.06 -0.09 0.00 -0.10 0.03 0.01 0.10 -0.17 0.04 0.09 -0.06 -0.04 -0.07 0.11 -0.05 -0.01 -0.04 -0.02 -0.07 -0.05 -0.03 -0.00 -0.10 0.07 -0.04 -0.08 0.08 0.01 -0.11 0.09 -0.07 0.02 0.01 -0.06 -0.11 0.11 -0.00 -0.03 0.04 0.04 -0.15 0.12 -0.06 0.06 -0.04 -0.10 0.06 -0.03 0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.03 -0.01 0.04 -0.09 0.15 -0.12 0.01 -0.04 -0.01 0.00 0.01 -0.00 0.02 0.05 -0.02 0.01 0.00 -0.01 -0.03 0.02 0.03 0.15 0.14 0.02 0.12 0.12 0.06 0.28 0.25 -0.11 0.10 0.25 0.16 -0.07 0.09 -0.07 -0.24 0.34 -0.04 0.17 0.05 0.13 -0.14 -0.12 -0.29 -0.09 0.13 0.02 0.04 -0.14 -0.02 -0.02 -0.03 -0.01 0.11 -0.27 -0.05 0.01 -0.08 -0.02 -0.11 0.17 0.03 -0.03 -0.01 0.01 -0.00 0.05 -0.03 -0.02 0.08 -0.02 0.04 -0.13 -0.02 0.01 -0.12 0.01 0.12 -0.12 -0.01 -0.00 0.00 -0.01 -0.04 -0.15 0.04 0.13 -0.01 -0.02 0.18 -0.16 -0.02 0.05 0.08 -0.05 -0.06 0.05 0.00 0.02 0.06 0.04 0.03 -0.02 0.03 -0.03 0.17 0.07 -0.05 0.12 0.06 -0.08 0.23 0.09 0.18 0.02 -0.03 0.04 0.18 -0.10 -0.00 -0.09 -0.02 -0.05 0.08 -0.02 -0.06 0.28 -0.16 0.01 -0.04 -0.10 -0.14 0.13 0.19 -0.02 -0.08 -0.02 0.10 -0.00 -0.15 -0.15 -0.20 0.13 0.08 -0.24 -0.08 -0.02 0.02 0.04 -0.05 0.03 0.08 0.02 0.03 0.06 -0.02 0.01 0.03 -0.02 -0.03 -0.01 -0.09 0.03 -0.00 -0.02 -0.09 -0.03 -0.11 0.09 0.01 0.00 -0.14 -0.02 0.00 -0.14 -0.04 -0.10 0.05 0.00 0.01 0.04 0.01 -0.06 -0.02 -0.00 0.10 0.07 0.11 0.19 0.03 0.06 0.07 0.04 0.12 0.16 -0.01 -0.05 0.28 0.05 0.08 0.03 0.01 0.01 0.04 0.04 0.17 0.08 0.01 -0.11 0.20 -0.02 -0.10 -0.01 0.05 0.04 -0.00 0.06 0.06 0.01 0.06 0.02 -0.02 0.03 0.03 -0.02 0.03 0.02 -0.05 -0.02 -0.00 0.04 0.01 -0.21 -0.00 -0.01 0.00 -0.02 0.03 -0.02 -0.10 0.18 -0.15 0.03 -0.14 -0.11 -0.01 0.08 0.16 -0.19 -0.03 -0.04 -0.33 -0.14 0.10 -0.12 0.02 -0.10 -0.29 0.13 -0.11 -0.08 -0.05 -0.04 -0.07 -0.03 -0.08 -0.10 -0.13 0.01 -0.06 -0.08 -0.11 0.03 -0.07 -0.01 -0.01 0.04 0.01 -0.00 0.02 0.00 -0.03 0.09 0.01 -0.02 0.06 0.01 0.05 -0.08 -0.02 0.04 -0.06 -0.01 -0.01 0.01 -0.01 0.01 0.01 -0.01 -0.02 -0.02 -0.03 -0.04 -0.01 -0.02 -0.01 -0.01 -0.03 -0.04 -0.00 0.01 -0.07 -0.02 -0.02 -0.00 -0.00 -0.01 -0.00 -0.02 -0.05 -0.02 0.00 0.02 -0.05 -0.00 0.03 0.02 0.03 0.00 0.03 0.04 0.03 0.02 0.05 -0.01 -0.02 0.08 0.03 -0.03 0.12 0.03 0.02 0.01 -0.01 -0.01 0.01 0.04 -0.01 0.01 -0.00 -0.02 0.06 0.01 -0.20 0.44 -0.31 0.06 -0.43 -0.16 0.08 0.19 0.51 0.02 0.02 0.01 -0.02 -0.01 0.05 0.08 0.07 -0.06 -0.02 0.08 0.05 0.04 -0.02 0.02 0.07 -0.09 0.05 -0.00 0.01 -0.04 0.06 0.04 0.10 -0.04 0.10 0.05 0.02 0.06 0.02 0.08 -0.12 -0.02 0.04 0.06 0.01 0.14 -0.26 -0.07 0.02 -0.04 0.01 -0.07 0.20 0.07 0.00 0.01 0.02 0.07 -0.05 0.02 -0.02 -0.04 -0.06 -0.05 -0.03 -0.04 0.01 -0.03 -0.06 -0.04 -0.01 0.02 -0.09 -0.04 -0.04 0.03 0.01 -0.03 0.04 -0.04 -0.09 0.01 0.01 0.02 -0.06 -0.01 0.05 -0.01 0.02 0.03 -0.01 0.06 0.05 0.00 0.03 0.01 -0.00 -0.02 0.00 0.01 -0.07 -0.02 0.06 0.03 -0.04 0.02 0.02 0.06 -0.02 0.04 0.02 -0.01 -0.02 -0.02 -0.06 -0.06 -0.01 0.00 -0.02 -0.04 0.01 -0.03 -0.05 -0.02 0.02 0.02 -0.06 -0.00 0.07 0.00 0.06 -0.03 -0.05 0.07 0.02 0.10 -0.12 -0.02 0.36 -0.45 -0.12 -0.29 -0.32 -0.07 0.34 0.11 0.04 0.01 -0.05 -0.01 -0.04 0.06 0.01 -0.02 0.02 0.01 -0.08 0.14 0.02 -0.04 0.06 0.02 0.04 -0.10 -0.02 0.00 -0.04 -0.00 -0.01 0.07 -0.03 -0.01 0.09 -0.02 -0.01 -0.02 -0.02 -0.02 -0.02 -0.00 0.01 -0.02 -0.01 -0.02 -0.01 0.01 -0.04 -0.03 -0.00 0.01 -0.00 -0.01 0.02 -0.03 -0.02 -0.00 0.01 -0.01 -0.03 -0.00 0.02 0.02 0.08 0.01 0.01 -0.05 -0.06 -0.08 0.21 0.10 -0.03 0.16 0.05 -0.08 0.34 0.11 0.03 0.01 -0.01 -0.01 0.04 -0.01 0.02 -0.10 -0.05 0.01 -0.01 0.01 0.27 -0.26 0.26 -0.07 0.43 0.18 -0.16 -0.10 -0.35 -0.01 0.00 0.00 -0.06 -0.04 0.06 0.05 0.05 -0.06 -0.06 0.08 0.02 0.04 -0.02 0.04 0.07 -0.12 0.08 -0.01 -0.00 -0.01 0.08 0.06 0.11 -0.09 -0.01 -0.05 -0.09 -0.04 -0.05 -0.08 -0.05 -0.04 -0.08 -0.06 -0.06 -0.07 -0.07 -0.03 -0.08 -0.01 -0.04 -0.09 -0.02 -0.03 -0.06 0.01 -0.07 -0.05 0.01 -0.07 0.00 0.05 0.01 0.05 0.02 0.01 0.02 0.03 0.04 0.06 -0.02 -0.00 0.09 0.04 0.01 -0.00 0.01 -0.01 0.01 0.03 0.06 0.03 0.00 -0.04 0.08 -0.04 0.01 -0.04 0.01 0.02 -0.05 0.08 0.03 -0.01 -0.06 -0.00 0.01 -0.05 -0.02 0.05 -0.17 -0.05 -0.04 0.01 -0.02 0.01 -0.00 -0.07 0.00 0.02 0.01 0.01 -0.01 0.01 -0.00 -0.01 0.01 0.01 -0.04 0.01 0.04 -0.01 0.02 0.13 0.06 0.01 0.24 0.14 -0.09 0.21 0.11 -0.05 0.17 0.02 0.22 0.13 -0.00 0.19 0.10 -0.22 0.43 0.17 0.06 0.16 0.35 0.18 0.22 0.00 -0.02 -0.01 -0.01 0.00 -0.01 -0.02 0.02 -0.00 -0.02 0.02 -0.00 -0.03 0.05 0.00 0.00 -0.02 -0.01 0.01 -0.03 -0.01 -0.00 -0.01 0.01 0.01 -0.04 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.22 0.05 0.09 0.29 0.17 0.30 0.38 0.08 -0.12 0.01 -0.05 0.03 -0.02 -0.16 -0.14 -0.00 -0.00 0.01 -0.00 -0.01 0.02 -0.04 -0.02 0.10 -0.15 0.03 -0.17 -0.28 -0.08 -0.14 0.03 0.23 -0.29 -0.30 -0.01 -0.34 0.02 0.01 -0.00 0.02 0.01 -0.01 0.03 0.02 -0.02 0.02 0.01 0.02 0.00 0.00 0.01 -0.02 0.01 0.03 0.03 0.03 0.01 -0.01 -0.01 0.01 0.02 -0.01 0.01 0.01 0.03 0.01 -0.00 0.05 0.01 -0.01 0.07 0.02 -0.03 0.10 0.02 0.04 -0.05 0.00 0.05 -0.06 -0.00 -0.05 0.20 -0.03 -0.00 0.21 -0.02 -0.03 -0.02 -0.08 -0.00 -0.10 0.02 0.04 -0.05 -0.03 -0.01 -0.01 -0.00 -0.01 -0.17 0.10 0.07 -0.04 0.03 0.07 -0.08 -0.05 0.02 0.05 -0.05 -0.05 0.01 0.03 -0.13 0.11 0.11 -0.17 0.39 0.19 -0.09 0.09 0.07 0.02 -0.13 -0.04 0.15 -0.55 -0.18 0.12 -0.07 0.09 0.00 0.13 -0.09 -0.00 0.06 0.01 0.02 -0.02 0.01 -0.01 -0.09 0.04 0.00 -0.02 0.02 0.10 -0.04 -0.05 -0.02 -0.02 -0.00 -0.07 -0.06 0.04 -0.01 -0.01 -0.02 -0.05 0.02 -0.03 -0.01 0.01 -0.01 -0.05 0.09 -0.02 0.05 0.05 -0.01 -0.09 -0.05 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.02 -0.01 -0.01 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.03 -0.01 0.02 -0.02 -0.00 0.00 0.02 0.00 0.06 -0.10 0.15 -0.06 0.14 -0.15 -0.05 0.12 -0.15 0.14 -0.26 0.36 0.04 -0.12 0.15 -0.14 0.28 -0.33 -0.01 -0.01 0.00 -0.10 0.25 -0.34 0.01 -0.02 -0.02 0.02 -0.07 -0.03 0.01 -0.03 -0.02 -0.01 0.02 0.01 -0.02 0.09 0.04 0.10 -0.27 0.34 -0.00 -0.03 0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 0.01 0.01 -0.01 0.01 0.01 0.00 0.01 -0.00 0.02 0.02 -0.01 0.01 0.04 -0.05 0.02 -0.01 -0.02 0.00 0.06 0.02 0.03 -0.07 -0.04 0.09 0.06 0.04 -0.04 -0.07 0.01 -0.13 0.19 0.14 -0.09 -0.11 0.05 -0.24 -0.10 -0.06 -0.06 0.04 -0.02 0.08 -0.06 0.00 0.19 -0.05 0.04 0.19 -0.00 -0.10 0.11 0.01 -0.02 -0.05 0.03 0.03 -0.03 0.01 0.02 -0.08 0.02 0.06 -0.13 0.04 0.06 -0.04 0.04 0.07 -0.15 0.11 -0.05 0.05 -0.05 0.11 -0.14 -0.02 0.02 0.02 -0.04 0.16 0.06 -0.05 0.12 0.03 -0.01 0.03 -0.00 0.01 -0.02 -0.02 -0.01 0.10 -0.12 0.14 -0.11 0.13 -0.01 0.01 -0.02 0.01 -0.00 0.01 0.03 -0.03 0.03 -0.02 0.00 0.04 0.03 -0.01 -0.01 0.11 0.05 0.00 0.23 0.14 -0.11 0.24 0.13 -0.09 0.15 0.02 0.27 -0.10 -0.04 -0.03 -0.06 0.09 -0.19 -0.15 -0.08 -0.03 -0.24 -0.15 -0.03 0.04 0.05 -0.08 -0.09 -0.05 0.02 0.03 0.00 0.10 -0.20 -0.11 0.06 0.06 -0.01 0.23 0.10 0.04 0.00 -0.04 -0.02 -0.09 -0.02 0.03 0.04 -0.25 -0.01 0.00 0.05 -0.15 0.18 -0.01 -0.01 -0.02 -0.00 0.01 -0.04 -0.03 0.06 -0.09 -0.06 0.12 -0.18 -0.01 0.06 -0.08 -0.04 0.12 -0.21 0.06 -0.09 0.12 -0.11 0.21 -0.25 -0.03 0.03 0.03 -0.05 0.13 0.06 -0.04 0.07 0.04 0.00 -0.01 -0.01 0.04 -0.14 -0.06 -0.06 0.18 -0.24 0.10 -0.16 0.22 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.02 0.01 -0.01 -0.01 0.01 0.02 -0.01 -0.01 -0.04 -0.01 -0.04 -0.13 -0.08 0.04 -0.12 -0.06 0.01 -0.08 0.02 -0.22 0.05 0.02 0.02 -0.01 -0.05 0.17 0.14 0.07 0.02 0.15 0.09 0.01 0.00 -0.02 0.01 0.01 0.03 -0.00 0.00 -0.01 -0.02 0.01 0.04 -0.00 0.00 -0.03 -0.06 -0.02 -0.01 0.02 0.01 0.00 0.00 -0.01 0.07 -0.06 -0.11 0.38 -0.00 0.01 -0.02 0.02 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.02 0.03 -0.03 -0.00 0.01 -0.01 -0.01 0.02 -0.03 0.00 -0.01 0.02 -0.02 0.04 -0.05 -0.02 0.03 -0.10 -0.22 -0.16 -0.57 -0.28 -0.14 0.27 0.16 -0.01 -0.05 0.07 0.13 -0.10 -0.01 0.04 -0.05 0.00 -0.01 0.01 0.01 -0.05 0.16 -0.07 -0.01 0.00 -0.23 0.02 -0.07 0.12 0.02 -0.15 -0.21 -0.01 -0.02 -0.00 -0.01 0.03 0.01 -0.00 0.02 0.02 -0.00 0.03 -0.01 -0.00 0.07 0.00 0.00 -0.01 0.01 0.01 -0.03 0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.08 0.00 -0.05 0.01 0.02 0.02 0.02 -0.00 0.04 -0.12 -0.04 0.06 0.00 -0.00 -0.06 -0.04 -0.05 0.11 0.08 0.02 -0.12 -0.22 -0.07 0.02 -0.33 -0.09 -0.00 -0.17 0.03 0.03 -0.03 -0.07 -0.06 0.02 0.10 0.05 0.01 -0.10 -0.05 0.13 -0.03 -0.04 0.05 0.06 0.06 0.13 0.03 -0.00 0.16 0.01 -0.08 -0.08 -0.07 0.07 0.01 -0.02 -0.02 0.05 -0.01 0.05 0.12 -0.14 -0.11 -0.02 0.02 0.02 -0.03 0.09 0.05 -0.07 -0.03 0.10 0.16 0.02 -0.08 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.02 0.01 0.00 -0.00 0.02 0.01 -0.01 0.00 -0.00 -0.03 -0.06 0.22 -0.03 -0.06 0.22 -0.03 -0.05 0.21 -0.04 -0.05 0.22 0.16 0.12 -0.18 0.14 0.10 -0.14 0.17 0.14 -0.19 0.15 0.13 -0.16 0.01 0.06 -0.00 0.02 -0.14 0.00 -0.05 0.13 0.07 0.08 -0.31 -0.02 -0.09 0.26 0.20 0.11 -0.06 -0.06 -0.05 0.05 0.02 -0.03 -0.08 0.17 0.05 -0.43 0.10 -0.09 0.04 -0.02 -0.03 -0.02 -0.04 0.01 0.06 -0.00 -0.00 -0.07 0.00 0.04 -0.07 0.03 0.04 0.00 0.04 0.08 -0.02 0.03 0.06 0.03 -0.07 -0.01 -0.13 0.14 -0.01 0.02 -0.03 -0.17 0.17 -0.23 -0.20 0.07 0.19 0.08 0.05 -0.04 0.04 0.05 -0.12 0.02 -0.11 0.15 0.06 0.04 -0.05 -0.01 -0.02 0.04 -0.03 -0.01 0.01 -0.10 -0.01 -0.02 0.03 0.01 -0.04 -0.08 -0.01 -0.01 0.02 0.02 -0.12 -0.03 0.00 -0.03 -0.01 0.04 -0.15 0.00 0.04 -0.18 -0.02 -0.01 0.04 -0.02 -0.05 0.07 -0.03 -0.05 0.07 0.04 0.01 0.00 -0.01 -0.04 -0.00 0.12 -0.18 -0.05 -0.10 0.19 -0.00 0.27 -0.47 -0.11 -0.21 0.38 -0.06 0.00 -0.16 0.02 -0.06 0.17 0.02 0.02 0.05 -0.13 -0.01 0.23 -0.09 0.07 -0.03 0.02 0.02 0.02 0.04 -0.00 -0.04 0.00 0.00 0.05 0.00 -0.04 0.05 -0.02 -0.03 -0.01 -0.04 -0.06 0.02 -0.02 -0.05 -0.03 0.05 0.01 0.09 -0.12 0.01 -0.00 0.02 0.08 -0.10 0.09 0.08 -0.02 -0.08 -0.04 -0.03 0.02 -0.03 -0.00 0.07 -0.01 0.08 -0.12 -0.05 -0.02 0.04 0.01 0.00 -0.02 0.01 0.01 -0.00 0.04 0.01 0.00 -0.01 -0.01 0.02 0.04 0.01 0.01 -0.01 -0.04 0.11 -0.02 -0.03 0.15 0.04 0.03 0.02 -0.03 -0.01 0.19 0.02 0.05 -0.04 0.08 -0.01 -0.08 -0.05 -0.07 0.02 0.11 0.06 -0.12 0.01 -0.00 0.00 -0.02 -0.01 0.00 -0.01 0.00 0.01 -0.03 -0.04 0.01 -0.00 -0.00 0.04 0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.04 -0.02 0.12 0.06 -0.05 -0.11 -0.08 0.17 -0.18 -0.21 -0.26 -0.16 -0.05 0.27 0.18 0.05 0.03 -0.26 -0.18 -0.17 0.19 0.22 -0.13 -0.23 -0.13 0.04 0.12 0.06 0.15 0.23 0.19 -0.00 -0.00 -0.01 0.02 -0.11 -0.03 0.04 -0.07 -0.04 -0.01 -0.02 0.00 -0.02 0.07 0.06 -0.02 0.23 0.25 -0.04 -0.22 -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 -0.02 -0.01 -0.00 -0.01 -0.00 0.00 -0.02 -0.00 0.01 -0.03 0.01 0.00 -0.00 0.01 -0.02 0.02 0.01 0.01 -0.01 0.04 0.02 -0.00 0.09 -0.10 -0.00 0.00 -0.01 0.02 0.01 0.01 0.02 0.07 -0.13 -0.01 0.07 -0.08 0.06 0.02 0.05 -0.02 -0.04 0.05 0.04 -0.04 0.06 -0.01 -0.22 0.66 0.09 -0.08 0.01 0.02 -0.04 -0.04 -0.03 0.01 0.05 0.03 -0.04 -0.06 -0.03 0.04 -0.02 -0.01 0.02 0.03 0.02 0.07 0.00 0.03 0.07 0.00 -0.04 -0.08 -0.05 0.05 0.02 -0.01 -0.01 0.16 -0.35 0.05 0.17 -0.11 -0.16 -0.05 -0.09 0.02 -0.09 0.19 0.20 -0.04 -0.03 0.06 0.08 0.01 0.00 0.01 0.00 -0.00 0.02 0.01 -0.00 0.05 0.03 -0.01 0.01 -0.01 0.00 0.04 0.02 0.02 0.01 0.03 -0.09 -0.00 0.00 -0.10 0.00 -0.00 -0.04 0.00 0.04 -0.12 -0.04 -0.02 0.05 -0.01 -0.05 0.03 -0.07 -0.06 0.06 -0.00 -0.01 0.02 -0.11 0.26 0.05 0.03 -0.01 0.01 0.03 0.01 0.00 -0.10 0.34 0.06 -0.14 0.35 0.06 0.07 -0.08 -0.02 0.04 -0.07 0.01 -0.01 -0.03 -0.07 -0.15 0.33 -0.02 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.02 -0.00 -0.00 -0.01 0.03 0.02 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.01 0.01 -0.01 0.00 -0.02 0.02 -0.03 -0.02 -0.03 -0.06 0.08 -0.14 0.06 0.24 -0.50 -0.26 -0.02 0.02 0.04 0.03 -0.12 0.01 -0.03 0.02 -0.03 0.01 -0.00 -0.00 0.01 -0.02 0.01 0.01 -0.00 -0.00 0.01 0.00 -0.00 0.02 0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.04 -0.04 -0.01 0.06 0.00 0.05 -0.10 -0.02 0.05 -0.05 -0.04 -0.04 0.05 -0.04 -0.03 0.03 -0.03 -0.00 0.02 -0.07 -0.04 0.07 0.04 -0.09 -0.03 0.03 0.04 0.01 0.03 0.03 -0.00 0.18 -0.18 -0.05 0.14 -0.20 -0.05 0.00 0.05 0.01 -0.01 0.03 0.04 -0.03 -0.03 -0.09 -0.05 -0.08 -0.10 -0.02 0.00 0.00 0.00 -0.02 0.00 -0.00 0.00 0.03 -0.00 -0.00 -0.02 0.02 -0.00 -0.01 -0.01 0.03 0.01 0.01 0.00 0.00 0.02 -0.01 0.01 -0.03 0.04 -0.04 -0.05 -0.03 -0.05 -0.08 0.36 0.10 0.12 -0.40 -0.15 -0.00 0.17 0.05 0.17 -0.52 -0.30 -0.05 0.05 -0.03 0.02 -0.02 -0.01 0.01 -0.05 0.02 -0.00 -0.01 -0.00 -0.01 -0.02 0.00 0.02 0.05 -0.01 -0.05 -0.02 -0.03 0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.01 -0.02 0.03 0.01 -0.01 -0.04 -0.04 -0.02 0.04 -0.01 -0.01 -0.01 -0.08 -0.06 0.05 -0.05 -0.05 0.03 0.03 -0.08 -0.03 0.07 -0.08 -0.02 0.06 -0.07 -0.02 -0.23 0.60 0.09 -0.25 0.59 0.08 -0.01 0.06 0.02 -0.03 0.05 0.03 -0.01 0.00 -0.06 0.02 -0.20 -0.10 -0.02 0.00 0.00 -0.00 -0.03 0.00 -0.00 0.01 0.03 -0.01 -0.01 -0.01 -0.00 0.01 -0.04 -0.01 0.03 0.02 0.00 0.03 -0.02 0.03 -0.01 0.00 -0.06 0.05 -0.06 0.00 0.01 0.02 -0.02 0.05 -0.01 -0.06 0.11 0.07 0.01 0.00 -0.01 0.00 0.00 -0.02 -0.06 0.06 -0.04 0.01 0.02 -0.05 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.02 -0.02 0.04 0.01 -0.02 -0.02 -0.02 -0.01 0.02 -0.00 -0.02 -0.00 -0.06 -0.05 0.04 -0.01 -0.01 0.00 0.03 -0.05 0.01 -0.03 -0.07 0.01 -0.04 -0.07 0.01 -0.21 0.17 0.07 -0.16 0.20 0.09 -0.04 0.01 -0.01 -0.01 0.03 -0.03 0.03 0.01 0.13 -0.04 0.43 0.21 0.03 -0.01 -0.00 0.00 0.05 -0.01 0.01 -0.02 -0.05 0.00 0.04 0.00 0.04 -0.11 0.18 0.01 -0.03 -0.05 0.04 -0.14 0.14 -0.05 0.02 -0.01 0.13 -0.17 0.22 -0.02 -0.03 -0.03 -0.02 0.11 0.05 0.07 -0.18 -0.10 -0.01 0.07 0.03 0.07 -0.25 -0.11 0.16 -0.19 0.19 0.04 -0.16 0.25 0.01 -0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.02 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.02 0.01 0.01 -0.05 0.02 0.00 -0.01 0.00 -0.00 0.02 0.06 0.05 -0.07 0.05 0.01 -0.02 0.07 0.04 -0.05 0.10 0.08 -0.07 -0.01 0.02 -0.00 0.01 0.02 -0.00 0.01 0.02 -0.00 0.04 -0.03 -0.02 0.04 -0.04 -0.02 0.01 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.04 0.08 -0.16 -0.06 -0.03 0.05 -0.06 0.01 -0.05 0.04 0.02 -0.03 0.08 -0.04 0.07 -0.11 0.13 -0.31 0.37 -0.04 0.10 -0.09 0.13 -0.26 0.36 0.04 -0.04 0.04 0.02 -0.10 0.12 0.00 0.01 0.01 -0.01 -0.03 -0.03 -0.04 0.08 0.04 0.01 -0.02 -0.01 -0.02 0.10 0.04 0.01 -0.07 0.12 0.18 -0.36 0.45 -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 0.01 -0.00 -0.00 0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.02 -0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.03 -0.02 0.02 0.01 0.02 -0.05 0.02 0.03 -0.11 0.10 0.06 -0.06 0.07 0.04 -0.13 0.10 0.04 -0.12 0.05 0.01 0.04 -0.04 -0.01 -0.02 -0.03 -0.01 -0.03 -0.32 -0.05 -0.07 0.05 -0.09 0.12 -0.02 0.06 -0.07 -0.02 0.05 -0.08 0.02 -0.00 0.02 0.00 -0.01 0.02 0.01 -0.02 0.01 0.01 -0.03 0.02 -0.04 0.07 -0.09 0.16 -0.28 0.36 0.01 0.00 0.02 -0.00 -0.01 -0.01 -0.04 0.09 0.06 0.00 -0.02 -0.00 -0.01 0.01 0.01 0.15 -0.29 0.37 0.08 -0.21 0.26 -0.00 0.01 -0.01 -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 -0.02 0.12 -0.03 -0.05 0.14 -0.04 -0.04 0.13 -0.02 -0.01 0.04 -0.08 -0.06 0.08 -0.10 -0.07 0.10 -0.07 -0.06 0.08 -0.06 -0.05 0.07 -0.07 -0.03 -0.00 0.08 0.00 0.21 -0.07 -0.05 0.10 0.11 0.00 0.21 -0.07 -0.06 0.09 -0.05 -0.02 -0.03 0.09 0.03 0.09 -0.13 -0.02 -0.19 -0.31 -0.28 -0.27 0.04 -0.08 0.09 0.01 0.06 -0.01 -0.01 0.01 -0.05 0.04 0.03 0.02 -0.00 0.07 -0.02 0.00 -0.02 -0.02 -0.02 0.02 -0.04 -0.05 0.04 -0.05 0.17 -0.16 0.18 0.00 0.01 0.02 -0.02 0.08 0.02 -0.03 0.05 0.05 0.01 -0.02 -0.01 -0.04 0.15 0.06 0.11 -0.18 0.20 0.05 -0.20 0.21 -0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.02 0.04 -0.16 0.04 0.06 -0.18 0.04 0.05 -0.17 0.03 0.03 -0.11 0.06 0.04 -0.03 0.12 0.12 -0.19 -0.06 -0.02 -0.04 -0.08 -0.05 -0.01 -0.00 0.04 0.03 -0.02 -0.01 0.02 -0.07 -0.03 -0.01 0.01 -0.03 0.01 -0.07 -0.04 -0.02 -0.03 -0.03 -0.01 0.01 -0.01 0.00 0.20 0.01 -0.09 0.39 0.15 -0.04 0.03 -0.06 0.07 -0.05 -0.04 -0.04 -0.03 0.08 0.04 -0.08 -0.09 -0.03 -0.05 0.02 -0.11 -0.05 0.09 0.09 -0.00 0.08 0.02 0.06 0.02 -0.06 -0.14 -0.11 0.14 0.05 -0.01 0.04 0.02 -0.26 -0.15 -0.17 0.19 0.25 -0.02 0.04 0.03 0.10 -0.44 -0.21 -0.14 -0.08 0.23 0.11 -0.11 0.10 -0.02 0.02 -0.04 -0.01 -0.00 -0.00 0.02 -0.01 0.01 -0.06 -0.04 0.03 0.04 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.02 -0.02 0.02 0.02 -0.04 -0.01 -0.01 0.06 0.03 0.02 -0.03 0.03 0.03 -0.03 0.04 0.03 -0.03 0.02 0.02 -0.02 0.00 0.00 -0.00 -0.05 0.11 0.02 0.05 -0.11 -0.02 0.28 -0.61 -0.11 -0.30 0.63 0.10 -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 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 -0.00 -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 -0.01 0.00 -0.01 0.02 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.01 0.01 -0.01 -0.02 -0.00 0.02 0.03 0.00 0.02 -0.02 -0.01 -0.01 -0.03 -0.01 -0.01 -0.02 0.00 -0.01 -0.03 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.08 0.07 -0.01 0.35 -0.24 -0.04 0.03 -0.04 0.04 -0.02 -0.01 -0.03 -0.01 0.02 0.02 -0.04 -0.03 -0.02 -0.00 -0.01 -0.02 -0.01 0.02 0.04 -0.04 0.10 -0.09 0.01 0.02 -0.03 -0.04 -0.10 0.12 -0.09 0.02 -0.06 -0.03 0.37 0.25 0.21 -0.23 -0.37 0.01 -0.03 -0.04 -0.10 0.43 0.22 -0.05 0.00 0.04 0.05 -0.06 0.09 0.02 -0.03 0.06 0.02 0.00 0.00 -0.03 0.01 -0.02 0.11 0.07 -0.06 -0.05 -0.00 -0.02 -0.01 -0.01 0.01 0.01 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.02 0.04 0.01 0.01 -0.01 0.01 0.01 -0.00 0.02 0.02 -0.02 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 0.01 0.01 0.03 -0.02 0.00 -0.00 0.01 -0.00 0.02 -0.05 0.06 -0.02 0.03 -0.05 0.02 -0.04 0.05 -0.13 0.31 -0.38 -0.02 0.05 -0.06 0.11 -0.25 0.34 -0.00 0.01 -0.00 -0.13 0.29 -0.36 -0.01 0.00 -0.01 -0.00 0.05 0.04 0.03 -0.04 -0.04 0.00 -0.00 -0.00 -0.02 0.06 0.02 0.15 -0.31 0.40 0.01 -0.02 0.04 0.00 -0.00 0.01 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 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.03 0.01 -0.01 0.01 0.00 0.00 0.01 0.01 0.01 0.00 -0.00 0.01 0.02 0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.04 -0.11 -0.05 -0.14 0.44 0.04 0.00 0.00 -0.02 -0.01 0.01 -0.00 -0.01 0.02 0.00 -0.00 -0.01 -0.00 -0.02 -0.05 0.06 -0.01 0.02 0.02 0.02 -0.03 0.07 0.02 -0.02 0.00 -0.01 0.01 -0.03 -0.01 -0.07 -0.03 -0.09 0.55 0.19 -0.16 0.58 -0.03 -0.01 -0.00 -0.01 -0.05 0.11 0.03 -0.06 0.02 0.00 -0.02 0.03 -0.10 0.01 -0.01 0.04 0.02 0.00 0.00 -0.02 -0.01 -0.01 0.07 0.04 -0.03 -0.00 0.00 -0.02 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.01 0.01 0.01 0.01 0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.04 0.03 0.01 0.02 -0.25 -0.03 -0.01 0.00 0.00 0.01 -0.01 0.01 0.00 -0.01 0.00 0.01 0.01 0.00 -0.03 0.04 -0.05 0.01 -0.01 -0.01 -0.02 0.04 -0.06 -0.01 0.01 -0.01 0.02 0.00 0.00 -0.03 0.03 -0.11 0.16 -0.45 -0.04 -0.03 0.53 -0.27 -0.14 0.00 -0.02 -0.04 -0.35 -0.16 0.02 -0.01 -0.01 0.02 -0.05 0.07 0.02 -0.04 0.14 0.13 0.03 -0.01 0.03 0.03 -0.05 0.28 0.07 -0.14 0.03 0.02 -0.05 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 -0.01 0.01 0.01 0.01 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.02 0.03 0.01 0.00 -0.03 -0.01 -0.01 0.03 0.01 0.03 0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.02 -0.04 0.02 0.06 0.15 0.06 -0.03 0.04 -0.05 0.03 -0.06 0.08 0.03 -0.06 0.07 0.00 0.02 -0.01 -0.13 0.32 -0.39 0.01 -0.01 0.00 -0.13 0.30 -0.42 -0.03 0.06 -0.07 0.04 -0.04 0.05 0.01 -0.02 0.01 -0.02 0.10 0.01 -0.03 0.03 0.05 0.01 0.00 0.00 -0.00 0.02 0.00 -0.01 0.04 -0.06 0.15 -0.35 0.45 -0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 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 -0.01 -0.00 0.00 -0.02 -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 0.00 0.01 -0.03 -0.01 -0.01 0.05 0.02 -0.00 -0.03 -0.01 -0.03 0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 0.01 -0.07 -0.02 -0.01 0.00 0.01 -0.00 0.03 -0.07 0.06 -0.02 0.07 -0.07 -0.03 0.06 -0.07 -0.11 0.28 -0.38 0.02 -0.05 0.06 0.14 -0.28 0.41 -0.01 -0.00 0.02 0.12 -0.30 0.39 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.11 0.25 -0.33 -0.03 0.04 -0.03 -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 -0.01 0.02 -0.02 -0.01 0.02 -0.00 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 -0.01 0.00 -0.00 0.01 -0.02 -0.01 -0.00 0.03 0.01 -0.00 -0.02 -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.01 -0.15 -0.06 -0.01 0.03 0.02 -0.02 -0.08 0.26 0.25 -0.23 -0.27 -0.15 -0.06 -0.08 -0.05 0.04 0.38 0.19 -0.00 0.06 0.08 -0.13 -0.39 -0.13 0.30 0.01 -0.11 0.04 -0.13 -0.08 0.00 0.00 -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 0.09 0.21 -0.06 0.33 -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 0.01 -0.01 -0.01 0.02 -0.01 -0.01 0.02 0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.10 -0.06 0.09 -0.04 -0.00 -0.09 0.18 0.08 0.04 -0.35 -0.16 0.01 0.23 0.08 0.25 -0.03 -0.02 0.04 -0.01 -0.01 0.01 -0.06 -0.00 -0.04 0.52 0.08 0.05 -0.01 -0.04 0.04 -0.00 0.02 0.03 -0.01 0.01 -0.02 0.01 0.05 -0.03 -0.04 0.10 -0.06 -0.00 0.00 -0.02 0.02 -0.05 0.05 0.03 -0.03 0.02 0.13 -0.16 0.21 0.01 0.00 0.00 -0.00 -0.02 -0.03 -0.01 -0.03 0.04 -0.01 0.00 -0.00 -0.02 -0.00 -0.02 0.02 -0.10 0.09 -0.06 0.12 -0.23 -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 0.00 -0.01 -0.03 -0.00 -0.07 0.10 0.12 -0.17 0.13 0.07 -0.16 0.00 -0.02 0.13 0.03 0.02 -0.01 0.07 0.07 -0.12 -0.05 -0.01 -0.03 -0.05 -0.04 -0.02 0.03 0.01 -0.02 0.01 0.00 0.02 -0.04 -0.02 -0.01 0.09 0.04 -0.00 -0.06 -0.02 -0.06 0.01 0.01 -0.01 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.11 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.02 0.03 0.01 -0.04 0.04 -0.03 0.04 -0.06 -0.05 0.15 -0.18 -0.03 0.06 -0.07 -0.09 0.20 -0.29 0.03 -0.05 0.07 0.11 -0.28 0.34 -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 0.15 -0.30 0.40 -0.13 0.31 -0.38 0.00 0.00 0.00 -0.00 -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 -0.03 -0.03 0.05 -0.04 -0.02 0.04 -0.00 0.01 -0.04 -0.01 -0.01 0.00 -0.02 -0.02 0.04 0.02 0.01 0.01 0.02 0.01 0.00 -0.02 -0.01 -0.03 0.10 0.03 0.11 0.03 0.01 0.01 -0.02 -0.04 0.16 -0.04 0.04 -0.40 -0.01 -0.01 0.01 -0.02 0.01 -0.08 -0.03 -0.00 0.01 0.42 0.07 0.07 -0.03 -0.02 0.02 -0.03 0.01 0.01 -0.02 0.01 0.00 0.03 0.06 0.03 -0.13 -0.03 0.02 0.00 -0.05 -0.04 -0.07 0.02 0.07 0.05 -0.01 -0.02 -0.02 0.09 0.10 -0.03 -0.01 -0.02 0.06 -0.10 0.09 0.02 0.18 -0.14 0.04 0.01 0.01 0.14 -0.07 0.13 -0.11 -0.10 -0.04 0.05 -0.02 -0.05 0.05 0.01 -0.02 -0.08 -0.02 0.03 -0.08 -0.02 0.02 -0.04 -0.01 0.00 -0.08 -0.02 0.02 -0.00 0.00 -0.02 0.01 0.01 -0.03 0.01 0.01 -0.02 -0.00 0.00 -0.02 -0.08 -0.04 -0.03 -0.22 -0.23 0.35 0.21 0.06 0.05 0.19 0.17 -0.02 0.02 0.01 0.01 -0.07 -0.02 -0.07 -0.06 -0.03 -0.02 0.14 0.09 -0.15 -0.01 -0.05 0.29 0.03 0.02 -0.01 0.01 -0.01 0.05 0.01 -0.00 -0.02 -0.02 -0.01 -0.03 -0.04 -0.00 0.01 -0.05 -0.01 0.01 -0.04 0.02 0.03 0.06 0.12 0.07 -0.30 -0.10 0.00 -0.00 -0.12 -0.09 -0.21 0.11 0.15 0.12 -0.00 -0.05 -0.15 0.24 0.26 -0.02 -0.00 -0.01 0.05 -0.06 0.07 0.02 0.09 -0.09 0.02 0.01 0.00 0.09 -0.04 0.08 -0.31 -0.26 -0.09 0.14 -0.01 -0.06 0.03 0.01 -0.01 -0.04 -0.01 0.02 -0.05 -0.01 0.01 -0.02 -0.01 -0.00 -0.05 -0.01 0.01 0.02 0.01 0.03 -0.06 -0.07 0.10 -0.08 -0.04 0.08 0.00 0.02 -0.11 0.05 0.03 0.02 0.15 0.15 -0.23 -0.13 -0.04 -0.03 -0.12 -0.11 0.02 -0.01 -0.00 -0.02 0.03 0.01 0.04 -0.01 -0.00 -0.00 0.05 0.01 0.04 -0.04 -0.00 -0.15 0.01 0.01 0.00 -0.01 0.00 -0.02 0.00 -0.01 -0.00 0.19 0.10 0.04 -0.02 -0.01 0.01 -0.02 0.00 0.00 -0.02 0.01 0.01 0.03 0.05 0.04 -0.10 -0.05 0.03 -0.00 -0.05 -0.04 -0.09 0.05 0.07 0.05 -0.00 -0.02 -0.07 0.12 0.11 0.07 0.00 0.05 -0.15 0.27 -0.20 -0.06 -0.40 0.33 -0.08 -0.03 -0.02 -0.32 0.18 -0.29 -0.14 -0.12 -0.04 0.06 -0.01 -0.03 -0.11 -0.03 0.04 0.16 0.05 -0.07 0.19 0.03 -0.04 0.07 0.02 0.01 0.17 0.05 -0.02 0.01 0.00 0.01 -0.03 -0.03 0.04 -0.04 -0.01 0.02 -0.00 0.02 -0.08 -0.02 -0.01 -0.01 -0.07 -0.08 0.12 0.07 0.03 0.01 0.06 0.06 -0.01 -0.05 -0.02 0.01 -0.00 0.00 -0.02 -0.06 -0.03 -0.02 0.26 0.14 -0.12 -0.04 -0.03 0.11 0.05 0.02 0.01 -0.01 -0.01 0.01 -0.07 -0.02 -0.02 0.51 0.13 0.07 -0.04 -0.04 0.02 -0.00 0.04 0.02 0.03 0.01 -0.02 0.03 -0.01 -0.01 0.05 0.04 0.05 0.01 0.03 0.03 0.20 -0.11 -0.09 -0.05 -0.02 0.00 0.19 -0.10 -0.14 -0.00 0.00 0.00 0.01 -0.04 0.01 -0.00 0.03 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.01 0.08 0.08 0.02 -0.08 -0.13 -0.08 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 0.08 0.03 0.02 -0.17 -0.18 0.21 -0.22 -0.08 0.15 0.00 0.10 -0.44 0.01 0.01 -0.02 0.01 0.01 -0.01 0.01 0.00 -0.00 0.01 0.01 -0.02 0.01 0.00 0.01 0.03 0.02 -0.02 -0.01 -0.01 0.04 0.52 0.27 -0.19 0.09 -0.05 0.57 -0.01 0.00 -0.02 -0.02 -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 0.00 -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 0.02 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.01 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 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.05 -0.03 0.00 0.09 0.10 -0.10 0.13 0.04 -0.08 -0.01 -0.06 0.27 -0.03 -0.01 -0.05 -0.12 -0.13 0.19 0.17 0.06 0.01 0.14 0.14 -0.03 -0.03 -0.02 0.02 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.09 0.05 -0.04 0.01 -0.00 0.05 0.01 0.00 0.02 -0.01 -0.01 0.00 -0.01 -0.02 -0.03 0.15 0.05 0.00 -0.00 0.04 0.05 0.08 -0.03 -0.06 -0.10 -0.03 0.01 -0.05 -0.04 -0.01 0.44 0.09 -0.04 0.04 -0.05 -0.05 -0.36 0.10 0.20 0.01 0.06 0.04 -0.21 0.04 0.10 0.00 -0.01 -0.00 -0.02 0.03 -0.02 -0.02 0.07 0.01 -0.00 -0.00 0.01 0.00 -0.01 0.01 0.29 0.05 -0.06 0.11 0.47 0.33 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 0.03 0.01 -0.01 -0.05 -0.05 0.06 -0.07 -0.02 0.03 0.00 0.04 -0.16 0.00 0.00 -0.02 -0.01 -0.02 0.02 0.03 0.01 -0.00 0.03 0.03 -0.01 -0.06 -0.06 0.19 -0.01 0.00 -0.05 0.03 0.02 -0.03 -0.01 0.01 -0.05 0.03 0.03 -0.07 0.01 -0.01 0.07 -0.06 -0.03 0.03 0.03 0.02 -0.01 -0.54 -0.19 -0.11 0.08 0.01 -0.04 -0.01 -0.01 0.00 0.02 0.01 0.00 -0.02 -0.01 0.00 -0.16 -0.07 -0.01 -0.03 0.01 0.02 -0.02 0.04 0.04 0.01 -0.00 -0.01 -0.08 0.03 0.04 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.17 -0.04 0.02 0.01 -0.05 -0.03 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 0.08 0.05 -0.05 -0.08 -0.10 0.02 -0.13 -0.04 0.05 0.04 0.08 -0.37 -0.01 0.01 -0.11 -0.13 -0.13 0.20 0.28 0.14 -0.05 0.24 0.23 -0.08 0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 0.00 -0.01 0.01 -0.01 -0.03 0.07 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.04 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -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 0.06 -0.13 -0.02 -0.06 0.08 0.62 -0.08 0.28 -0.61 -0.17 0.28 0.10 -0.00 0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.02 0.02 0.02 0.01 -0.03 -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 -0.00 0.00 -0.00 -0.03 0.07 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 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 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.03 -0.01 0.01 -0.03 -0.01 0.01 0.00 0.06 -0.12 -0.02 -0.24 0.24 0.08 0.24 0.44 -0.46 -0.34 -0.06 0.51 -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 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.03 -0.02 -0.02 -0.14 -0.06 -0.00 -0.04 -0.01 0.01 0.13 -0.08 -0.10 0.01 0.05 0.03 0.35 -0.19 -0.27 -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 -0.48 -0.20 0.01 0.13 0.53 0.37 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -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 -0.01 0.04 0.01 0.04 -0.02 -0.01 -0.01 -0.01 -0.00 -0.02 -0.06 -0.03 0.00 -0.02 0.00 -0.05 0.01 0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.02 -0.01 -0.03 -0.04 -0.05 -0.00 0.02 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.02 0.01 0.00 0.03 0.02 0.01 0.01 -0.01 -0.01 0.04 -0.03 -0.03 -0.00 0.00 0.00 0.08 -0.02 -0.05 0.02 0.00 -0.02 -0.05 0.11 -0.09 -0.01 0.01 0.02 -0.03 -0.01 0.02 -0.01 -0.04 0.02 0.07 0.01 -0.01 -0.00 0.00 0.00 0.01 0.06 0.02 -0.00 -0.13 -0.04 0.52 0.36 -0.21 -0.07 0.28 0.11 -0.51 -0.01 0.33 -0.01 -0.00 -0.00 0.01 0.02 -0.01 0.03 0.00 -0.01 0.00 -0.01 0.05 -0.00 -0.00 -0.01 -0.01 -0.02 0.01 0.04 0.02 -0.00 0.04 0.03 -0.01 -0.12 -0.05 -0.11 0.06 0.02 0.02 0.04 0.01 0.05 0.18 0.08 -0.01 0.06 0.00 0.18 -0.03 -0.01 -0.00 -0.01 0.01 -0.05 -0.05 -0.01 0.08 0.07 0.10 0.13 0.19 0.00 -0.08 0.04 -0.00 -0.01 0.02 0.00 -0.00 -0.07 -0.03 -0.00 -0.11 -0.06 -0.02 -0.04 0.03 0.04 -0.11 0.09 0.10 0.01 -0.00 -0.01 -0.29 0.08 0.16 -0.04 0.00 0.04 0.10 -0.25 0.18 0.04 -0.01 -0.05 0.06 0.02 -0.04 0.04 0.03 -0.07 -0.26 -0.06 0.05 0.01 -0.01 -0.01 -0.05 0.03 0.01 0.04 -0.07 -0.02 0.22 0.19 -0.14 0.07 0.18 0.00 -0.36 -0.01 0.15 0.03 0.01 0.01 -0.04 -0.06 0.04 -0.08 -0.01 0.02 -0.01 0.04 -0.15 0.02 0.00 0.04 0.04 0.07 -0.07 -0.16 -0.08 0.01 -0.13 -0.12 0.03 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.02 -0.00 0.01 0.05 0.02 0.00 0.04 -0.02 -0.03 -0.03 0.02 0.02 0.50 0.21 0.00 -0.03 -0.02 -0.00 0.37 -0.21 -0.28 -0.02 -0.00 0.00 -0.34 0.19 0.27 0.01 0.00 -0.01 -0.03 0.04 -0.06 -0.00 0.02 0.00 -0.01 -0.01 0.01 -0.00 -0.02 0.03 -0.41 -0.18 0.00 -0.02 -0.02 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.07 0.01 0.01 0.00 -0.01 -0.01 0.02 0.05 -0.01 -0.02 -0.07 0.03 -0.02 -0.06 0.00 0.02 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.02 0.01 0.00 0.08 0.04 0.01 0.01 -0.01 -0.01 0.05 -0.03 -0.05 -0.00 0.00 0.00 0.05 -0.00 -0.02 -0.02 -0.02 0.06 0.08 -0.13 0.20 -0.01 -0.07 0.08 0.02 0.03 -0.05 -0.01 0.06 -0.09 0.06 0.01 -0.02 -0.00 0.01 0.01 -0.05 0.02 -0.07 0.07 -0.03 0.11 -0.38 0.09 -0.12 0.59 0.21 -0.28 -0.39 -0.09 -0.17 -0.01 -0.00 -0.00 0.02 0.02 -0.03 0.02 0.01 -0.01 -0.00 -0.01 0.03 0.00 0.01 -0.02 -0.01 -0.01 0.02 0.02 -0.00 0.00 0.02 0.03 -0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.00 0.01 0.01 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.09 0.01 0.01 0.00 -0.02 -0.02 0.03 0.08 -0.01 -0.02 -0.11 0.03 -0.04 -0.10 0.01 0.03 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.02 0.02 0.01 0.16 0.07 0.00 0.02 -0.02 -0.02 0.12 -0.07 -0.11 -0.01 0.00 0.00 0.04 0.01 -0.01 -0.11 -0.04 0.06 0.20 -0.38 0.46 0.01 0.15 -0.12 0.18 0.07 -0.06 0.07 0.14 -0.23 0.07 0.00 -0.03 -0.00 0.01 0.01 -0.11 -0.03 0.06 0.04 0.03 -0.12 0.28 -0.04 0.02 -0.33 -0.09 0.16 0.15 0.08 0.13 -0.01 -0.00 -0.00 0.03 0.03 -0.04 0.03 0.01 -0.02 -0.00 -0.00 0.04 0.01 0.01 -0.03 -0.01 -0.01 0.02 0.04 -0.00 0.01 0.03 0.04 -0.00 0.01 -0.00 0.04 0.03 0.02 -0.01 -0.04 -0.01 -0.07 -0.54 -0.29 0.19 0.08 -0.06 0.59 -0.03 0.01 -0.10 0.12 0.06 0.01 -0.03 -0.01 -0.02 0.01 0.01 -0.01 0.02 -0.01 -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 -0.03 0.02 0.03 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.01 0.02 0.03 -0.04 0.08 -0.01 0.01 0.01 0.02 0.01 -0.01 -0.01 0.03 -0.06 -0.02 -0.00 0.00 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.01 -0.01 0.02 0.01 -0.01 -0.01 -0.00 -0.01 0.02 0.00 0.06 -0.08 -0.10 0.11 -0.11 -0.05 0.11 0.01 0.01 -0.02 -0.07 -0.04 -0.00 -0.11 -0.15 0.16 0.13 -0.00 0.09 0.09 0.10 0.02 -0.13 -0.05 -0.07 0.12 0.05 0.01 0.05 0.02 0.05 0.00 -0.02 0.06 0.13 -0.01 0.42 -0.14 -0.07 0.01 -0.02 0.01 -0.11 0.25 0.07 0.04 -0.26 -0.11 -0.04 -0.12 0.07 0.08 -0.05 -0.03 -0.00 -0.01 -0.02 -0.00 0.05 0.01 -0.01 -0.01 -0.00 -0.01 -0.00 -0.04 -0.03 0.23 -0.14 -0.22 0.00 0.01 0.01 0.08 0.00 -0.02 0.02 0.02 -0.03 -0.07 0.11 -0.16 0.04 -0.05 -0.05 -0.03 -0.03 0.03 0.05 -0.06 0.17 0.21 0.05 -0.04 -0.01 -0.04 -0.03 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.03 -0.01 0.02 -0.01 0.00 0.01 0.07 0.04 -0.00 -0.11 -0.18 0.03 -0.22 -0.01 0.03 0.02 0.08 -0.30 0.01 -0.01 0.04 0.01 0.03 -0.00 -0.17 -0.06 -0.01 -0.12 -0.12 0.02 0.02 0.01 0.01 -0.02 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.02 -0.00 -0.04 0.02 0.01 0.01 0.01 0.00 0.02 -0.06 -0.03 -0.02 0.13 0.06 0.01 0.07 0.18 0.13 -0.02 -0.04 -0.02 0.01 -0.04 -0.04 0.05 -0.06 -0.06 -0.51 -0.25 -0.01 -0.08 -0.05 -0.01 0.35 -0.24 -0.29 0.01 0.03 0.02 -0.30 0.13 0.21 -0.00 -0.01 0.01 0.04 -0.03 0.08 -0.03 -0.01 0.04 0.00 0.01 -0.01 -0.05 0.04 -0.10 0.30 0.12 -0.02 0.01 0.06 0.04 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.02 0.00 0.03 -0.00 0.00 -0.00 -0.01 0.03 -0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.04 0.02 0.00 0.02 0.02 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.02 -0.04 -0.03 0.02 -0.00 0.00 -0.02 0.03 0.02 -0.02 -0.01 -0.01 0.03 -0.02 0.00 -0.00 0.03 -0.01 -0.00 0.02 0.02 0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.06 -0.02 -0.01 -0.01 -0.00 0.00 0.01 -0.01 -0.01 0.00 0.01 0.00 -0.03 0.01 0.02 0.03 0.03 -0.04 -0.11 0.11 -0.27 0.10 0.12 -0.17 0.07 -0.02 0.09 0.45 -0.22 0.70 0.02 0.01 0.00 0.00 -0.00 0.00 -0.16 -0.02 -0.02 0.10 0.02 -0.02 -0.09 0.01 -0.06 -0.01 -0.01 0.06 -0.10 0.01 -0.05 -0.01 -0.01 0.02 0.02 0.02 -0.01 0.03 0.01 -0.00 -0.00 -0.02 0.03 0.00 0.01 -0.02 -0.01 -0.00 0.01 0.03 -0.02 0.03 0.02 0.04 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 0.00 -0.04 -0.02 -0.01 -0.02 -0.07 -0.05 0.17 0.08 -0.00 -0.14 0.08 0.11 -0.07 0.03 0.05 -0.47 -0.19 0.00 0.09 0.03 -0.01 0.40 -0.22 -0.30 -0.04 -0.15 -0.11 -0.14 0.08 0.11 0.01 0.01 -0.01 0.02 0.02 0.02 -0.02 -0.05 0.03 -0.01 -0.00 -0.00 0.04 -0.02 0.08 0.20 0.08 -0.01 0.09 0.37 0.25 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 0.01 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 0.01 -0.02 0.00 0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.12 -0.08 0.14 0.18 0.07 0.11 -0.09 -0.02 -0.15 -0.21 -0.15 0.26 -0.01 -0.04 0.27 0.22 0.12 -0.08 -0.19 -0.08 -0.10 0.02 -0.00 -0.00 -0.07 -0.02 -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 -0.02 -0.01 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.01 0.02 -0.00 0.01 -0.00 -0.01 -0.01 -0.03 0.02 -0.03 -0.01 -0.02 -0.01 -0.01 -0.05 0.01 -0.05 0.03 0.01 -0.00 0.00 0.01 0.01 0.04 0.01 0.01 -0.02 -0.00 0.00 -0.01 -0.04 0.03 -0.02 -0.00 0.00 -0.01 0.01 0.05 -0.08 -0.05 0.05 0.15 0.24 0.03 0.32 0.00 0.02 -0.05 -0.08 0.09 0.09 0.04 0.03 0.03 0.13 0.02 -0.36 0.00 -0.21 -0.14 -0.26 -0.16 0.00 0.00 0.01 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 0.01 0.01 0.01 -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 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.04 0.01 0.01 -0.00 -0.00 -0.00 -0.02 0.01 0.02 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.03 0.02 -0.05 0.26 0.02 0.41 -0.31 -0.22 0.45 -0.05 0.02 -0.09 0.28 -0.12 0.44 -0.02 -0.01 -0.00 -0.01 -0.02 -0.01 -0.01 -0.01 0.03 -0.03 -0.00 -0.01 0.16 -0.01 0.05 0.12 0.08 -0.12 0.17 0.02 0.08 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 0.01 0.01 0.00 -0.01 -0.02 0.03 -0.03 0.01 -0.02 -0.04 -0.10 -0.02 -0.17 -0.04 -0.04 0.11 0.16 0.08 -0.01 0.03 -0.00 0.12 0.18 0.10 -0.12 -0.02 0.05 -0.29 -0.11 -0.12 0.30 0.05 -0.00 0.02 0.01 0.06 0.04 -0.01 0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.01 0.01 0.00 -0.02 -0.01 0.00 -0.02 0.02 0.00 0.00 0.01 0.01 -0.01 0.01 0.01 0.01 0.04 -0.03 0.05 -0.02 0.04 -0.06 -0.16 0.11 -0.08 -0.02 -0.04 -0.04 -0.02 0.05 0.03 0.02 -0.00 0.00 0.01 0.00 0.08 0.01 0.03 -0.05 -0.01 -0.00 0.07 -0.09 0.10 0.04 0.01 -0.07 0.03 0.02 0.13 0.01 -0.03 0.17 -0.02 -0.17 -0.05 -0.15 0.08 -0.01 -0.03 -0.01 -0.09 0.08 0.08 -0.18 -0.04 -0.06 0.14 0.25 -0.23 0.25 -0.10 0.26 0.29 0.08 0.03 0.02 0.02 0.01 0.03 0.04 0.02 -0.01 0.02 -0.00 0.04 0.06 0.02 0.05 -0.06 -0.02 -0.03 -0.08 -0.04 0.01 -0.03 -0.01 -0.01 0.05 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 0.01 0.01 0.03 -0.02 0.02 0.02 0.01 0.00 0.00 0.01 0.00 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.03 0.01 -0.02 -0.01 0.02 0.02 0.01 -0.00 -0.00 0.04 0.05 -0.07 -0.39 -0.31 0.30 -0.22 -0.15 0.18 0.20 -0.17 0.52 0.04 0.03 0.00 -0.01 -0.04 0.13 -0.15 0.09 -0.19 -0.04 -0.17 -0.20 0.02 0.00 0.03 -0.01 -0.01 0.04 0.04 0.01 0.02 0.08 0.04 0.02 0.03 0.03 -0.04 -0.02 0.00 -0.09 -0.03 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 0.01 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 0.00 -0.01 0.01 -0.01 -0.02 -0.04 0.01 -0.04 -0.00 -0.03 0.01 -0.01 0.07 0.05 -0.10 -0.19 -0.17 0.09 -0.10 -0.05 0.07 -0.09 -0.05 -0.05 0.09 0.14 0.20 -0.41 0.09 0.42 -0.30 0.46 0.05 -0.35 0.03 0.02 0.01 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.01 0.01 0.01 0.02 -0.01 -0.02 -0.01 -0.02 -0.01 0.01 -0.01 -0.00 -0.01 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 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 0.00 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 -0.02 0.02 -0.02 -0.01 0.03 0.02 0.02 -0.00 0.00 0.03 -0.03 -0.01 0.32 0.25 -0.20 -0.40 -0.21 0.22 -0.33 0.57 0.10 0.02 0.02 -0.01 -0.02 -0.11 0.17 -0.09 0.01 -0.07 -0.11 -0.13 -0.08 0.04 0.02 0.03 -0.01 -0.00 -0.01 0.00 -0.00 0.02 0.01 0.01 -0.02 -0.01 -0.00 -0.03 -0.03 -0.00 -0.01 0.01 0.01 -0.00 -0.02 -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 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.02 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.09 0.04 -0.06 -0.07 0.04 0.08 -0.00 -0.01 -0.02 -0.00 -0.00 0.08 0.01 -0.17 -0.26 0.04 0.28 -0.32 0.05 -0.14 -0.31 0.03 0.04 -0.00 0.00 -0.34 0.38 -0.14 0.09 -0.17 -0.27 -0.35 -0.23 0.02 0.01 0.02 -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 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.04 -0.03 -0.03 0.01 0.02 0.04 0.02 0.00 0.05 -0.00 -0.02 0.05 0.06 0.02 -0.06 -0.01 0.02 -0.01 0.05 0.04 -0.00 -0.03 -0.02 -0.09 0.08 0.10 -0.00 -0.01 0.02 -0.06 0.02 -0.08 0.07 0.03 -0.08 0.01 0.01 -0.00 0.03 -0.00 0.01 0.14 0.09 0.02 0.04 0.17 0.12 -0.02 0.01 0.00 -0.04 0.03 0.02 0.52 0.00 0.21 0.26 -0.40 -0.33 -0.10 -0.04 -0.19 0.01 0.00 0.01 0.00 -0.06 -0.08 -0.06 0.05 -0.07 0.00 -0.00 -0.02 0.02 -0.00 -0.01 -0.17 0.13 0.15 -0.21 -0.11 -0.04 0.05 0.03 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.01 -0.01 0.02 0.01 -0.00 0.02 0.07 0.05 0.06 -0.03 -0.04 -0.07 -0.03 -0.00 -0.10 0.00 0.04 -0.10 -0.10 -0.05 0.11 0.01 -0.03 0.02 -0.10 -0.08 0.01 0.05 0.04 0.16 -0.15 -0.18 -0.00 -0.01 0.01 -0.03 0.02 -0.04 0.04 0.02 -0.04 0.01 0.00 0.00 0.01 0.00 0.01 -0.26 -0.16 -0.03 -0.08 -0.31 -0.21 -0.01 0.01 -0.00 -0.03 0.03 0.01 0.39 -0.05 0.19 0.18 -0.38 -0.26 -0.17 -0.02 -0.14 -0.00 -0.00 -0.00 0.01 0.03 0.03 0.02 -0.02 0.03 -0.01 0.01 -0.00 -0.01 0.01 0.00 0.13 -0.16 -0.04 0.13 0.10 -0.01 -0.09 -0.09 -0.05 0.04 0.02 0.03 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.02 -0.02 -0.01 0.00 -0.01 -0.02 -0.02 -0.02 -0.01 -0.01 0.03 0.01 -0.01 0.01 0.03 0.02 0.03 -0.01 -0.02 -0.03 -0.01 0.00 -0.05 0.00 0.02 -0.05 -0.05 -0.02 0.05 0.00 -0.01 0.02 -0.05 -0.04 0.00 0.02 0.02 0.07 -0.07 -0.08 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.02 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.11 -0.07 -0.01 -0.03 -0.14 -0.09 -0.01 -0.00 -0.00 -0.01 -0.02 0.00 -0.04 0.10 -0.09 0.02 0.18 0.02 0.21 -0.02 -0.01 0.01 0.00 0.03 0.01 -0.12 -0.19 -0.12 0.12 -0.15 0.00 0.00 -0.05 0.04 -0.02 -0.02 -0.36 0.45 0.13 -0.38 -0.29 0.01 0.22 0.24 0.13 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 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 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.04 -0.12 -0.01 -0.18 0.13 0.08 -0.16 0.03 0.01 0.01 0.03 0.01 -0.00 0.01 0.01 0.00 0.00 0.01 0.01 -0.03 -0.01 -0.01 -0.07 -0.04 0.00 0.19 0.10 0.00 0.34 0.45 -0.23 0.60 -0.00 0.18 -0.00 0.00 0.00 -0.00 0.01 0.02 0.03 0.00 -0.00 0.01 -0.01 -0.03 -0.01 0.01 0.01 0.13 -0.13 -0.08 0.13 0.08 0.01 -0.07 -0.07 -0.02 -0.03 -0.01 -0.04 -0.04 -0.02 -0.00 0.02 0.01 0.01 0.02 0.01 -0.02 0.02 0.01 -0.03 -0.02 -0.01 -0.02 0.05 0.01 0.05 0.01 0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.02 -0.02 -0.01 0.00 0.00 0.00 0.03 -0.01 -0.02 0.00 0.00 0.01 -0.03 -0.01 -0.05 0.03 0.00 -0.03 -0.00 0.00 -0.01 0.01 -0.00 0.01 0.01 -0.00 -0.01 0.00 -0.02 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.03 -0.12 0.07 0.05 0.07 -0.03 -0.00 0.04 0.17 -0.02 -0.01 -0.02 0.05 0.29 0.34 0.36 -0.15 0.23 -0.02 -0.02 -0.21 0.01 -0.01 0.01 -0.23 0.08 0.27 -0.29 0.11 -0.29 0.22 -0.06 -0.31 0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 0.01 -0.00 0.02 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 0.01 -0.03 0.01 0.01 -0.02 -0.00 -0.01 0.01 -0.03 0.00 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 0.01 0.02 -0.05 -0.10 -0.54 0.32 0.16 0.09 -0.14 -0.22 0.18 0.61 0.01 0.00 0.00 -0.02 -0.12 -0.16 -0.15 0.07 -0.11 0.01 0.01 0.08 -0.00 -0.00 0.00 -0.01 0.02 -0.00 -0.01 -0.02 0.02 0.00 0.02 0.02 0.18 0.09 -0.04 0.10 0.05 0.00 -0.00 0.01 -0.05 -0.16 -0.09 0.10 0.06 -0.02 0.27 -0.13 -0.07 0.07 -0.14 -0.08 0.03 -0.05 -0.01 -0.00 0.08 0.02 0.01 -0.01 -0.01 -0.00 0.01 0.01 0.01 0.02 -0.01 -0.02 0.02 -0.01 -0.01 -0.05 -0.01 0.01 0.01 0.02 0.01 -0.07 0.04 0.05 -0.02 -0.01 -0.00 -0.07 0.03 0.05 0.00 -0.01 -0.02 0.05 0.02 0.08 -0.06 0.01 0.05 0.02 -0.00 0.02 -0.02 0.01 -0.04 -0.05 -0.01 0.01 -0.01 0.04 0.03 -0.02 0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.08 0.05 0.02 -0.04 -0.02 -0.09 0.02 0.05 -0.00 -0.00 0.00 0.14 0.25 0.14 0.37 0.03 0.02 -0.04 0.01 -0.57 0.02 0.02 -0.02 0.13 0.08 -0.23 0.14 0.01 0.07 0.01 0.08 0.11 -0.02 0.02 -0.16 0.05 0.02 -0.01 -0.05 -0.01 -0.10 -0.20 -0.11 0.07 0.00 -0.04 0.20 0.04 -0.01 0.16 -0.02 -0.04 0.13 -0.01 -0.01 0.03 0.04 0.05 0.05 0.09 0.00 -0.04 -0.07 -0.06 -0.02 -0.04 0.06 0.06 -0.05 0.06 0.06 0.29 0.09 -0.03 -0.08 -0.06 -0.02 0.24 -0.09 -0.15 0.07 0.01 -0.02 0.23 -0.09 -0.15 0.00 0.00 0.02 -0.03 -0.02 -0.04 0.03 -0.01 -0.02 -0.02 0.01 -0.03 0.03 -0.01 0.05 0.27 0.08 -0.03 0.08 -0.01 -0.04 0.01 -0.00 0.01 -0.01 -0.00 0.01 0.01 0.08 -0.05 -0.04 -0.01 0.03 0.04 -0.03 -0.09 -0.00 0.01 -0.03 0.00 -0.12 -0.27 -0.15 0.12 -0.21 0.01 -0.00 0.12 -0.00 0.00 -0.01 -0.02 -0.01 0.02 0.02 0.21 -0.20 0.19 -0.01 -0.25 0.06 0.01 0.12 -0.01 -0.01 0.01 0.03 0.00 0.06 0.12 0.06 -0.03 0.01 0.02 -0.10 -0.05 -0.00 -0.11 -0.02 0.01 -0.09 -0.06 -0.01 -0.01 -0.02 -0.01 -0.01 0.12 0.00 -0.04 -0.08 -0.07 -0.03 -0.05 0.07 0.07 -0.06 0.07 0.08 0.36 0.10 -0.04 -0.09 -0.07 -0.02 0.32 -0.13 -0.20 0.08 0.01 -0.02 0.29 -0.11 -0.19 0.00 -0.00 -0.01 0.02 0.01 0.04 -0.04 0.02 0.03 0.01 0.00 0.01 -0.00 0.00 -0.01 0.33 0.10 -0.04 0.10 -0.02 -0.05 -0.01 0.00 -0.01 0.01 0.01 -0.01 -0.02 -0.07 0.04 0.01 -0.01 -0.01 -0.06 0.03 0.07 0.00 -0.00 0.03 0.02 0.10 0.18 0.14 -0.07 0.13 -0.01 0.00 -0.16 0.01 0.01 0.00 0.06 -0.02 -0.05 0.04 -0.16 0.18 -0.19 0.00 0.21 -0.04 -0.02 -0.03 -0.01 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.01 0.01 0.02 0.00 0.02 0.01 0.03 0.02 0.01 -0.07 -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 0.04 0.01 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.01 -0.01 0.07 -0.22 0.34 0.06 0.38 -0.36 -0.01 0.21 0.10 -0.11 0.28 -0.33 0.06 -0.38 0.02 0.01 0.00 0.01 0.01 0.00 -0.06 0.01 -0.06 -0.02 -0.01 0.02 0.13 0.08 0.01 0.18 0.06 -0.14 0.14 -0.03 -0.05 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.00 0.01 -0.01 0.00 -0.01 0.03 -0.00 -0.00 0.00 -0.02 -0.01 0.04 -0.03 0.04 -0.05 0.03 -0.02 -0.07 0.01 0.00 -0.00 0.06 0.05 -0.08 -0.03 -0.03 0.10 -0.12 -0.05 -0.04 -0.09 -0.03 -0.09 0.00 0.01 -0.02 -0.02 -0.01 0.02 0.00 0.01 0.01 -0.02 -0.01 0.00 -0.05 -0.20 -0.14 0.13 0.14 0.06 -0.08 0.14 0.13 0.03 -0.18 -0.15 -0.29 -0.03 0.07 -0.09 -0.17 -0.10 0.26 -0.04 -0.12 0.07 0.32 0.22 -0.24 -0.06 0.04 -0.00 0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.01 0.00 -0.01 0.18 -0.07 -0.12 -0.10 -0.40 -0.27 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.02 -0.00 -0.01 0.01 0.00 -0.00 0.02 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.02 0.03 -0.02 0.03 0.00 -0.03 -0.01 0.00 -0.02 0.22 0.16 -0.30 -0.12 -0.12 0.37 -0.45 -0.19 -0.15 -0.33 -0.10 -0.36 0.03 0.04 -0.10 -0.05 -0.05 0.10 -0.00 -0.01 -0.00 0.02 0.02 0.00 0.01 0.05 0.04 -0.02 -0.03 -0.02 0.03 -0.04 -0.04 -0.02 0.05 0.04 0.06 -0.00 -0.02 0.01 0.04 0.03 -0.07 0.02 0.03 -0.01 -0.08 -0.06 0.07 0.00 -0.02 -0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.03 0.03 0.03 0.03 0.10 0.06 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 0.03 -0.00 0.01 -0.01 -0.01 0.01 -0.04 -0.02 0.04 -0.03 -0.05 0.05 0.00 -0.01 0.11 -0.01 0.00 -0.02 -0.02 -0.01 0.00 0.04 0.10 -0.08 0.11 0.03 -0.10 -0.01 -0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.01 0.02 -0.02 -0.01 -0.01 -0.01 -0.00 -0.02 0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.03 -0.00 0.01 -0.01 0.02 0.02 0.19 0.01 -0.06 -0.31 -0.07 0.06 -0.27 0.06 0.14 0.27 -0.07 -0.15 0.29 0.19 0.05 0.31 0.08 -0.05 0.17 -0.20 -0.21 -0.15 -0.01 0.05 -0.19 0.20 0.23 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.30 -0.20 -0.04 -0.17 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 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.02 0.01 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.09 -0.11 -0.19 0.97 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -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 0.01 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 0.01 0.00 -0.01 -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 0.03 0.00 -0.04 -0.19 0.42 0.59 -0.23 0.06 -0.27 -0.01 -0.53 0.13 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 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 -0.01 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 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 -0.01 0.00 -0.02 -0.02 0.02 0.01 -0.00 0.02 0.00 -0.05 -0.24 -0.15 -0.17 -0.30 0.49 0.48 0.31 -0.40 0.27 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 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 0.01 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 0.02 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.01 -0.05 0.45 -0.34 0.19 -0.04 0.50 0.35 -0.43 -0.26 0.03 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.02 0.02 0.01 -0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.09 -0.03 -0.15 0.33 0.49 0.07 -0.03 0.08 0.01 0.75 -0.20 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 -0.02 -0.03 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.05 -0.08 -0.01 0.08 0.03 0.05 -0.24 0.40 0.40 -0.42 0.53 -0.38 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.04 0.01 -0.02 -0.03 -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 0.00 -0.00 0.00 0.04 -0.08 -0.02 -0.52 0.38 -0.22 -0.03 0.59 0.42 0.07 0.03 -0.01 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 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.16 0.05 -0.08 -0.11 -0.03 -0.08 -0.00 -0.00 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 -0.04 0.03 -0.08 -0.06 0.12 0.15 0.58 -0.15 0.68 -0.01 -0.27 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 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.04 0.04 0.00 -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 0.06 0.64 0.19 -0.34 -0.48 -0.11 -0.37 -0.01 0.00 -0.00 0.05 0.02 -0.02 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.02 0.01 -0.03 -0.04 -0.13 0.04 -0.16 0.00 0.08 -0.02 -0.01 0.00 0.00 0.04 -0.03 0.02 0.00 -0.03 -0.02 0.03 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 -0.05 -0.06 -0.03 -0.00 -0.00 -0.00 0.01 -0.02 -0.02 -0.01 0.02 0.02 0.57 0.65 0.29 0.01 -0.00 -0.00 0.05 0.05 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 0.11 -0.26 -0.24 -0.10 -0.00 0.04 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.02 0.02 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 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 -0.02 -0.01 0.01 0.02 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 -0.08 -0.04 -0.02 0.31 -0.24 0.13 -0.03 0.24 0.17 0.73 0.44 -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 0.02 -0.05 -0.04 -0.01 -0.01 -0.00 0.03 0.03 0.02 -0.21 0.53 0.49 0.00 -0.01 -0.01 0.09 0.10 0.05 -0.02 -0.00 0.01 -0.36 -0.39 -0.18 0.00 0.00 -0.00 -0.05 -0.01 0.03 0.02 0.01 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 0.09 0.08 0.25 0.00 -0.09 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 -0.01 0.03 0.03 -0.02 -0.02 -0.01 0.01 0.01 0.00 0.12 -0.31 -0.29 0.02 -0.04 -0.03 0.19 0.22 0.10 -0.04 0.00 0.02 -0.08 -0.08 -0.04 -0.00 -0.00 0.00 0.02 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.19 0.44 0.40 0.52 0.00 -0.19 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -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 -0.03 -0.01 -0.01 -0.00 -0.04 -0.04 -0.02 -0.13 0.31 0.29 0.01 -0.03 -0.03 0.10 0.11 0.05 0.02 0.00 -0.00 0.42 0.45 0.21 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 0.00 -0.00 -0.16 0.39 0.36 -0.21 -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 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.03 -0.03 -0.02 -0.05 0.13 0.12 -0.01 0.03 0.02 -0.07 -0.07 -0.03 -0.06 0.00 0.02 0.31 0.34 0.16 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 0.11 -0.28 -0.25 0.70 0.00 -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 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -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 -0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.11 -0.03 0.06 -0.04 -0.01 -0.03 -0.07 -0.04 0.04 0.81 0.40 -0.40 -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 -0.01 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 -0.00 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 -0.01 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 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 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 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.03 -0.06 0.69 0.43 0.47 -0.08 0.12 0.12 0.15 -0.19 0.12 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -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 -0.09 -0.02 -0.02 0.52 0.15 -0.28 0.59 0.14 0.48 -0.01 -0.00 0.00 0.10 0.05 -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 -0.01 -0.01 0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -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 0.02 -0.00 0.06 -0.06 -0.03 0.01 -0.23 0.01 -0.64 0.64 0.33 -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 0.01 -0.00 0.00 0.00 0.00 -0.02 0.00 -0.07 -0.06 -0.03 0.02 0.24 -0.01 0.69 0.60 0.30 -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 6 6 6 1 1 7 7 5 1 6 6 6 6 1 6 1 6 1 6 1 1 6 1 1 1 8 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 6 6 6 1 1 7 7 5 1 6 6 6 6 1 6 1 6 1 6 1 1 6 1 1 1 8 6 1 1 1 6 1 1 1 6 1 1 1 12.00000 12.00000 12.00000 1.00783 1.00783 14.00307 14.00307 11.00931 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 15.99491 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 243.16687 2914.10674 5910.18105 6745.30393 0.99994 0.00291 -0.01057 -0.00285 0.99998 0.00575 0.01058 -0.00572 0.99993 asymmetric 1 0.02972 0.01466 0.01284 0.61931 0.30536 0.26756 843415.8 23.59 55.23 92.26 111.52 131.01 162.50 177.66 185.38 206.16 249.81 277.26 320.73 337.43 357.12 380.32 404.55 432.50 493.71 524.87 572.44 602.97 660.94 702.56 822.11 853.37 877.04 885.57 918.89 940.83 994.92 1005.36 1030.02 1040.50 1050.09 1105.71 1160.65 1191.83 1226.56 1240.96 1267.35 1304.61 1355.71 1363.97 1461.04 1464.29 1474.29 1485.15 1524.30 1531.46 1535.82 1557.16 1587.51 1596.03 1627.51 1649.55 1657.68 1689.79 1707.49 1713.41 1737.21 1760.01 1762.26 1807.65 1852.38 1897.62 1914.90 1956.65 1989.10 2015.58 2028.70 2077.77 2091.34 2098.10 2107.10 2117.82 2120.10 2127.27 2139.61 2148.97 2157.84 2184.21 2203.83 2207.47 2278.95 2376.99 2385.27 2423.61 3658.88 4346.53 4402.02 4406.74 4469.99 4537.00 4544.25 4559.20 4564.79 4565.32 4580.11 4582.88 4598.46 4609.86 4630.22 4638.31 4647.02 4706.88 4735.09 4766.32 0.321240 0.339386 0.340330 0.273581 -753.927887 -753.909741 -753.908797 -753.975546 212.968 68.816 140.485 0.000 0.000 1.377 0.889 2.981 42.367 0.889 2.981 33.118 211.191 62.854 63.623 1 0.593 1.986 7.029 2 0.594 1.982 5.341 3 0.597 1.971 4.326 4 0.599 1.964 3.953 5 0.602 1.956 3.637 6 0.607 1.939 3.218 7 0.610 1.929 3.045 8 0.611 1.924 2.963 9 0.616 1.910 2.760 10 0.627 1.875 2.396 11 0.635 1.850 2.202 12 0.649 1.806 1.935 13 0.654 1.788 1.844 14 0.662 1.766 1.743 15 0.671 1.738 1.633 16 0.681 1.708 1.526 17 0.693 1.673 1.414 18 0.722 1.589 1.197 19 0.738 1.545 1.102 20 0.764 1.475 0.971 21 0.782 1.429 0.895 22 0.817 1.340 0.768 23 0.844 1.276 0.688 24 0.928 1.093 0.502 25 0.951 1.046 0.462 26 0.969 1.012 0.433 27 0.975 0.999 0.424 0.834671e+22 21.921516 50.476155 0.725731e+07 6.860776 15.797520 0.200000e+01 0.301030 0.693147 0.149043e+09 8.173310 18.819743 0.385833e+07 6.586399 15.165745 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -5.0830 -1.5787 -1.2775 5.4737 -97.7742 -109.3254 -103.9577 8.1587 -4.0235 2.0810 5.9116 -5.6397 -0.2719 8.1587 -4.0235 2.0810 -67.8274 -8.6672 -21.8510 -15.8946 -2.7280 -7.5941 -27.4080 -6.4582 4.7801 13.5618 -3597.2150 -1556.1366 -930.2338 77.8967 -44.5754 34.9268 -19.0517 -1.5429 -7.8295 -823.6949 -772.9773 -401.3668 19.9398 -26.3880 22.9010 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) 0 2-A -754.2491273 0.782409 0. 0.750287 5.037E-9 1.436E-6 0.3212401 0.3393862 -753.9097411 -753.9087969 -753.9755459 4.4426585,-4.1597091,-0.2829494,-6.0218597,-3.0175812,-1.6360402 C01 [X(C14H20B1N2O1)] 1.9957834 -0.6264213 0.5119195 0.80778 -1.4586009 0.2536979 -0.4613892 0.3397626 -0.0763069 0.4662916 -0.866919 0.5321504 0.1488672 0.0015601 -0.1899811 -0.0879134 -0.1732951 0.0853589 0.0819457 -0.0666032 -0.163692 -0.1276094 0.0529305 0.2939138 -0.0059457 -0.1268393 -0.0759263 -0.0735597 0.2445373 0.3075702 0.0863009 0.0415109 -0.0071621 0.0222818 0.1339545 -0.0208391 -0.0286568 -0.001934 0.0395997 0.0497558 0.0600715 -0.002558 0.0542337 0.1320881 -0.0063233 0.0180773 -0.0156636 0.0852348 -0.7771493 0.8579839 -0.252196 0.2978121 -0.4622995 0.0073657 0.4977888 -0.7393241 -0.5715615 -0.3438416 0.068831 0.3471573 0.0206054 0.0566756 -0.2819612 -0.5211251 0.8096784 -0.7690066 0.3270162 0.3449177 -0.093701 0.4138725 -0.8597449 0.2479624 -0.1778072 0.5800155 0.2132773 -0.2136032 0.0282799 0.0516081 -0.0040365 0.0752781 -0.1081652 0.0562397 -0.0936094 -0.3277824 0.2180882 -0.0048897 -0.0129845 -0.1929341 0.0129562 -0.0222213 -0.1695459 0.0170226 -0.1565888 -0.228488 -0.025616 -0.0161439 0.0964568 -0.0251434 -0.1107578 -0.0613279 -0.074146 -0.0209472 -0.2446753 -0.0626113 -0.0113025 -0.0978663 -0.0406427 -0.0324845 0.156072 -0.0422703 -0.0766009 0.0418056 -0.0809336 0.0017214 -0.122036 0.0333919 -0.0845727 0.0237111 -0.0882543 -0.0533242 0.0848733 -0.0483756 0.065651 -0.0359461 -0.0104813 0.0890832 0.0494004 0.083721 0.002489 0.0780793 0.0108637 -0.0186008 0.0096146 0.0459264 -0.114162 -0.0260731 -0.1154726 -0.0219749 0.000869 0.1097025 -0.0325963 0.0857722 0.011627 0.0449834 -0.0374429 0.0246888 0.0505481 -0.0877853 -0.0212974 -0.0694211 0.0377911 -0.1131751 -0.0072964 -0.0465927 -0.0131408 -0.1109143 -0.0290952 0.076435 -0.0299661 0.1083465 -0.0079488 0.0627124 -0.0317594 0.0610325 0.0735575 -0.3174006 0.3120642 -0.0939375 -0.4251696 1.2698915 -0.303479 -0.2225191 0.4101909 -0.2943847 -0.0506051 -0.035431 0.0751937 0.0454209 -0.0248857 0.0034609 0.0169481 0.0826548 0.016921 0.0640383 -0.0211273 -0.0384902 0.1454363 -0.0163481 0.0538168 -0.0836665 0.0602267 0.018163 0.6287346 0.6443533 0.3023281 0.1424062 -0.9867326 0.3499299 0.6065257 0.2307571 0.5501458 -0.0419847 0.0539316 0.0131764 0.0452833 0.1591856 -0.0452994 0.0224907 -0.0643525 0.0276577 0.0307234 -0.0254609 0.0355595 -0.0532943 -0.0127614 0.1008611 0.0648365 0.1049738 0.0194587 -0.1100828 0.0035082 0.0627939 0.0051126 0.0862295 0.0216795 0.0686876 0.0197816 0.0793314 -1.1323733 -1.1252183 -0.2080909 0.0583227 -0.0652189 -0.0801179 -0.2350005 -0.8734257 -0.557314 0.7547415 0.4713331 -0.0269407 -0.0371836 0.1037332 -0.0060215 -0.1594696 -0.1651976 0.2760914 -0.0224373 -0.0457767 -0.0003803 -0.0524982 -0.0328736 0.0659413 0.1336813 0.1657449 -0.0462489 -0.0441743 -0.0598077 -0.0504953 -0.0066471 0.0774327 -0.0090273 -0.1161289 -0.0497738 -0.0336491 -0.0181772 -0.0856275 -0.0059052 0.0449247 -0.0588913 -0.0312056 0.0422658 0.0114695 0.0077634 0.1818353 -0.0433193 -0.0758613 -0.0851119 0.287375 0.1112569 -0.3013215 0.4718618 0.5208867 0.0457157 -0.151939 -0.0649874 -0.0310064 0.0013969 -0.0306965 0.0582416 -0.0654797 -0.0150441 0.0801801 -0.0085498 -0.0050969 -0.0244716 -0.0211706 0.0728673 0.0728045 -0.0788379 -0.0415804 -0.0683173 0.1131971 0.0501352 0.0830091 0.0358354 -0.0326521 -0.0371411 -0.0005305 0.0490093 0.1172285 0.1810078 -0.3474142 0.0041153 0.1031587 0.1892916 -0.1710608 -0.0756584 0.4026257 0.0892736 0.0091024 0.0461054 0.0786362 0.0343535 0.002977 0.0032815 0.0511567 0.0457328 0.0443379 -0.0681466 0.1104273 -0.0479516 -0.0060947 0.0843249 0.0687396 0.0464595 -0.0578353 -0.022445 -0.0688558 -0.0552558 -0.0280524 0.0442945 -0.1143569 -0.0078306 0.01462 0.0002355 233.8541012|-21.0792259|200.0587304|-1.717231|-15.2946841|161.5989819 -0.000001426 -0.000002682 0.000000506 0.000000844 0.000001067 -0.000000390 0.000001272 0.000001295 -0.000000217 0.000000834 0.000001058 -0.000000381 0.000000897 0.000001479 -0.000000531 0.000000071 0.000001035 -0.000000154 0.000001168 -0.000001250 0.000000825 0.000001075 -0.000000444 0.000001036 -0.000000921 0.000000950 -0.000000049 0.000002557 -0.000003932 0.000000672 -0.000004833 0.000001901 0.000001844 0.000000109 -0.000001981 0.000000995 -0.000000680 -0.000001412 0.000000898 0.000000300 -0.000000147 -0.000002489 0.000001112 -0.000001608 0.000000350 0.000001060 -0.000000669 -0.000000022 -0.000000069 -0.000001433 0.000000475 -0.000000663 -0.000001921 0.000000668 -0.000003099 0.000002481 -0.000004845 0.000000041 -0.000000198 0.000001777 0.000001254 0.000000105 0.000002537 -0.000002175 -0.000001482 0.000000083 -0.000000988 -0.000000005 -0.000000195 0.000001013 -0.000001689 0.000000504 0.000000230 -0.000002296 0.000000616 -0.000000734 0.000001649 -0.000000096 -0.000001203 0.000000957 -0.000000436 -0.000001467 0.000001191 -0.000000466 -0.000000758 0.000001036 -0.000000379 0.000001170 0.000004452 -0.000001652 0.000000299 0.000001577 -0.000000218 0.000002276 -0.000000164 -0.000000406 0.000000069 0.000001116 -0.000000178 0.000000524 0.000001032 -0.000000401 -0.000001119 -0.000000587 0.000000645 0.000000267 -0.000001970 0.000000807 0.000000368 0.000000011 -0.000001045 0.000001323 0.000001476 -0.000000690 222.97359999999998 AuxInfo=1/0/N:31,35,17,13,15,11,12,3,2,10,1,8,6,7;19,27,22,26/E:(1,2)(4,5)(6,7)(8,9)(13,14);/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;1.3,3.3/rA:38nC3C3C3HHNNBHC3C3C3C3HC3HC3HC3HHC3HHHOCHHHCHHHCHHH/rB:;s2;s2;s3;s1s3;s1s2;s1;s8;s8;s10;s10;s11;s11;s12;s12;s13s15;s13;;s19;s19;s19;s22;s15;s17;s22;s26;s27;s27;s27;s6;s31;s31;s31;s7;s35;s35;s35;/rC:.8818,-.8615,-.2361;2.3123,-1.2544,1.4741;2.8992,-1.714,.3439;2.6649,-1.2489,2.501;3.8593,-2.1987,.1934;2.0285,-1.465,-.6976;1.0871,-.7241,1.1175;-.2604,-.3167,-1.1176;-.1274,-.547,-2.3047;-1.7566,-.261,-.5695;-2.6912,.7012,-.993;-2.2357,-1.2373,.3259;-4.0103,.7047,-.5407;-2.3847,1.4748,-1.7025;-3.5518,-1.2464,.7856;-1.5533,-2.0212,.6708;-4.4487,-.2689,.3561;-4.7031,1.4732,-.8936;.4789,1.7739,-1.291;1.4139,1.5169,-1.7932;-.35,1.9938,-1.9647;.4957,2.4672,-.1009;-.4105,2.8975,.3309;-3.8813,-2.0243,1.4794;-5.4816,-.2691,.7122;1.5289,2.5324,.7746;2.8014,2.1712,.3115;3.1028,2.7875,-.5545;3.5045,2.3437,1.1363;2.8516,1.108,.0205;2.258,-1.8264,-2.0771;1.4318,-2.4467,-2.4521;2.3277,-.9321,-2.7124;3.1969,-2.3902,-2.1449;.2276,-.0359,2.0581;-.5722,.4719,1.5132;-.2267,-.7461,2.7658;.8113,.7203,2.6013; Gaussian 16 8-Oct-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 108 C1[X(C14H20BN2O)] 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 0 222.97359999999998 AuxInfo=1/0/N:31,35,17,13,15,11,12,3,2,10,1,8,6,7;19,27,22,26/E:(1,2)(4,5)(6,7)(8,9)(13,14);/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;1.3,3.3/rA:38nC3C3C3HHNNBHC3C3C3C3HC3HC3HC3HHC3HHHOCHHHCHHHCHHH/rB:;s2;s2;s3;s1s3;s1s2;s1;s8;s8;s10;s10;s11;s11;s12;s12;s13s15;s13;;s19;s19;s19;s22;s15;s17;s22;s26;s27;s27;s27;s6;s31;s31;s31;s7;s35;s35;s35;/rC:.8818,-.8615,-.2361;2.3123,-1.2544,1.4741;2.8992,-1.714,.3438;2.6649,-1.2489,2.501;3.8593,-2.1987,.1934;2.0285,-1.465,-.6976;1.0871,-.7241,1.1175;-.2604,-.3167,-1.1176;-.1274,-.547,-2.3047;-1.7566,-.261,-.5695;-2.6912,.7012,-.993;-2.2357,-1.2373,.3259;-4.0103,.7047,-.5407;-2.3847,1.4748,-1.7025;-3.5518,-1.2464,.7856;-1.5533,-2.0212,.6708;-4.4487,-.2689,.3561;-4.7031,1.4732,-.8936;.4789,1.7739,-1.291;1.4139,1.5169,-1.7932;-.35,1.9938,-1.9647;.4957,2.4672,-.1009;-.4105,2.8975,.3309;-3.8813,-2.0244,1.4794;-5.4816,-.2691,.7122;1.5289,2.5324,.7746;2.8014,2.1712,.3115;3.1028,2.7875,-.5545;3.5045,2.3437,1.1363;2.8516,1.108,.0205;2.258,-1.8264,-2.0771;1.4318,-2.4467,-2.4521;2.3277,-.9321,-2.7124;3.1969,-2.3902,-2.1449;.2276,-.0359,2.0581;-.5722,.4719,1.5132;-.2267,-.7461,2.7658;.8113,.7203,2.6013; chk=48_OMe_TS.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 12 12 12 1 1 14 14 11 1 12 12 12 12 1 12 1 12 1 12 1 1 12 1 1 1 16 12 1 1 1 12 1 1 1 12 1 1 1 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 14.0030740 11.0093053 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 15.9949146 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 1 2 2 3 1 0 0 0 0 1 0 1 0 1 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 4.5500000 4.5500000 2.7500000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 5.6000000 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: "48_OMe_TS.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 948 A 838 A 838 1258 948 66 65 1325.7107668901 38 38 38 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 -0.0348599980 0.000000 2.263909 0.000000 2.265624 1.353931 0.000000 3.289625 1.085863 2.219174 0.000000 3.292200 2.219281 1.086032 2.766556 0.000000 1.375574 2.200252 1.380131 3.268523 2.164333 0.000000 1.375975 1.381789 2.205027 2.163117 3.273185 2.174837 0.000000 1.542243 3.770253 3.751197 4.745677 4.715222 2.595021 2.641531 0.000000 2.323070 4.553211 4.187746 5.602265 4.986314 2.841392 3.635691 1.216526 0.000000 2.726359 4.660361 4.962077 5.473064 5.989681 3.974089 3.338774 1.594445 2.397342 0.000000 3.972510 5.911418 6.234774 6.685710 7.261292 5.201439 4.556420 2.638229 3.138728 1.406581 0.000000 3.189904 4.690650 5.156956 5.361630 6.171806 4.391184 3.454110 2.613971 3.441138 1.408672 2.388436 0.000000 5.145734 6.919008 7.373882 7.591313 8.420263 6.418706 5.547540 3.929125 4.444725 2.452041 1.394546 2.769794 0.000000 4.275340 6.292896 6.501971 7.112466 7.488489 5.397094 4.984085 2.839746 3.089612 2.165882 1.093513 3.389972 2.141363 0.000000 4.566026 5.904351 6.482974 6.449067 7.495524 5.778182 4.680017 3.914044 4.665359 2.455577 2.774356 1.394133 2.403339 3.867481 0.000000 2.845524 4.021932 4.475029 4.662590 5.436580 3.874430 2.975560 2.788426 3.613882 2.162875 3.387375 1.095029 3.864614 4.306464 2.146504 0.000000 5.395873 6.923227 7.488609 7.494274 8.530755 6.670425 5.606400 4.440224 5.082380 2.846711 2.418654 2.415787 1.394382 3.396787 1.394377 3.398918 0.000000 6.088834 7.890552 8.335721 8.556938 9.379767 7.347500 6.511464 4.794926 5.197045 3.434237 2.157238 3.862912 1.093177 2.455438 3.397248 4.957750 2.159034 0.000000 2.867134 4.491917 4.549323 5.319369 5.423357 3.639245 3.522879 2.224239 2.604219 3.107844 3.359832 4.364637 4.675353 2.908411 5.447969 4.730856 5.582672 5.205846 0.000000 2.892122 4.377428 4.148735 5.258807 4.871628 3.235726 3.687917 2.573263 2.626225 3.835394 4.261080 5.039334 5.625843 3.799880 6.240462 5.233860 6.494414 6.182882 1.091992 0.000000 3.557839 5.428031 5.443793 6.288707 6.320890 4.384801 4.353413 2.462542 2.573160 3.001533 2.845338 4.386608 4.133680 2.116144 5.321103 4.951157 5.225380 4.513012 1.090537 1.835254 0.000000 3.353780 4.430648 4.843285 5.028423 5.759472 4.262418 3.466794 3.058760 3.785653 3.568752 3.751137 4.622345 4.858474 3.441987 5.564110 4.994009 5.669410 5.352044 1.377453 2.147069 2.100757 0.000000 4.015142 5.094903 5.676279 5.599999 6.649923 5.102745 3.997139 3.528723 4.346430 3.549459 3.431863 4.519657 4.304288 3.171203 5.219764 5.061104 5.131579 4.685554 2.164250 3.121855 2.467794 1.092162 0.000000 5.194401 6.241205 6.881869 6.670643 7.848651 6.322781 5.148447 4.771933 5.531165 3.438264 3.867543 2.158269 3.397869 4.960692 1.093271 2.464392 2.159984 4.305787 6.411911 7.161611 6.362177 6.467611 6.131043 0.000000 6.460837 7.892709 8.512360 8.397914 9.552236 7.734265 6.596880 5.532739 6.151939 3.939294 3.411125 3.409165 2.163996 4.296853 2.164331 4.301458 1.092586 2.494133 6.611632 7.550758 6.214474 6.623990 5.990716 2.496062 0.000000 3.599876 3.929747 4.482818 4.309264 5.305861 4.289132 3.304196 3.860045 4.659265 4.517163 4.928171 5.346427 5.979492 4.750928 6.331950 5.499699 6.614698 6.537821 2.438143 2.763643 3.365118 1.355783 2.022746 7.108563 7.549846 0.000000 3.630669 3.650383 3.886584 4.063232 4.497672 3.851958 3.459887 4.196001 4.776074 5.240881 5.833536 6.081884 7.019690 5.606822 7.229602 6.055434 7.649746 7.632572 2.849506 2.604353 3.891461 2.360841 3.293012 7.976475 8.644235 1.401432 0.000000 4.283652 4.590963 4.594839 5.081416 5.098443 4.388486 4.380624 4.611360 4.961538 5.736525 6.173729 6.743383 7.411820 5.757956 7.896319 6.804738 8.197272 7.923025 2.907736 2.449750 3.813209 2.665545 3.624824 8.721708 9.199963 2.075685 1.104819 0.000000 4.362949 3.805486 4.178469 3.933745 4.652760 4.477515 3.905804 5.131513 5.778197 6.113386 6.754076 6.813914 7.872189 6.595185 7.924833 6.697044 8.407545 8.499566 3.920543 3.692672 4.959385 3.255513 4.035144 8.587617 9.367826 2.017236 1.097475 1.793593 0.000000 2.797317 2.825719 2.840912 3.426829 3.461177 2.795294 2.770094 3.606905 4.125561 4.843351 5.649314 5.610156 6.896652 5.524688 6.865282 5.442250 7.436546 7.618547 2.791635 2.350220 3.869867 2.722561 3.733615 7.567809 8.474484 2.084970 1.103421 1.792890 1.788354 0.000000 2.492872 3.597352 2.506937 4.632340 2.803261 1.444388 3.576556 3.089059 2.716428 4.565188 5.662036 5.129781 6.932477 5.709041 6.502718 4.702662 7.302456 7.793912 4.092162 3.459940 4.626982 5.044480 5.935898 7.097795 8.372972 5.259596 4.688432 4.931594 5.410126 3.655556 0.000000 2.779602 4.196609 3.241480 5.242984 3.599058 2.097118 3.978503 3.030099 2.462098 4.299784 5.388674 4.757174 6.572836 5.523242 6.063013 4.341044 6.870906 7.445273 4.479971 4.018087 4.809503 5.527364 6.300796 6.623014 7.908868 5.934051 5.553193 5.812955 6.334071 4.556912 1.099063 0.000000 2.868426 4.198875 3.206035 5.233935 3.520524 2.105450 4.031206 3.101691 2.518388 4.660965 5.550988 5.490824 6.896842 5.387019 6.848631 5.262586 7.468279 7.650218 3.572262 2.770860 4.036143 4.661718 5.605818 7.570752 8.552956 4.979935 4.358684 4.369503 5.189172 3.450338 1.099258 1.778944 0.000000 3.367533 3.894832 2.596120 4.813590 2.437936 2.077445 4.227366 4.160239 3.804450 5.617203 6.749292 6.078388 8.005990 6.803528 7.445867 5.534326 8.319221 8.882632 5.045464 4.309121 5.642066 5.921926 6.863138 7.960516 9.379647 5.961371 5.195822 5.417312 5.768081 4.128640 1.097233 1.792454 1.789865 0.000000 2.524453 2.484284 3.590564 2.758293 4.619994 3.588817 1.448122 3.225250 4.406985 3.300308 4.286184 3.242127 5.026168 4.821658 4.167539 3.006269 4.981797 5.941512 3.815060 4.318614 4.542676 3.316417 3.463347 4.601257 5.870283 3.152342 3.813935 4.802500 4.153347 3.513658 4.942512 5.253962 5.288786 5.659046 0.000000 2.636666 3.361799 4.265691 3.796834 5.339709 3.924661 2.083323 2.764125 3.976508 2.505517 3.289899 2.664218 4.011686 3.825147 3.515679 2.808521 4.112732 4.884634 3.265461 3.996036 3.802770 2.779748 2.703184 4.145173 5.029182 3.034163 3.963901 4.810710 4.501673 3.788825 5.116894 5.315835 5.313788 5.981591 1.092897 0.000000 3.202099 2.893689 4.071122 2.946958 5.042141 4.195014 2.107963 3.907239 5.075407 3.701363 4.721902 3.198451 5.230060 5.436441 3.902257 2.788320 4.884558 6.193087 4.827583 5.347583 5.468048 4.366366 4.386088 4.079741 5.661960 4.218547 4.868624 5.881874 5.111186 4.522234 5.549297 5.733183 6.047353 6.208011 1.100746 1.780973 0.000000 3.249242 2.724467 3.921864 2.706210 4.858871 4.140018 2.088948 4.006763 5.153261 4.196528 5.018574 4.277042 5.755042 5.413533 5.118685 4.102881 5.803977 6.571880 4.046022 4.506519 4.880412 3.233123 3.374529 5.550810 6.644351 2.671313 3.362853 4.414007 3.469178 3.312670 5.519584 5.995949 5.767569 6.155683 1.098864 1.777532 1.804082 0.000000 C14H20BN2O(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 0 222.97359999999998 AuxInfo=1/0/N:31,35,17,13,15,11,12,3,2,10,1,8,6,7;19,27,22,26/E:(1,2)(4,5)(6,7)(8,9)(13,14);/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;1.3,3.3/rA:38nC3C3C3HHNNBHC3C3C3C3HC3HC3HC3HHC3HHHOCHHHCHHHCHHH/rB:;s2;s2;s3;s1s3;s1s2;s1;s8;s8;s10;s10;s11;s11;s12;s12;s13s15;s13;;s19;s19;s19;s22;s15;s17;s22;s26;s27;s27;s27;s6;s31;s31;s31;s7;s35;s35;s35;/rC:-.8786,-.8639,.2343;-2.3226,-1.239,-1.4685;-2.9005,-1.7104,-.3385;-2.6833,-1.2228,-2.4926;-3.8595,-2.1966,-.1856;-2.0216,-1.4722,.6985;-1.0946,-.7123,-1.1161;.2706,-.3283,1.1124;.147,-.571,2.298;1.7624,-.2668,.553;2.7003,.691,.9791;2.2343,-1.2336,-.3563;4.0159,.6993,.5165;2.3995,1.4571,1.6991;3.5468,-1.2379,-.8264;1.5492,-2.0139,-.7039;4.447,-.2649,-.3939;4.7114,1.4641,.8719;-.4672,1.7604,1.3134;-1.3982,1.4981,1.8202;.367,1.9733,1.9828;-.4935,2.4661,.1308;.4093,2.9009,-.3037;3.8707,-2.0086,-1.5309;5.4771,-.2614,-.7581;-1.5336,2.5404,-.7357;-2.8023,2.1743,-.2664;-3.0969,2.7815,.6083;-3.5119,2.3554,-1.0837;-2.8503,1.1081,.0139;-2.2402,-1.848,2.076;-1.4111,-2.4722,2.4379;-2.3049,-.9604,2.7211;-3.1786,-2.4125,2.1453;-.2425,-.0143,-2.0563;.5616,.4878,-1.5124;.2062,-.7171,-2.7749;-.8305,.7474,-2.5869; 0.6193120 0.3053614 0.2675552 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= 941 941 941 941 941 MxSgAt= 38 MxSgA2= 38. 1 open 1 1 1 -754.675201958092 -754.864730490641 -0.189528532549 -755.060781483461 -0.196050992820 -755.061061574234 -0.000280090773 -755.061124511958 -0.000062937725 -755.061136162793 -0.000011650834 -755.061136919012 -0.000000756219 -755.061137132180 -0.000000213168 -755.061137222079 -0.000000089899 -755.061137270241 -0.000000048163 -755.061137288954 -0.000000018712 -755.061137293542 -0.000000004588 -755.061137295091 -0.000000001549 -755.061137295608 -0.000000000517 -755.061137295756 -0.000000000148 -755.061137295807 -0.000000000051 -755.061137295819 -0.000000000012 -755.061137296 17 0.7821 7.508083884809e+02 -4.406303037978e+03 1.574757605310e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1571046154 LenY= 1570146502 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. 0.7821 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 C C C H H N N B H C C C C H C H C H C H H C H H H O C H H H C H H H C H H H 13 13 13 1 1 14 14 11 1 13 13 13 13 1 13 1 13 1 13 1 1 13 1 1 1 17 13 1 1 1 13 1 1 1 13 1 1 1 -0.01574 -0.00296 -0.00385 -0.00041 -0.00013 0.01742 0.01703 0.03896 -0.00658 -0.01593 0.00548 0.01412 -0.00138 -0.00045 -0.00018 -0.00015 0.00166 0.00020 -0.02745 0.00717 0.00585 0.03214 -0.00689 0.00014 -0.00034 0.01475 0.00003 0.00171 -0.00022 0.00129 -0.00218 0.00137 0.00199 0.00008 -0.00379 0.00028 0.00250 0.00169 -17.69790 -3.33276 -4.32503 -1.82532 -0.57461 5.62759 5.50124 55.88750 -29.39030 -17.90953 6.16454 15.87555 -1.54585 -2.02215 -0.19944 -0.66514 1.86640 0.88094 -30.86386 32.02881 26.15540 36.13272 -30.79414 0.61141 -1.52913 -8.94347 0.03669 7.66327 -0.97775 5.77709 -2.45287 6.12141 8.88306 0.34029 -4.26367 1.26656 11.16293 7.55928 -6.31505 -1.18921 -1.54328 -0.65132 -0.20503 2.00806 1.96298 19.94205 -10.48719 -6.39057 2.19966 5.66479 -0.55160 -0.72155 -0.07116 -0.23734 0.66598 0.31434 -11.01299 11.42867 9.33290 12.89305 -10.98811 0.21817 -0.54563 -3.19125 0.01309 2.73444 -0.34889 2.06141 -0.87525 2.18427 3.16970 0.12143 -1.52138 0.45194 3.98321 2.69734 -5.90339 -1.11169 -1.44267 -0.60886 -0.19167 1.87716 1.83502 18.64206 -9.80355 -5.97398 2.05627 5.29551 -0.51564 -0.67452 -0.06653 -0.22187 0.62256 0.29385 -10.29508 10.68366 8.72450 12.05258 -10.27182 0.20395 -0.51006 -2.98322 0.01224 2.55619 -0.32614 1.92703 -0.81819 2.04188 2.96307 0.11351 -1.42221 0.42248 3.72355 2.52150 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 -0.009533 -0.004878 0.002814 -0.001265 0.002160 -0.032000 -0.070067 -0.074011 -0.016947 0.005371 -0.001046 -0.007209 0.007138 0.001001 0.009024 0.002035 -0.007794 0.001515 0.062859 -0.008832 -0.008523 -0.215532 0.014028 0.001447 0.002305 -0.168260 0.007458 0.005394 0.004499 0.003335 0.000494 -0.001374 -0.000210 0.000416 -0.001692 -0.002114 -0.000994 -0.003777 0.081514 0.014630 0.001326 -0.001056 -0.000349 0.154629 0.202908 0.175151 0.000448 -0.001314 -0.008930 -0.005744 -0.001657 -0.000341 -0.001901 -0.001479 -0.000537 -0.000704 -0.140680 0.002645 0.003005 0.337623 0.004612 -0.000671 -0.001654 0.272594 -0.002526 -0.002255 -0.001691 0.000766 -0.002953 -0.000387 -0.002575 -0.000495 -0.001951 0.000397 -0.002164 -0.000204 -0.071981 -0.009751 -0.004139 0.002321 -0.001811 -0.122629 -0.132841 -0.101140 0.016499 -0.004057 0.009976 0.012953 -0.005480 -0.000661 -0.007123 -0.000556 0.008331 -0.000811 0.077821 0.006187 0.005518 -0.122091 -0.018640 -0.000776 -0.000651 -0.104334 -0.004932 -0.003139 -0.002808 -0.004101 0.002460 0.001761 0.002785 0.000079 0.003643 0.001717 0.003158 0.003981 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 -0.101697 -0.008173 -0.001861 0.000134 0.002377 -0.165333 -0.174500 -0.081919 -0.004227 0.005705 -0.006497 -0.001507 0.002595 0.000779 0.000488 -0.001886 -0.007277 -0.000073 0.066916 -0.003232 -0.000935 -0.178762 0.014392 -0.000400 -0.000457 -0.068109 0.003348 -0.000832 -0.000368 0.000749 0.001768 0.002243 0.000654 0.002025 0.002274 0.000302 -0.000122 0.000433 -0.003445 0.001658 0.002973 0.002983 0.000272 -0.035245 -0.039550 0.005584 0.000699 -0.001045 0.016496 -0.004147 -0.003923 0.002249 -0.002996 -0.001395 0.008344 -0.000222 0.020125 0.004446 -0.004696 -0.096745 -0.025581 -0.000850 -0.001003 -0.042881 -0.000557 -0.002609 0.002071 -0.000678 -0.003084 -0.001609 -0.003459 -0.002736 -0.001080 -0.003959 -0.002481 -0.000137 0.004128 0.005877 -0.001310 0.000724 -0.000332 0.058275 0.085407 -0.003558 -0.004812 0.012696 -0.013062 -0.015565 0.008187 0.001275 0.007807 0.003226 -0.017784 0.000253 -0.084716 -0.001370 -0.004719 0.310512 0.002813 0.000331 -0.000832 0.204705 -0.001882 0.000276 0.000091 -0.000773 -0.001922 -0.004220 -0.000690 -0.002163 0.000075 0.000873 0.000428 -0.000281 0.8272 0.5308 0.1845 -0.1419 -0.1204 0.9825 -0.5437 0.8389 0.0243 -0.0756 -0.072 0.1475 -10.138 -9.66 19.799 -3.618 -3.447 7.065 -3.382 -3.222 6.604 1 C 13 -0.4841 -0.3165 0.8157 0.8168 0.171 0.5511 -0.3139 0.933 0.1757 -0.013 -0.0055 0.0185 -1.747 -0.734 2.481 -0.623 -0.262 0.885 -0.583 -0.245 0.827 2 C 13 -0.3233 0.0954 0.9415 0.5008 0.8614 0.0846 0.8029 -0.4988 0.3263 -0.0053 1.0E-4 0.0052 -0.71 0.015 0.695 -0.253 0.006 0.248 -0.237 0.005 0.232 3 C 13 0.8569 0.1281 -0.4993 -0.1776 0.9827 -0.0527 0.4839 0.1339 0.8648 -0.003 -0.0011 0.0041 -1.592 -0.597 2.189 -0.568 -0.213 0.781 -0.531 -0.199 0.73 4 H 1 -0.3652 0.5909 0.7194 0.3641 -0.6205 0.6945 0.8568 0.5156 0.0115 -0.0022 -0.0014 0.0036 -1.185 -0.732 1.917 -0.423 -0.261 0.684 -0.395 -0.244 0.64 5 H 1 0.227 -0.066 0.9717 0.8376 0.5223 -0.1602 -0.4969 0.8502 0.1738 -0.1348 -0.1284 0.2632 -5.2 -4.951 10.15 -1.855 -1.767 3.622 -1.734 -1.651 3.386 6 N 14 0.7375 0.4731 -0.482 0.5226 0.0522 0.851 -0.4277 0.8795 0.2087 -0.1562 -0.1519 0.308 -6.022 -5.858 11.881 -2.149 -2.09 4.239 -2.009 -1.954 3.963 7 N 14 -0.5718 -0.1573 0.8052 0.7686 0.2406 0.5928 -0.2869 0.9578 -0.0166 -0.1044 -0.0953 0.1998 -17.877 -16.324 34.201 -6.379 -5.825 12.204 -5.963 -5.445 11.408 8 B 11 0.9738 0.2272 0.012 -0.2213 0.9337 0.2816 0.0528 -0.2769 0.9594 -0.0179 -0.0 0.0179 -9.564 -0.001 9.565 -3.413 -0.0 3.413 -3.19 -0.0 3.19 9 H 1 0.2102 -0.6738 0.7084 0.8372 -0.2502 -0.4863 0.5049 0.6953 0.5115 -0.0164 0.0043 0.0122 -2.206 0.573 1.633 -0.787 0.205 0.583 -0.736 0.191 0.545 10 C 13 -0.2903 0.7697 0.5686 0.7995 0.5216 -0.2978 0.5258 -0.3681 0.7668 -0.0161 -0.0114 0.0276 -2.164 -1.534 3.698 -0.772 -0.547 1.32 -0.722 -0.512 1.234 11 C 13 0.3686 0.7948 0.4821 0.9244 -0.3683 -0.0994 -0.0986 -0.4822 0.8705 -0.0159 -0.0062 0.022 -2.131 -0.827 2.958 -0.761 -0.295 1.056 -0.711 -0.276 0.987 12 C 13 0.2261 -0.6014 0.7663 0.1103 0.7974 0.5933 0.9679 0.0496 -0.2466 -0.0131 0.0048 0.0083 -1.753 0.643 1.11 -0.626 0.23 0.396 -0.585 0.215 0.37 13 C 13 -0.4638 -0.3283 0.8229 -0.4927 0.8675 0.0685 0.7363 0.3736 0.5641 -0.0024 -7.0E-4 0.0031 -1.3 -0.364 1.664 -0.464 -0.13 0.594 -0.434 -0.121 0.555 14 H 1 0.1226 -0.5719 0.8111 0.2179 0.8129 0.5402 0.9682 -0.1105 -0.2242 -0.0131 0.0034 0.0097 -1.755 0.459 1.297 -0.626 0.164 0.463 -0.585 0.153 0.432 15 C 13 0.0914 0.7729 -0.6279 0.7153 0.3877 0.5814 0.6928 -0.5023 -0.5174 -0.0043 -1.0E-4 0.0044 -2.307 -0.065 2.372 -0.823 -0.023 0.846 -0.77 -0.022 0.791 16 H 1 0.1718 0.807 0.5649 0.9344 0.0482 -0.3531 0.3122 -0.5885 0.7458 -0.0145 -0.0113 0.0259 -1.951 -1.519 3.47 -0.696 -0.542 1.238 -0.651 -0.507 1.157 17 C 13 0.0516 -0.6134 0.7881 0.0947 0.7886 0.6076 0.9942 -0.0433 -0.0987 -0.001 -5.0E-4 0.0015 -0.545 -0.276 0.822 -0.195 -0.099 0.293 -0.182 -0.092 0.274 18 H 1 -0.2672 0.9125 0.3098 0.9586 0.2188 0.1821 -0.0983 -0.3456 0.9332 -0.189 0.082 0.1071 -25.367 10.998 14.369 -9.051 3.924 5.127 -8.461 3.668 4.793 19 C 13 0.9499 0.207 -0.2342 -0.0915 0.9006 0.425 0.2989 -0.3823 0.8744 -0.0106 0.0023 0.0083 -5.673 1.241 4.432 -2.024 0.443 1.581 -1.892 0.414 1.478 20 H 1 0.9273 0.1805 0.3278 -0.327 0.8169 0.4751 -0.182 -0.5477 0.8166 -0.0104 6.0E-4 0.0097 -5.53 0.339 5.191 -1.973 0.121 1.852 -1.845 0.113 1.732 21 H 1 0.4241 -0.3052 0.8526 0.8684 0.4044 -0.2872 -0.2571 0.8622 0.4365 -0.2814 -0.2668 0.5482 -37.758 -35.799 73.557 -13.473 -12.774 26.247 -12.595 -11.941 24.536 22 C 13 0.5037 -0.2419 0.8293 -0.2255 0.8899 0.3965 0.8339 0.3867 -0.3937 -0.035 0.0022 0.0328 -18.674 1.184 17.49 -6.663 0.422 6.241 -6.229 0.395 5.834 23 H 1 0.2227 -0.4211 0.8792 0.3057 0.8866 0.3472 0.9257 -0.1914 -0.3262 -0.0011 -7.0E-4 0.0018 -0.613 -0.362 0.976 -0.219 -0.129 0.348 -0.205 -0.121 0.325 24 H 1 0.1977 0.8222 0.5338 0.206 -0.5673 0.7974 0.9584 -0.0477 -0.2815 -0.0023 -3.0E-4 0.0026 -1.229 -0.17 1.399 -0.439 -0.061 0.499 -0.41 -0.057 0.467 25 H 1 0.4873 -0.2866 0.8248 0.861 0.3149 -0.3993 -0.1453 0.9048 0.4002 -0.2008 -0.1733 0.3741 14.529 12.538 -27.067 5.184 4.474 -9.658 4.846 4.182 -9.029 26 O 17 -0.0984 0.5372 0.8377 -0.2954 0.7881 -0.54 0.9503 0.3006 -0.0812 -0.0061 -0.0025 0.0086 -0.815 -0.334 1.149 -0.291 -0.119 0.41 -0.272 -0.112 0.383 27 C 13 0.2687 -0.0261 0.9629 0.106 0.9944 -0.0026 0.9574 -0.1027 -0.2699 -0.0039 -0.0023 0.0062 -2.067 -1.251 3.318 -0.738 -0.446 1.184 -0.69 -0.417 1.107 28 H 1 -0.2576 -0.1082 0.9602 0.0198 0.9929 0.1172 0.966 -0.0492 0.2536 -0.0034 -0.0017 0.0051 -1.8 -0.9 2.7 -0.642 -0.321 0.964 -0.6 -0.3 0.901 29 H 1 0.0742 0.1407 0.9873 -0.2914 0.9498 -0.1135 0.9537 0.2793 -0.1115 -0.0043 6.0E-4 0.0036 -2.274 0.335 1.939 -0.811 0.12 0.692 -0.758 0.112 0.647 30 H 1 -0.2812 0.9474 0.1527 0.7694 0.1275 0.6259 -0.5736 -0.2935 0.7648 -0.0038 -0.0017 0.0055 -0.508 -0.231 0.739 -0.181 -0.082 0.264 -0.17 -0.077 0.247 31 C 13 -0.3874 0.792 0.4719 0.8568 0.1203 0.5014 -0.3404 -0.5986 0.7251 -0.004 -0.002 0.006 -2.134 -1.067 3.201 -0.761 -0.381 1.142 -0.712 -0.356 1.068 32 H 1 -0.4632 0.8677 -0.1803 0.6971 0.4824 0.5304 -0.5472 -0.12 0.8284 -0.0028 -0.0024 0.0052 -1.484 -1.274 2.758 -0.529 -0.455 0.984 -0.495 -0.425 0.92 33 H 1 0.4942 0.3486 0.7964 -0.6059 0.795 0.028 0.6234 0.4964 -0.6041 -0.0026 -0.0021 0.0047 -1.369 -1.128 2.497 -0.488 -0.402 0.891 -0.457 -0.376 0.833 34 H 1 -0.6949 0.7118 -0.1028 0.6852 0.6987 0.2058 -0.2183 -0.0726 0.9732 -0.0042 3.0E-4 0.0039 -0.561 0.04 0.521 -0.2 0.014 0.186 -0.187 0.014 0.174 35 C 13 0.8339 -0.1408 0.5337 0.1986 0.9787 -0.0521 -0.515 0.1494 0.8441 -0.0047 4.0E-4 0.0043 -2.507 0.22 2.288 -0.895 0.078 0.816 -0.836 0.073 0.763 36 H 1 -0.5234 0.7963 -0.3033 0.7405 0.6012 0.3005 -0.4216 0.0674 0.9043 -0.0022 -0.0021 0.0043 -1.199 -1.12 2.319 -0.428 -0.4 0.828 -0.4 -0.374 0.774 37 H 1 PT11729.900S Tue Oct 8 12:29:32 2024 -19.27666 -14.50051 -14.49764 -10.33834 -10.33309 -10.33262 -10.33128 -10.32877 -10.32103 -10.31976 -10.26941 -10.26896 -10.26827 -10.26586 -10.26527 -10.26421 -10.25312 -6.78952 -1.16651 -1.14551 -1.03782 -0.93038 -0.89047 -0.85240 -0.84656 -0.82076 -0.81932 -0.79459 -0.79209 -0.71382 -0.69889 -0.67260 -0.66867 -0.65911 -0.63799 -0.59875 -0.59148 -0.58823 -0.56522 -0.55628 -0.55527 -0.54506 -0.53866 -0.53742 -0.53651 -0.51338 -0.51059 -0.49283 -0.48883 -0.48122 -0.48008 -0.47786 -0.46112 -0.44575 -0.43797 -0.43151 -0.41205 -0.40325 -0.39335 -0.37866 -0.36617 -0.35782 -0.31627 -0.31013 -0.29419 -0.17210 0.06413 0.07219 0.07498 0.08050 0.10552 0.11735 0.12637 0.13591 0.14508 0.14826 0.15542 0.15631 0.15895 0.16625 0.16923 0.17866 0.18323 0.18620 0.18756 0.19515 0.19908 0.20239 0.20819 0.21075 0.21505 0.21989 0.23742 0.24203 0.24608 0.25290 0.25408 0.26225 0.26809 0.27711 0.27931 0.28915 0.29223 0.29712 0.30162 0.30393 0.31054 0.31746 0.32595 0.32808 0.33062 0.34146 0.34247 0.34687 0.34982 0.36070 0.36290 0.37207 0.37531 0.38088 0.38533 0.39061 0.39737 0.40607 0.41005 0.41676 0.42086 0.42693 0.43142 0.43328 0.43888 0.44633 0.44981 0.45035 0.45927 0.46373 0.46770 0.47334 0.47810 0.47891 0.48335 0.48777 0.48969 0.49628 0.50389 0.50779 0.50982 0.51094 0.51681 0.51898 0.52154 0.52764 0.53403 0.53872 0.54144 0.54978 0.55336 0.55742 0.56700 0.56990 0.57624 0.58028 0.58418 0.58717 0.59195 0.59226 0.60030 0.60269 0.60468 0.61768 0.62394 0.62847 0.63382 0.63878 0.64346 0.65236 0.66195 0.67664 0.67968 0.68789 0.69262 0.70372 0.70729 0.71569 0.72002 0.72812 0.73423 0.74245 0.74940 0.75347 0.75613 0.76336 0.77006 0.77922 0.78296 0.78645 0.79673 0.80151 0.80945 0.81266 0.81917 0.82880 0.83329 0.83909 0.85189 0.85948 0.86981 0.87717 0.87914 0.88505 0.90327 0.90683 0.91046 0.91886 0.92398 0.93044 0.94321 0.94833 0.95533 0.96319 0.96972 0.97872 0.98315 0.99190 0.99811 1.00023 1.00833 1.01398 1.02265 1.03212 1.04251 1.04724 1.05256 1.05926 1.06257 1.07534 1.07677 1.07808 1.07851 1.08817 1.09199 1.09577 1.10081 1.10686 1.11399 1.11734 1.13031 1.13469 1.13927 1.14656 1.15390 1.16023 1.16912 1.17714 1.18997 1.19240 1.19340 1.19992 1.20745 1.21597 1.21858 1.22624 1.23041 1.23990 1.24397 1.25228 1.26166 1.26587 1.27706 1.28370 1.28500 1.29643 1.29776 1.31213 1.31723 1.32242 1.32572 1.32779 1.33950 1.34768 1.35093 1.36439 1.36681 1.37894 1.38182 1.38349 1.39420 1.40416 1.40737 1.41570 1.41728 1.42137 1.43265 1.43899 1.44402 1.45019 1.45534 1.46419 1.46623 1.47116 1.48522 1.49045 1.49604 1.50091 1.51136 1.51847 1.52214 1.52663 1.53252 1.53955 1.54117 1.55256 1.55770 1.56594 1.57420 1.58200 1.58805 1.58851 1.59770 1.60192 1.60265 1.61623 1.62077 1.62619 1.63808 1.65041 1.65638 1.66205 1.66825 1.67125 1.68743 1.69070 1.69427 1.70155 1.71278 1.71835 1.72424 1.73240 1.74258 1.75371 1.76414 1.76912 1.79143 1.79611 1.79750 1.80601 1.81602 1.81717 1.83164 1.84880 1.85163 1.86306 1.86752 1.88191 1.89056 1.89295 1.90008 1.91221 1.92577 1.94282 1.94557 1.95629 1.96638 1.97334 1.97970 1.99632 2.00821 2.01009 2.02167 2.03231 2.04591 2.05623 2.06732 2.08176 2.09265 2.10681 2.11247 2.12584 2.12790 2.13826 2.14666 2.15636 2.17397 2.18182 2.19233 2.19789 2.20961 2.21975 2.22948 2.24322 2.25499 2.26928 2.29712 2.30896 2.31249 2.33790 2.36275 2.36774 2.37768 2.38720 2.39480 2.40334 2.42208 2.44790 2.46068 2.47269 2.47955 2.48513 2.50731 2.51047 2.52316 2.53133 2.54281 2.54752 2.55869 2.58147 2.59079 2.60800 2.62222 2.63348 2.64457 2.65426 2.65540 2.67496 2.68069 2.68990 2.70511 2.70985 2.71405 2.73772 2.74825 2.75326 2.76233 2.77605 2.78285 2.78809 2.79232 2.81103 2.81410 2.82276 2.82650 2.83378 2.83566 2.85838 2.86499 2.86570 2.87306 2.87648 2.88685 2.89213 2.90364 2.90488 2.91999 2.92330 2.92822 2.93658 2.93781 2.94086 2.95101 2.95420 2.96284 2.97691 2.98103 2.99029 2.99212 3.00769 3.01218 3.01927 3.02540 3.03451 3.04296 3.04705 3.05401 3.05807 3.05990 3.07138 3.07258 3.07875 3.09058 3.10109 3.10809 3.11996 3.12594 3.13024 3.13371 3.14368 3.14702 3.15113 3.15595 3.16978 3.17573 3.17978 3.18287 3.18859 3.19155 3.20136 3.21317 3.21623 3.22105 3.22807 3.23289 3.23989 3.24805 3.25128 3.25451 3.26479 3.27045 3.27949 3.28324 3.28735 3.29045 3.29595 3.30396 3.31293 3.31696 3.32386 3.32931 3.33498 3.34527 3.34955 3.35782 3.36416 3.37174 3.37552 3.38148 3.39383 3.39690 3.41116 3.41519 3.42817 3.43434 3.43771 3.44526 3.44943 3.45773 3.46598 3.47225 3.47490 3.48134 3.48580 3.49435 3.50369 3.50682 3.52627 3.52966 3.53346 3.53875 3.54547 3.55618 3.55903 3.56076 3.56811 3.57781 3.58123 3.58647 3.59727 3.59936 3.60934 3.61484 3.61757 3.62602 3.63490 3.64058 3.64781 3.66050 3.66728 3.67801 3.68220 3.68966 3.69340 3.69635 3.71371 3.71845 3.72506 3.72931 3.73528 3.74532 3.75732 3.76390 3.76880 3.78299 3.78990 3.79175 3.79543 3.80347 3.80520 3.82673 3.82721 3.84516 3.84770 3.85433 3.86497 3.87068 3.87592 3.88067 3.88681 3.89154 3.89951 3.90297 3.91177 3.92913 3.93175 3.93521 3.94011 3.94053 3.95327 3.95914 3.97134 3.98210 3.98762 3.99338 4.00157 4.00723 4.00993 4.02150 4.02853 4.03571 4.03913 4.04776 4.06004 4.06258 4.07152 4.07475 4.08419 4.08696 4.09561 4.11734 4.12190 4.12984 4.13910 4.15074 4.15634 4.16930 4.17238 4.18046 4.18965 4.19157 4.19748 4.20009 4.21772 4.22006 4.23438 4.24232 4.24333 4.25589 4.26177 4.26546 4.27541 4.28462 4.28874 4.29647 4.30907 4.31095 4.31562 4.32708 4.33542 4.34317 4.34884 4.35197 4.36139 4.36453 4.37439 4.37758 4.38101 4.39395 4.40242 4.40629 4.41169 4.41547 4.42137 4.43953 4.45337 4.46787 4.47235 4.47800 4.48717 4.49490 4.50383 4.52178 4.53441 4.56038 4.56222 4.57965 4.58627 4.59941 4.61702 4.63433 4.63980 4.64435 4.66549 4.68240 4.69155 4.69849 4.70452 4.71206 4.72716 4.73922 4.74490 4.75892 4.76434 4.77594 4.78410 4.80342 4.80501 4.82383 4.83511 4.84633 4.85121 4.85667 4.87301 4.87873 4.89297 4.91018 4.91311 4.92093 4.92654 4.93178 4.94050 4.95008 4.96290 4.97240 4.98772 4.99049 5.00911 5.02028 5.02814 5.03757 5.06512 5.06660 5.07853 5.08341 5.08999 5.09890 5.11061 5.11924 5.12612 5.13559 5.15004 5.16252 5.18662 5.20358 5.21731 5.22172 5.23211 5.23713 5.24691 5.26537 5.27475 5.28986 5.30636 5.31512 5.31750 5.32963 5.36931 5.37913 5.38659 5.39772 5.40604 5.41401 5.42178 5.42723 5.43454 5.44028 5.44633 5.46557 5.46900 5.47233 5.48602 5.49629 5.51173 5.52974 5.53321 5.54448 5.55227 5.56359 5.57607 5.58045 5.58965 5.59970 5.61510 5.63273 5.64064 5.66381 5.66907 5.68782 5.70732 5.71685 5.72694 5.73767 5.76281 5.78753 5.79762 5.81005 5.82161 5.84713 5.86450 5.90248 5.95021 6.01030 6.01579 6.04453 6.05028 6.09193 6.12301 6.13755 6.18243 6.23945 6.24566 6.26883 6.29681 6.33430 6.60349 6.68527 6.71123 6.72422 6.85865 6.93442 7.08200 7.38244 7.52459 15.87229 22.85176 23.03005 23.20889 23.28258 23.29709 23.32495 23.39326 23.49171 23.65083 23.70242 23.76529 23.78776 23.84008 24.06044 33.22232 33.34226 44.39156 -19.27479 -14.49849 -14.49530 -10.33738 -10.33318 -10.33265 -10.33133 -10.32865 -10.31987 -10.31551 -10.26948 -10.26906 -10.26826 -10.26806 -10.26489 -10.26386 -10.25361 -6.78682 -1.16120 -1.14194 -1.03324 -0.92999 -0.88884 -0.84755 -0.84258 -0.82033 -0.81860 -0.79428 -0.79205 -0.71254 -0.69311 -0.67155 -0.66767 -0.65472 -0.63611 -0.59554 -0.58810 -0.58288 -0.56261 -0.55353 -0.54951 -0.54098 -0.53675 -0.53547 -0.53242 -0.51243 -0.50948 -0.49226 -0.48808 -0.48033 -0.47858 -0.47577 -0.45918 -0.44430 -0.43688 -0.42154 -0.40708 -0.39959 -0.39167 -0.36622 -0.36398 -0.34261 -0.30981 -0.30811 -0.28839 0.02769 0.07513 0.07657 0.08359 0.09498 0.10615 0.11725 0.12649 0.13638 0.14509 0.14899 0.15592 0.15725 0.16020 0.16713 0.17047 0.17941 0.18370 0.18714 0.18835 0.19699 0.19984 0.20692 0.20899 0.21128 0.21768 0.22110 0.23835 0.24331 0.24720 0.25394 0.25441 0.26255 0.26967 0.27809 0.28069 0.29080 0.29258 0.29776 0.30120 0.30430 0.31357 0.31891 0.32760 0.32976 0.33173 0.34221 0.34450 0.34919 0.35117 0.36174 0.36355 0.37335 0.37607 0.38286 0.38816 0.39105 0.39877 0.40650 0.41203 0.41800 0.42229 0.42781 0.43332 0.43637 0.44016 0.44702 0.45075 0.45155 0.46038 0.46452 0.46847 0.47387 0.47873 0.47950 0.48449 0.48904 0.49190 0.49655 0.50451 0.50798 0.51066 0.51171 0.51737 0.51940 0.52230 0.52822 0.53556 0.53940 0.54181 0.55093 0.55484 0.55828 0.56713 0.57093 0.57706 0.58111 0.58505 0.58926 0.59254 0.59284 0.60111 0.60345 0.60563 0.61928 0.62509 0.62925 0.63479 0.63986 0.64416 0.65296 0.66310 0.67793 0.68198 0.68991 0.69355 0.70483 0.70834 0.71667 0.72170 0.72865 0.73468 0.74269 0.75127 0.75456 0.75697 0.76413 0.77111 0.78022 0.78363 0.78719 0.79714 0.80289 0.81060 0.81366 0.82013 0.82923 0.83420 0.84006 0.85309 0.86029 0.87124 0.87811 0.88008 0.88684 0.90417 0.90791 0.91094 0.91970 0.92601 0.93126 0.94402 0.94943 0.95602 0.96391 0.97071 0.97973 0.98577 0.99306 0.99973 1.00068 1.00900 1.01467 1.02373 1.03307 1.04324 1.04855 1.05346 1.06063 1.06312 1.07599 1.07710 1.07900 1.07930 1.08895 1.09265 1.09658 1.10203 1.10758 1.11485 1.11834 1.13156 1.13539 1.14003 1.14850 1.15468 1.16114 1.17001 1.17795 1.19103 1.19340 1.19458 1.20176 1.20863 1.21691 1.21970 1.22723 1.23143 1.24072 1.24617 1.25349 1.26351 1.26679 1.27842 1.28448 1.28644 1.29748 1.29879 1.31292 1.31834 1.32279 1.32709 1.32896 1.34070 1.34913 1.35314 1.36530 1.36806 1.38017 1.38273 1.38489 1.39536 1.40527 1.40801 1.41723 1.41842 1.42238 1.43448 1.43957 1.44531 1.45219 1.45634 1.46549 1.46730 1.47178 1.48742 1.49146 1.49857 1.50423 1.51233 1.52069 1.52309 1.52936 1.53401 1.54048 1.54388 1.55354 1.55858 1.56759 1.57656 1.58328 1.58868 1.58979 1.59859 1.60304 1.60444 1.61739 1.62258 1.62785 1.63897 1.65252 1.65849 1.66309 1.66992 1.67360 1.68824 1.69135 1.69634 1.70371 1.71434 1.71916 1.72583 1.73296 1.74371 1.75438 1.76629 1.77055 1.79237 1.79781 1.79845 1.80781 1.81787 1.81801 1.83324 1.85053 1.85497 1.86451 1.86895 1.88412 1.89242 1.89464 1.90333 1.91558 1.92673 1.94480 1.94798 1.95685 1.97032 1.97502 1.98248 1.99888 2.01060 2.01414 2.02549 2.03522 2.04880 2.05771 2.07187 2.08406 2.09705 2.10963 2.11558 2.12685 2.12962 2.14074 2.14963 2.15941 2.17745 2.18442 2.19352 2.20171 2.21155 2.22318 2.23259 2.24703 2.26008 2.27347 2.30053 2.31442 2.31616 2.33967 2.36643 2.37229 2.37937 2.38950 2.39816 2.40781 2.42499 2.45175 2.46567 2.47512 2.48077 2.48705 2.51039 2.51407 2.52657 2.53469 2.54726 2.54896 2.56431 2.58707 2.59398 2.61093 2.62548 2.63803 2.64583 2.65595 2.65686 2.67705 2.68212 2.69153 2.70652 2.71212 2.71633 2.73970 2.75105 2.75566 2.76424 2.77798 2.78512 2.78947 2.79382 2.81191 2.81626 2.82344 2.82780 2.83520 2.83752 2.85985 2.86611 2.86711 2.87499 2.87805 2.88813 2.89322 2.90488 2.90718 2.92163 2.92440 2.93038 2.93762 2.93958 2.94173 2.95348 2.95643 2.96407 2.97870 2.98294 2.99175 2.99351 3.00848 3.01334 3.02089 3.02899 3.03684 3.04409 3.04820 3.05483 3.05987 3.06160 3.07247 3.07473 3.07982 3.09191 3.10266 3.11064 3.12124 3.12717 3.13185 3.13472 3.14459 3.14824 3.15207 3.15725 3.17174 3.17675 3.18074 3.18411 3.18971 3.19340 3.20323 3.21468 3.21773 3.22210 3.22966 3.23476 3.24124 3.24969 3.25325 3.25590 3.26626 3.27223 3.28144 3.28478 3.29032 3.29174 3.29722 3.30537 3.31400 3.31928 3.32457 3.33273 3.33692 3.34696 3.35039 3.35909 3.36586 3.37388 3.37677 3.38371 3.39549 3.39975 3.41249 3.41649 3.42912 3.43536 3.43791 3.44614 3.45094 3.45882 3.46668 3.47262 3.47632 3.48310 3.48707 3.49584 3.50513 3.50854 3.52745 3.53063 3.53525 3.54080 3.54702 3.55719 3.56058 3.56211 3.57012 3.57897 3.58222 3.58779 3.59930 3.60118 3.61095 3.61569 3.61861 3.62732 3.63658 3.64232 3.64899 3.66142 3.66819 3.67915 3.68360 3.69125 3.69474 3.69772 3.71614 3.71909 3.72729 3.73027 3.73651 3.74611 3.75865 3.76504 3.77032 3.78390 3.79096 3.79335 3.79664 3.80467 3.80599 3.82764 3.82826 3.84675 3.84953 3.85583 3.86639 3.87157 3.87712 3.88242 3.88804 3.89251 3.90028 3.90419 3.91285 3.93014 3.93224 3.93610 3.94090 3.94191 3.95373 3.95992 3.97262 3.98319 3.98850 3.99420 4.00252 4.00817 4.01117 4.02266 4.02996 4.03638 4.03979 4.04870 4.06059 4.06335 4.07236 4.07605 4.08527 4.08830 4.09648 4.11786 4.12298 4.13077 4.14000 4.15159 4.15728 4.16996 4.17301 4.18135 4.19046 4.19273 4.19875 4.20069 4.21847 4.22103 4.23536 4.24342 4.24427 4.25698 4.26300 4.26659 4.27618 4.28513 4.28970 4.29725 4.30971 4.31166 4.31622 4.32793 4.33612 4.34404 4.34979 4.35258 4.36203 4.36539 4.37502 4.37823 4.38220 4.39451 4.40342 4.40697 4.41229 4.41568 4.42220 4.44091 4.45387 4.46942 4.47283 4.47880 4.48862 4.49598 4.50500 4.52294 4.53557 4.56151 4.56301 4.58030 4.58696 4.60056 4.61796 4.63504 4.64141 4.64494 4.66648 4.68309 4.69271 4.69949 4.70567 4.71277 4.72749 4.74012 4.74554 4.75985 4.76529 4.77673 4.78471 4.80455 4.80735 4.82509 4.83592 4.84734 4.85206 4.85761 4.87403 4.88094 4.89477 4.91152 4.91475 4.92307 4.92812 4.93250 4.94247 4.95205 4.96521 4.97377 4.98940 4.99219 5.01073 5.02220 5.02974 5.03905 5.06705 5.06936 5.07889 5.08518 5.09150 5.10005 5.11202 5.12084 5.12742 5.13866 5.15090 5.16220 5.18768 5.20596 5.21852 5.22294 5.23393 5.23824 5.24832 5.26683 5.27644 5.29017 5.30847 5.31541 5.31841 5.33234 5.36984 5.38056 5.38810 5.39916 5.40707 5.41544 5.42243 5.42825 5.43516 5.44122 5.44803 5.46680 5.46943 5.47500 5.48815 5.49776 5.51418 5.53048 5.53392 5.54541 5.55345 5.56463 5.57761 5.58172 5.59187 5.60091 5.61742 5.63454 5.64203 5.66586 5.67016 5.68889 5.70863 5.71766 5.72839 5.73882 5.76468 5.78782 5.79901 5.81048 5.82238 5.84778 5.86556 5.90530 5.95149 6.01210 6.01709 6.04587 6.05374 6.09341 6.12357 6.13854 6.18664 6.24139 6.25023 6.26929 6.29808 6.33576 6.60686 6.68576 6.71230 6.72610 6.86464 6.94039 7.08814 7.38405 7.52725 15.87831 22.85197 23.03064 23.20904 23.28266 23.29879 23.32888 23.39374 23.49371 23.65019 23.70244 23.76444 23.78763 23.83996 24.06052 33.22475 33.34463 44.39331 2-A. -4.8579 -1.6180 -1.2816 5.2782 -98.9603 -110.3420 -104.7466 8.2114 -3.9064 1.9552 5.7227 -5.6590 -0.0637 8.2114 -3.9064 1.9552 -64.1448 -10.5653 -22.2579 -15.1540 -2.9787 -7.8913 -27.2130 -6.2798 3.4954 14.7164 -3628.5421 -1585.8033 -949.8110 85.0027 -47.3766 35.8521 -21.9616 1.1029 -6.4661 -832.3581 -782.5197 -408.0697 21.9315 -26.2015 21.7707 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) GINC-NODO01 NSF 2024-10-08T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-755.0611373 S2=0.782116 S2-1=0. S2A=0.750305 RMSD=5.331e-09 Dipole=1.9072287,-0.6418859,0.5126407 Quadrupole=4.3008481,-4.176018,-0.1248302,-6.0626339,-2.9332684,-1.5446856 PG=C01 [X(C14H20B1N2O1)] 0 0.8817706346 -0.8614965868 -0.2360992512 0 2.3122522831 -1.2543826033 1.4740602052 0 2.8991634182 -1.7140438518 0.3438500092 0 2.6649043125 -1.2489071592 2.5010485973 0 3.8593471176 -2.1986984812 0.1934452161 0 2.0284827666 -1.4650287207 -0.6976237345 0 1.0871075402 -0.7240695303 1.1175098145 0 -0.2604193996 -0.316707287 -1.1176437492 0 -0.1274211168 -0.5470142711 -2.3047435684 0 -1.7566447606 -0.2609628682 -0.5695048562 0 -2.691162145 0.7012314509 -0.992978205 0 -2.2356728673 -1.2372531772 0.3258977532 0 -4.0103395284 0.7047173475 -0.5407435309 0 -2.384707843 1.4747905362 -1.7025290189 0 -3.5518140512 -1.2463566695 0.7855685219 0 -1.5533267783 -2.0211821934 0.670784277 0 -4.4486627938 -0.2688566768 0.3560987772 0 -4.7030853969 1.4732238369 -0.8936421873 0 0.4788589737 1.7739054918 -1.2909814191 0 1.4138578785 1.5169128161 -1.7931540666 0 -0.3500242946 1.9938414569 -1.9646673296 0 0.4957412379 2.4672470312 -0.1008677758 0 -0.4104956891 2.8974776662 0.3309349549 0 -3.8812731284 -2.0243497084 1.4794163049 0 -5.4815765261 -0.2691331974 0.7122347378 0 1.5289482614 2.5324431351 0.7745636441 0 2.8013626741 2.1711746273 0.311466062 0 3.1028054408 2.7875181457 -0.5544884014 0 3.504495774 2.3436959935 1.1362635169 0 2.8515999127 1.1080022328 0.0204683306 0 2.2580017742 -1.826435942 -2.0771024113 0 1.4318350713 -2.4467337153 -2.4520949882 0 2.3277443716 -0.9320610762 -2.7123961875 0 3.1968691746 -2.3902159112 -2.1449251882 0 0.2275838619 -0.0358817272 2.0580807215 0 -0.5721982662 0.4719167493 1.5131832532 0 -0.2267460524 -0.7460797304 2.7657850108 0 0.8112811583 0.7202575668 2.6012691611