Gaussian 16 GINC-N7637 ZW519 B-TS-cyclopropane-ABO-fo_tight_redo ES64L-G16RevC.02 18-Jun-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 26 26 38 38 220 (5D, 7F) def2SVP 72 72 72 C1[X(C10H16)] C1[X(C10H16)] C1[X(C10H16)] UwB97XD def2SVP Freq #p opt=(calcall,ts,noeigen,tight) freq uwb97xd guess=(mix,always) def2svp Int=UltraFine 120.107 0 1 AuxInfo=1/0/N:1;2;3;10;11;12;13;14;17;20;4;5;6;7;8;9;15;16;18;19;21;22;23;24;25;26/rA:26nC0C0C0H0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.881,-.0748,.5474;-2.6235,-.0546,-.7485;-3.6829,-.0392,.2693;-1.7827,-1.0124,1.0937;-2.5058,-.9639,-1.3495;-2.4838,.8531,-1.3467;-1.7613,.8449,1.1231;-4.1905,-.9644,.5467;-4.167,.9002,.5424;.0893,-.0457,.0709;.4741,1.3076,-.5289;.9638,-.1057,1.3278;.5926,-1.0956,-.769;2.0304,1.2378,-.3211;.1962,1.4014,-1.5887;.0261,2.1549,.0198;2.2613,-.0585,.5124;.8399,-1.0343,1.9057;.8243,.7573,1.9979;2.0447,-1.3111,-.3768;.2681,-1.1944,-1.8103;2.5741,1.209,-1.2779;2.3962,2.1142,.235;3.2078,-.0536,1.0744;2.2478,-2.2359,.1969;2.6976,-1.3379,-1.2646; /u/local/apps/gaussian/G16_C02/g16_avx2/g16 /u/local/apps/gaussian/G16_C02/g16_avx2/l1.exe "/work/9525085.1.houk_pod_gold.q/Gau-14628.inp" -scrdir="/work/9525085.1.houk_pod_gold.q/" nproc=12 mem=24GB #p opt=(calcall,ts,noeigen,tight) freq uwb97xd guess=(mix,always) def2 1/5=1,7=10,10=4,11=1,18=20,26=4,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=43,7=101,11=2,25=1,30=1,71=2,74=-58,75=-5,116=2,140=1/1,2,3 4/13=-1/1 5/5=2,38=5/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/10=1,25=1/1,2,3,16 1/5=1,7=10,10=4,11=1,18=20,26=4/3(3) 2/9=110/2 7/8=1,9=1,25=1,44=-1/16 99//99 2/9=110/2 3/5=43,7=101,11=2,25=1,30=1,71=2,74=-58,75=-5,116=2,140=1/1,2,3 4/13=-1/1 5/5=2,38=5/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 7/10=1,25=1/1,2,3,16 1/5=1,7=10,10=4,11=1,18=20,26=4/3(-8) 2/9=110/2 6/7=2,8=2,9=2,10=2,18=1,19=2,28=1/1 7/8=1,9=1,25=1,44=-1/16 99//99 B-TS-cyclopropane-ABO-fo_tight_redo 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 12 12 12 1 1 1 1 1 1 12 12 12 12 12 1 1 12 1 1 12 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 1 1 1 1 1 1 0 0 0 0 0 1 1 0 1 1 0 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /u/local/apps/gaussian/G16_C02/g16_avx2/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 1 1 1 1 1 2 2 2 3 3 10 10 10 11 11 11 12 12 12 13 13 14 14 14 17 17 20 20 2 3 4 7 10 3 5 6 8 9 11 12 13 14 15 16 17 18 19 20 21 17 22 23 20 24 25 26 1.4937 1.8235 1.0895 1.0917 2.0274 1.4692 1.0963 1.096 1.0912 1.0915 1.5294 1.5323 1.4356 1.5717 1.0996 1.1043 1.5331 1.1007 1.1015 1.5195 1.0952 1.5584 1.1009 1.1005 1.5513 1.1007 1.1071 1.1024 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 2 3 3 3 4 4 7 1 1 3 3 5 1 1 2 2 8 1 1 1 11 11 12 10 10 10 14 14 15 10 10 10 17 17 18 10 10 20 11 11 11 17 17 22 12 12 12 14 14 20 13 13 13 17 17 25 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 17 17 17 17 17 17 20 20 20 20 20 20 4 7 10 4 7 10 7 10 10 5 6 5 6 6 8 9 8 9 9 11 12 13 12 13 13 14 15 16 15 16 16 17 18 19 18 19 19 20 21 21 17 22 23 22 23 23 14 20 24 20 24 24 17 25 26 25 26 26 119.4387 120.0421 106.2009 100.5134 99.9228 157.5482 116.7906 92.4368 90.2985 114.266 114.9185 117.7715 117.4744 111.9655 113.8497 114.6451 120.1739 120.1466 117.3723 110.4503 111.1784 117.885 102.2868 109.2376 104.5435 99.0859 112.9451 112.4534 112.4225 111.7175 108.1197 92.6108 113.5475 113.3282 113.6073 113.9946 109.1002 106.7237 121.2233 121.0514 104.7407 112.0461 111.1365 111.7102 110.0542 107.2036 100.6397 99.3121 117.1482 110.1433 113.3777 114.6025 99.6057 115.3124 111.1947 110.6002 113.49 106.7618 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 4 4 7 7 10 10 4 4 7 7 10 10 2 2 2 3 3 3 4 4 4 7 7 7 5 5 6 6 1 1 1 12 12 12 13 13 13 1 1 1 11 11 11 13 13 13 1 1 11 11 12 12 10 10 10 15 15 15 16 16 16 10 10 10 18 18 18 19 19 19 10 10 10 21 21 21 11 11 11 22 22 22 23 23 23 12 12 12 14 14 14 24 24 24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 2 2 2 2 2 2 3 3 3 3 3 3 10 10 10 10 10 10 10 10 10 10 10 10 3 3 3 3 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 5 6 5 6 5 6 8 9 8 9 8 9 11 12 13 11 12 13 11 12 13 11 12 13 8 9 8 9 14 15 16 14 15 16 14 15 16 17 18 19 17 18 19 17 18 19 20 21 20 21 20 21 17 22 23 17 22 23 17 22 23 14 20 24 14 20 24 14 20 24 17 25 26 17 25 26 12 20 24 12 20 24 12 20 24 13 25 26 13 25 26 13 25 26 -34.9702 -166.4112 167.4719 36.0309 67.4342 -64.0068 -8.7133 130.391 -128.5714 10.5328 115.5037 -105.3921 68.8495 -178.3176 -57.6744 64.9596 177.7925 -61.5643 -169.5062 -56.6733 63.97 -52.6747 60.1582 -179.1986 12.0068 -150.2963 150.6245 -11.6785 161.1271 -79.7181 42.9914 42.7139 161.8687 -75.4218 -67.6637 51.4911 174.2006 -179.8865 62.9089 -62.3071 -61.9905 -179.1951 55.5889 51.8928 -65.3118 169.4722 -149.7819 65.9314 83.1096 -61.1771 -25.7582 -170.0449 -6.5632 114.7169 -125.3708 -126.1064 -4.8263 115.086 112.1245 -126.5954 -6.6831 54.9159 -57.7823 178.2865 172.0696 59.3714 -64.5598 -62.0977 -174.7959 61.2728 -11.6269 106.7188 -131.5747 132.7343 -108.92 12.7865 -31.1624 72.9768 -157.1072 -152.6635 -48.5243 81.3917 88.3737 -167.4871 -37.571 44.4874 -77.3066 162.7403 -60.549 177.657 57.7039 170.1942 48.4001 -71.5529 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 230 A 220 A 362 230 544.2658393557 26 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 2 out of a maximum of 156 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. -0.12252 0.00049 0.00285 0.00370 0.00533 0.01135 0.01157 0.01441 0.01487 0.01519 0.01622 0.01937 0.02096 0.02505 0.02887 0.02975 0.03227 0.03808 0.03930 0.04027 0.04081 0.04264 0.04322 0.04508 0.04567 0.04861 0.04989 0.05398 0.05610 0.05692 0.06012 0.06238 0.06419 0.06476 0.06726 0.07044 0.07643 0.07978 0.08284 0.08590 0.08852 0.09872 0.10181 0.10912 0.11785 0.17579 0.20193 0.21261 0.21873 0.22045 0.24073 0.26703 0.28053 0.29340 0.32147 0.32391 0.32662 0.33303 0.33738 0.33911 0.33999 0.34103 0.34215 0.34296 0.34451 0.35102 0.35331 0.35700 0.36350 0.36637 0.36760 0.36974 2.575717417e-14 0.00000000e+00 Linear search 1 2 0.00000509 0.00000000 0.00000000 0.00000000 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 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 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 2.82270 3.44609 2.05894 2.06297 3.83133 2.77629 2.07164 2.07119 2.06206 2.06261 2.89018 2.89570 2.71288 2.97002 2.07802 2.08688 2.89719 2.08011 2.08157 2.87138 2.06963 2.94489 2.08040 2.07970 2.93151 2.08012 2.09211 2.08322 2.08459 2.09508 1.85361 1.75431 1.74387 2.74975 2.03839 1.61328 1.57613 1.99437 2.00566 2.05556 2.05028 1.95411 1.98707 2.00088 2.09745 2.09695 2.04854 1.92769 1.94036 2.05756 1.78525 1.90656 1.82464 1.72936 1.97127 1.96269 1.96214 1.94984 1.88705 1.61636 1.98178 1.97795 1.98283 1.98958 1.90416 1.86268 2.11571 2.11270 1.82808 1.95556 1.93970 1.94971 1.92081 1.87106 1.75649 1.73332 2.04462 1.92237 1.97881 2.00019 1.73844 2.01260 1.94070 1.93034 1.98078 1.86335 -0.61041 -2.90441 2.92301 0.62900 1.17686 -1.11715 -0.15205 2.27575 -2.24395 0.18385 2.01590 -1.83949 1.20158 -3.11234 -1.00672 1.13371 3.10297 -1.07459 -2.95853 -0.98927 1.11636 -0.91942 1.04984 -3.12771 0.20964 -2.62317 2.62891 -0.20390 2.81211 -1.39144 0.75026 0.74550 2.82514 -1.31635 -1.18097 0.89867 3.04037 -3.13956 1.09802 -1.08742 -1.08195 -3.12756 0.97019 0.90570 -1.13991 2.95785 -2.61414 1.15091 1.45057 -1.06758 -0.44956 -2.96770 -0.11455 2.00219 -2.18813 -2.20097 -0.08423 2.00863 1.95694 -2.20951 -0.11664 0.95846 -1.00849 3.11168 3.00318 1.03623 -1.12678 -1.08381 -3.05076 1.06941 -0.20294 1.86258 -2.29642 2.31651 -1.90115 0.22303 -0.54389 1.27367 -2.74204 -2.66448 -0.84691 1.42056 1.54241 -2.92321 -0.65574 0.77646 -1.34926 2.84035 -1.05676 3.10070 1.00712 2.97046 0.84474 -1.24884 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 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 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 2.82270 3.44609 2.05894 2.06296 3.83133 2.77629 2.07164 2.07119 2.06206 2.06261 2.89018 2.89570 2.71288 2.97002 2.07802 2.08688 2.89719 2.08011 2.08157 2.87138 2.06963 2.94489 2.08040 2.07970 2.93151 2.08012 2.09211 2.08322 2.08459 2.09508 1.85361 1.75431 1.74387 2.74975 2.03839 1.61328 1.57613 1.99437 2.00566 2.05556 2.05028 1.95411 1.98707 2.00088 2.09745 2.09695 2.04854 1.92769 1.94036 2.05756 1.78525 1.90656 1.82464 1.72936 1.97127 1.96269 1.96214 1.94984 1.88705 1.61636 1.98178 1.97795 1.98283 1.98958 1.90416 1.86268 2.11571 2.11270 1.82808 1.95556 1.93970 1.94971 1.92081 1.87106 1.75649 1.73332 2.04462 1.92237 1.97881 2.00019 1.73844 2.01260 1.94070 1.93034 1.98078 1.86335 -0.61041 -2.90441 2.92301 0.62900 1.17686 -1.11715 -0.15205 2.27575 -2.24395 0.18385 2.01590 -1.83949 1.20159 -3.11233 -1.00671 1.13372 3.10298 -1.07458 -2.95852 -0.98926 1.11637 -0.91941 1.04985 -3.12770 0.20964 -2.62317 2.62891 -0.20390 2.81211 -1.39144 0.75026 0.74550 2.82514 -1.31635 -1.18097 0.89867 3.04037 -3.13956 1.09802 -1.08742 -1.08195 -3.12756 0.97019 0.90570 -1.13991 2.95785 -2.61414 1.15091 1.45057 -1.06757 -0.44956 -2.96770 -0.11455 2.00219 -2.18813 -2.20097 -0.08423 2.00863 1.95694 -2.20951 -0.11664 0.95846 -1.00849 3.11168 3.00318 1.03623 -1.12678 -1.08381 -3.05076 1.06941 -0.20294 1.86258 -2.29642 2.31651 -1.90115 0.22303 -0.54389 1.27367 -2.74204 -2.66448 -0.84691 1.42056 1.54241 -2.92321 -0.65574 0.77646 -1.34926 2.84035 -1.05676 3.10070 1.00712 2.97046 0.84474 -1.24884 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000024 0.000005 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -4.133643e-13 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 1 1 1 1 1 2 2 2 3 3 10 10 10 11 11 11 12 12 12 13 13 14 14 14 17 17 20 20 2 3 4 7 10 3 5 6 8 9 11 12 13 14 15 16 17 18 19 20 21 17 22 23 20 24 25 26 1.4937 1.8236 1.0895 1.0917 2.0275 1.4692 1.0963 1.096 1.0912 1.0915 1.5294 1.5323 1.4356 1.5717 1.0996 1.1043 1.5331 1.1007 1.1015 1.5195 1.0952 1.5584 1.1009 1.1005 1.5513 1.1007 1.1071 1.1024 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 2 3 3 3 4 4 7 1 1 3 3 5 1 1 2 2 8 1 1 1 11 11 12 10 10 10 14 14 15 10 10 10 17 17 18 10 10 20 11 11 11 17 17 22 12 12 12 14 14 20 13 13 13 17 17 25 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 17 17 17 17 17 17 20 20 20 20 20 20 4 7 10 4 7 10 7 10 10 5 6 5 6 6 8 9 8 9 9 11 12 13 12 13 13 14 15 16 15 16 16 17 18 19 18 19 19 20 21 21 17 22 23 22 23 23 14 20 24 20 24 24 17 25 26 25 26 26 119.4381 120.0392 106.2039 100.5148 99.9162 157.5492 116.7914 92.4339 90.3054 114.2688 114.9161 117.7747 117.4723 111.9624 113.8508 114.6418 120.1748 120.1464 117.3729 110.4484 111.1742 117.8892 102.2876 109.2379 104.544 99.0849 112.9456 112.4538 112.4225 111.7175 108.1199 92.6106 113.5476 113.3282 113.6076 113.9945 109.1001 106.7237 121.2212 121.0486 104.741 112.0456 111.1366 111.7102 110.0541 107.2038 100.6393 99.3119 117.1483 110.1436 113.3777 114.6027 99.6053 115.3133 111.1939 110.6002 113.4902 106.7619 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 4 4 7 7 10 10 4 4 7 7 10 10 2 2 2 3 3 3 4 4 4 7 7 7 5 5 6 6 1 1 1 12 12 12 13 13 13 1 1 1 11 11 11 13 13 13 1 1 11 11 12 12 10 10 10 15 15 15 16 16 16 10 10 10 18 18 18 19 19 19 10 10 10 21 21 21 11 11 11 22 22 22 23 23 23 12 12 12 14 14 14 24 24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 2 2 2 2 2 2 3 3 3 3 3 3 10 10 10 10 10 10 10 10 10 10 10 10 3 3 3 3 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 20 5 6 5 6 5 6 8 9 8 9 8 9 11 12 13 11 12 13 11 12 13 11 12 13 8 9 8 9 14 15 16 14 15 16 14 15 16 17 18 19 17 18 19 17 18 19 20 21 20 21 20 21 17 22 23 17 22 23 17 22 23 14 20 24 14 20 24 14 20 24 17 25 26 17 25 26 12 20 24 12 20 24 12 20 24 13 25 26 13 25 26 13 25 -34.9737 -166.4105 167.476 36.0391 67.4289 -64.0079 -8.7117 130.391 -128.569 10.5336 115.5026 -105.3948 68.8455 -178.3242 -57.6806 64.9566 177.7869 -61.5695 -169.5112 -56.6809 63.9627 -52.6787 60.1516 -179.2048 12.0116 -150.2966 150.6254 -11.6828 161.1219 -79.7237 42.9866 42.714 161.8685 -75.4212 -67.6646 51.4898 174.2001 -179.8836 62.9117 -62.3043 -61.9913 -179.1961 55.5879 51.8928 -65.3119 169.4721 -149.779 65.942 83.1114 -61.1676 -25.7577 -170.0366 -6.563 114.717 -125.3707 -126.1062 -4.8262 115.0861 112.1246 -126.5955 -6.6831 54.9159 -57.7824 178.2862 172.0697 59.3714 -64.5599 -62.0975 -174.7959 61.2728 -11.6276 106.7182 -131.5752 132.7262 -108.928 12.7786 -31.1627 72.9762 -157.1073 -152.6634 -48.5246 81.392 88.3737 -167.4875 -37.5709 44.488 -77.3068 162.7398 -60.548 177.6572 57.7038 170.1948 48.4 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0195872921 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 120.107 AuxInfo=1/0/N:1;2;3;10;11;12;13;14;17;20;4;5;6;7;8;9;15;16;18;19;21;22;23;24;25;26/rA:26nC0C0C0H0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.881,-.0748,.5474;-2.6235,-.0546,-.7485;-3.6829,-.0392,.2693;-1.7827,-1.0124,1.0937;-2.5058,-.9639,-1.3495;-2.4838,.8531,-1.3467;-1.7613,.845,1.1231;-4.1905,-.9644,.5467;-4.167,.9002,.5424;.0893,-.0456,.0709;.4741,1.3076,-.5289;.9638,-.1057,1.3278;.5926,-1.0956,-.769;2.0304,1.2378,-.3211;.1962,1.4014,-1.5887;.0261,2.1549,.0198;2.2613,-.0585,.5124;.8399,-1.0343,1.9057;.8242,.7573,1.9979;2.0447,-1.3111,-.3768;.2681,-1.1944,-1.8103;2.5742,1.209,-1.2779;2.3962,2.1142,.235;3.2078,-.0536,1.0744;2.2478,-2.2359,.1969;2.6976,-1.3379,-1.2646; 0.000000 1.493721 0.000000 1.823526 1.469163 0.000000 1.089543 2.240109 2.288536 0.000000 2.186078 1.096262 2.204796 2.548368 0.000000 2.193636 1.096026 2.201248 3.150718 1.817119 0.000000 1.091676 2.248486 2.281027 1.857709 3.152748 2.573324 0.000000 2.474891 2.227267 1.091196 2.469632 2.536472 3.130684 3.083375 0.000000 2.485264 2.227210 1.091489 3.105959 3.132668 2.530659 2.475470 1.864741 0.000000 2.027368 2.833948 3.777424 2.342041 3.097641 3.072179 2.307603 4.403134 4.385611 0.000000 2.935315 3.391041 4.441974 3.620525 3.835731 3.102312 2.817778 5.298806 4.780534 1.529419 0.000000 2.950078 4.145208 4.766161 2.901740 4.465684 4.467448 2.893393 5.283406 5.287171 1.532341 2.384249 0.000000 2.982226 3.380502 4.524814 3.019682 3.155102 3.687189 3.589750 4.962526 5.325135 1.435609 2.418050 2.348162 0.000000 4.216168 4.848901 5.883883 4.648022 5.146050 4.645154 4.076312 6.655963 6.266352 2.359744 1.571657 2.379330 2.777075 0.000000 3.325240 3.282832 4.535960 4.115540 3.598999 2.746216 3.390478 5.422220 4.881692 2.204457 1.099640 3.371423 2.657782 2.235564 0.000000 2.981123 3.534537 4.316557 3.802169 4.244096 3.140343 2.475450 5.271384 4.407941 2.202004 1.104330 2.774918 3.392386 2.230274 1.784404 0.000000 4.142502 5.044980 5.949170 4.195420 5.197287 5.177199 4.167762 6.515188 6.499501 2.216434 2.478906 1.533129 2.345615 1.558362 3.287971 3.183974 0.000000 3.188892 4.472176 4.911570 2.745523 4.668520 5.018717 3.303060 5.211226 5.538077 2.215272 3.397924 1.100746 2.686806 3.396789 4.307907 3.793357 2.216702 0.000000 3.180384 4.482120 4.892479 3.278035 5.025606 4.705188 2.730913 5.497086 5.201134 2.213194 2.609661 1.101520 3.338010 2.657684 3.697740 2.550107 2.222007 1.794016 0.000000 4.218254 4.848654 5.902562 4.110996 4.666245 5.111908 4.624221 6.312752 6.657338 2.371740 3.057387 2.350884 1.519465 2.549507 3.499011 4.030453 1.551286 2.595756 3.377385 0.000000 3.380962 3.284522 4.611892 3.559749 2.821352 3.461222 4.108782 5.048511 5.439930 2.211445 2.818626 3.393635 1.095199 3.352467 2.606233 3.824339 3.264702 3.763172 4.315199 2.285816 0.000000 4.982810 5.375223 6.565212 5.435152 5.525641 5.070915 4.969199 7.335764 6.989437 3.093156 2.231814 3.333327 3.081632 1.100903 2.405855 3.011801 2.215791 4.263256 3.741250 2.728217 3.373125 0.000000 4.814961 5.555969 6.449258 5.289213 6.001234 5.282652 4.436665 7.277320 6.681620 3.164395 2.220060 2.858986 3.816188 1.100529 2.945164 2.380142 2.194505 3.889247 2.723961 3.497183 4.433858 1.771960 0.000000 5.116041 6.109612 6.937515 5.081751 6.272867 6.251224 5.049852 7.472779 7.455222 3.275935 3.449165 2.258807 3.364923 2.236386 4.275367 4.014007 1.100749 2.694353 2.681695 2.244980 4.273738 2.743907 2.462242 0.000000 4.673346 5.420504 6.324845 4.306496 5.158109 5.857689 5.140236 6.571974 7.148733 3.077665 4.028582 2.732232 2.229997 3.518813 4.541719 4.924006 2.200154 2.519137 3.772161 1.107095 3.005463 3.761507 4.352785 2.540462 0.000000 5.083539 5.497963 6.689536 5.073495 5.217512 5.626164 5.508838 7.132062 7.442931 3.202563 3.533266 3.353312 2.176059 2.823029 3.723616 4.581003 2.232718 3.687046 4.306187 1.102392 2.494155 2.549916 3.775784 2.716768 1.773378 0.000000 C10H16 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 0 120.107 AuxInfo=1/0/N:1;2;3;10;11;12;13;14;17;20;4;5;6;7;8;9;15;16;18;19;21;22;23;24;25;26/rA:26nC0C0C0H0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.881,-.0748,.5474;-2.6235,-.0546,-.7485;-3.6829,-.0392,.2693;-1.7827,-1.0124,1.0937;-2.5058,-.9639,-1.3495;-2.4838,.8531,-1.3467;-1.7613,.845,1.1231;-4.1905,-.9644,.5467;-4.167,.9002,.5424;.0893,-.0456,.0709;.4741,1.3076,-.5289;.9638,-.1057,1.3278;.5926,-1.0956,-.769;2.0304,1.2378,-.3211;.1962,1.4014,-1.5887;.0261,2.1549,.0198;2.2613,-.0585,.5124;.8399,-1.0343,1.9057;.8242,.7573,1.9979;2.0447,-1.3111,-.3768;.2681,-1.1944,-1.8103;2.5742,1.209,-1.2779;2.3962,2.1142,.235;3.2078,-.0536,1.0744;2.2478,-2.2359,.1969;2.6976,-1.3379,-1.2646; 2.8760243 0.8002557 0.7659625 -10.31622 -10.30398 -10.30121 -10.29948 -10.29724 -10.29413 -10.29210 -10.29149 -10.28411 -10.27263 -0.97337 -0.92468 -0.82446 -0.80096 -0.77587 -0.70778 -0.68296 -0.67659 -0.63105 -0.59102 -0.57963 -0.56283 -0.55880 -0.53058 -0.52072 -0.47987 -0.46952 -0.44646 -0.44334 -0.44077 -0.43423 -0.41871 -0.40965 -0.40533 -0.40032 -0.38204 -0.35992 -0.22272 0.03312 0.12827 0.14772 0.15825 0.15895 0.17980 0.18156 0.18837 0.19615 0.20538 0.21495 0.22678 0.23587 0.24127 0.25102 0.25259 0.26248 0.27880 0.27952 0.28769 0.30116 0.30598 0.31388 0.32886 0.36104 0.37136 0.39094 0.42668 0.47249 0.47960 0.50177 0.51915 0.52738 0.54685 0.55113 0.57579 0.59823 0.60763 0.62409 0.62871 0.65138 0.66661 0.67957 0.68611 0.69578 0.70787 0.72028 0.72795 0.73390 0.73880 0.74784 0.75300 0.75876 0.76173 0.76804 0.77092 0.77317 0.77678 0.78622 0.79046 0.80029 0.80996 0.81353 0.81631 0.83077 0.83453 0.85215 0.85529 0.87748 0.88899 0.91387 0.97127 0.98855 1.00448 1.02270 1.03481 1.06664 1.09018 1.13145 1.16219 1.23613 1.27025 1.30504 1.30758 1.34800 1.37130 1.40552 1.41539 1.43148 1.46042 1.48408 1.51307 1.59633 1.62342 1.64355 1.66527 1.67688 1.69900 1.71391 1.73233 1.74901 1.76108 1.77384 1.78728 1.79805 1.81176 1.82648 1.83419 1.84341 1.85201 1.85485 1.87235 1.89044 1.89456 1.90614 1.93615 1.94267 1.95583 1.95754 1.96696 1.98306 1.98913 2.00429 2.01203 2.02733 2.04186 2.07478 2.08956 2.10436 2.12043 2.13475 2.15612 2.16185 2.18802 2.19927 2.20480 2.22930 2.23600 2.26061 2.26868 2.30165 2.33638 2.34253 2.37966 2.39116 2.42028 2.43197 2.46330 2.47324 2.48981 2.49807 2.51135 2.51308 2.54876 2.62422 2.64374 2.67986 2.68320 2.71456 2.73166 2.77153 2.78009 2.80087 2.81057 2.87757 2.88601 2.92184 2.93119 2.94379 2.96452 3.00378 3.00712 3.02599 3.05143 3.07624 3.09432 3.10233 3.12697 3.15330 3.19346 3.20866 3.26142 -10.31783 -10.30349 -10.29719 -10.29553 -10.29498 -10.29169 -10.29124 -10.29105 -10.28433 -10.28230 -0.97307 -0.91742 -0.82811 -0.80081 -0.77872 -0.70308 -0.68257 -0.67462 -0.63185 -0.59719 -0.57731 -0.56034 -0.55166 -0.53554 -0.51699 -0.48160 -0.46695 -0.44829 -0.44213 -0.43840 -0.43454 -0.41908 -0.41262 -0.40800 -0.40221 -0.38149 -0.33409 -0.25393 0.03019 0.12895 0.14893 0.15795 0.15938 0.17934 0.18123 0.19022 0.19527 0.21446 0.22130 0.22746 0.23547 0.24057 0.25061 0.25344 0.26264 0.27997 0.28234 0.28731 0.30424 0.30750 0.31518 0.32769 0.36163 0.37118 0.39377 0.42461 0.47209 0.48077 0.50041 0.51802 0.52602 0.54578 0.55200 0.57584 0.59183 0.61003 0.62215 0.63370 0.65488 0.66813 0.68281 0.68508 0.68969 0.70639 0.72019 0.72695 0.73578 0.73895 0.75036 0.75282 0.75788 0.76042 0.77087 0.77294 0.77318 0.77630 0.78657 0.79152 0.79979 0.80923 0.81438 0.81589 0.82824 0.83375 0.85367 0.85420 0.87772 0.88955 0.91453 0.97063 0.98987 1.01038 1.02507 1.03254 1.06698 1.09484 1.13248 1.16342 1.23666 1.26993 1.30529 1.30737 1.35165 1.37750 1.40542 1.41538 1.43233 1.46371 1.47958 1.51043 1.59499 1.62309 1.64360 1.66569 1.67787 1.69977 1.71395 1.73294 1.75146 1.76846 1.77244 1.78785 1.79780 1.81256 1.82658 1.83505 1.84572 1.85308 1.85461 1.86934 1.89090 1.89810 1.90339 1.93680 1.94187 1.95587 1.95857 1.96642 1.97998 1.98890 2.00292 2.01302 2.02305 2.03726 2.07391 2.08782 2.10385 2.12111 2.13433 2.15760 2.15980 2.18603 2.20088 2.21281 2.22252 2.23384 2.26146 2.26817 2.29903 2.33299 2.33949 2.37715 2.39099 2.42288 2.43913 2.46280 2.47570 2.48632 2.50184 2.51280 2.51498 2.55184 2.62172 2.64421 2.67740 2.68659 2.71165 2.73296 2.77153 2.78189 2.79779 2.81394 2.87789 2.88800 2.92378 2.93264 2.94523 2.96540 3.00460 3.00784 3.02965 3.05087 3.07496 3.09579 3.10546 3.12626 3.15417 3.19356 3.20201 3.26510 1-A. -0.0505 0.5076 0.0158 0.5103 -64.2693 -63.3402 -63.0542 -0.0813 -0.1639 -0.0476 -0.7147 0.2144 0.5003 -0.0813 -0.1639 -0.0476 7.5534 2.8461 -4.1061 -4.9024 -0.8318 1.6355 2.2048 -0.0573 3.3227 0.2788 -1730.9403 -390.9846 -304.0315 0.3870 -15.5031 0.7176 -1.3190 2.5165 0.5053 -328.5795 -336.9756 -110.8594 0.8970 1.4999 -0.0936 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 120.107 AuxInfo=1/0/N:1;2;3;10;11;12;13;14;17;20;4;5;6;7;8;9;15;16;18;19;21;22;23;24;25;26/rA:26nC0C0C0H0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.881,-.0749,.5474;-2.6237,-.0546,-.7485;-3.683,-.0391,.2694;-1.7827,-1.0125,1.0936;-2.506,-.9637,-1.3495;-2.4839,.8532,-1.3466;-1.7614,.8449,1.1232;-4.1906,-.9644,.5467;-4.167,.9002,.5426;.0894,-.0457,.0708;.4741,1.3076,-.529;.9638,-.1057,1.3277;.5928,-1.0956,-.769;2.0304,1.2378,-.3211;.1963,1.4013,-1.5888;.0261,2.1548,.0197;2.2613,-.0585,.5125;.8399,-1.0343,1.9057;.8242,.7573,1.9979;2.0448,-1.3111,-.3767;.2683,-1.1944,-1.8104;2.5742,1.209,-1.2778;2.3961,2.1142,.235;3.2078,-.0535,1.0745;2.2479,-2.2359,.197;2.6977,-1.3379,-1.2645; 0.000000 1.493710 0.000000 1.823591 1.469151 0.000000 1.089542 2.240092 2.288615 0.000000 2.186103 1.096262 2.204821 2.548407 0.000000 2.193599 1.096028 2.201214 3.150684 1.817089 0.000000 1.091674 2.248444 2.280983 1.857715 3.152748 2.573261 0.000000 2.474964 2.227265 1.091196 2.469742 2.536534 3.130666 3.083337 0.000000 2.485281 2.227195 1.091486 3.105996 3.132683 2.530615 2.475353 1.864744 0.000000 2.027454 2.834069 3.777580 2.342070 3.097747 3.072278 2.307796 4.403296 4.385722 0.000000 2.935356 3.391094 4.442073 3.620532 3.835723 3.102347 2.817968 5.298907 4.780607 1.529417 0.000000 2.950079 4.145252 4.766222 2.901743 4.465789 4.467456 2.893452 5.283501 5.287145 1.532338 2.384259 0.000000 2.982357 3.380762 4.525056 3.019723 3.155382 3.687456 3.589940 4.962774 5.325335 1.435596 2.418043 2.348159 0.000000 4.216205 4.848998 5.883986 4.648030 5.146138 4.645237 4.076455 6.656081 6.266396 2.359732 1.571666 2.379327 2.777067 0.000000 3.325328 3.282956 4.536126 4.115563 3.598994 2.746372 3.390716 5.422366 4.881872 2.204462 1.099640 3.371433 2.657778 2.235572 0.000000 2.981101 3.534461 4.316561 3.802159 4.243975 3.140201 2.475586 5.271401 4.407913 2.202006 1.104329 2.774929 3.392378 2.230280 1.784405 0.000000 4.142545 5.045108 5.949287 4.195434 5.197462 5.177310 4.167873 6.515332 6.499537 2.216426 2.478924 1.533126 2.345613 1.558370 3.287987 3.183991 0.000000 3.188885 4.472226 4.911626 2.745522 4.668668 5.018732 3.303069 5.211324 5.538036 2.215271 3.397933 1.100746 2.686809 3.396789 4.307917 3.793364 2.216702 0.000000 3.180323 4.482066 4.892451 3.278020 5.025617 4.705077 2.730898 5.497101 5.201004 2.213191 2.609665 1.101520 3.338002 2.657674 3.697745 2.550114 2.222003 1.794015 0.000000 4.218352 4.848886 5.902767 4.111024 4.666533 5.112150 4.624374 6.312976 6.657480 2.371731 3.057403 2.350881 1.519468 2.549520 3.499028 4.030467 1.551290 2.595754 3.377382 0.000000 3.381159 3.284897 4.612247 3.559863 2.821749 3.461600 4.109011 5.048884 5.440254 2.211411 2.818521 3.393612 1.095199 3.352351 2.606112 3.824245 3.264639 3.763193 4.315160 2.285789 0.000000 4.982874 5.375374 6.565359 5.435166 5.525766 5.071078 4.969369 7.335918 6.989539 3.093141 2.231815 3.333322 3.081623 1.100902 2.405855 3.011801 2.215796 4.263256 3.741239 2.728231 3.372985 0.000000 4.814961 5.556000 6.449300 5.289209 6.001268 5.282650 4.436762 7.277386 6.681589 3.164385 2.220069 2.858982 3.816181 1.100530 2.945173 2.380152 2.194510 3.889244 2.723949 3.497195 4.433744 1.771963 0.000000 5.116068 6.109725 6.937609 5.081762 6.273049 6.251315 5.049929 7.472907 7.455217 3.275929 3.449184 2.258806 3.364926 2.236393 4.275383 4.014025 1.100750 2.694356 2.681692 2.244986 4.273681 2.743915 2.462247 0.000000 4.673436 5.420736 6.325045 4.306526 5.158435 5.857922 5.140355 6.572205 7.148858 3.077660 4.028598 2.732230 2.230009 3.518824 4.541736 4.924019 2.200157 2.519136 3.772159 1.107094 3.005489 3.761521 4.352795 2.540468 0.000000 5.083647 5.498227 6.689764 5.073521 5.217813 5.626457 5.509011 7.132303 7.443110 3.202549 3.533279 3.353309 2.176050 2.823045 3.723626 4.581015 2.232725 3.687046 4.306185 1.102393 2.494085 2.549937 3.775803 2.716782 1.773379 0.000000 C10H16 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 0 120.107 AuxInfo=1/0/N:1;2;3;10;11;12;13;14;17;20;4;5;6;7;8;9;15;16;18;19;21;22;23;24;25;26/rA:26nC0C0C0H0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.881,-.0749,.5474;-2.6237,-.0546,-.7485;-3.683,-.0392,.2694;-1.7827,-1.0125,1.0936;-2.5059,-.9638,-1.3495;-2.4839,.8532,-1.3466;-1.7614,.8449,1.1232;-4.1906,-.9644,.5467;-4.1671,.9001,.5426;.0894,-.0457,.0708;.4741,1.3076,-.529;.9638,-.1057,1.3277;.5928,-1.0956,-.769;2.0303,1.2378,-.3211;.1963,1.4013,-1.5888;.026,2.1548,.0197;2.2613,-.0585,.5125;.8399,-1.0343,1.9057;.8242,.7573,1.9979;2.0448,-1.311,-.3767;.2684,-1.1944,-1.8104;2.5742,1.2091,-1.2778;2.3961,2.1143,.235;3.2078,-.0535,1.0745;2.248,-2.2358,.197;2.6978,-1.3378,-1.2645; 2.8760332 0.8002186 0.7659294 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 120.107 AuxInfo=1/0/N:1;2;3;10;11;12;13;14;17;20;4;5;6;7;8;9;15;16;18;19;21;22;23;24;25;26/rA:26nC0C0C0H0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.881,-.0749,.5474;-2.6237,-.0546,-.7485;-3.683,-.0391,.2694;-1.7827,-1.0125,1.0936;-2.506,-.9637,-1.3495;-2.4839,.8532,-1.3466;-1.7614,.8449,1.1232;-4.1906,-.9644,.5467;-4.167,.9002,.5426;.0894,-.0457,.0708;.4741,1.3076,-.529;.9638,-.1057,1.3277;.5928,-1.0956,-.769;2.0304,1.2378,-.3211;.1963,1.4013,-1.5888;.0261,2.1548,.0197;2.2613,-.0585,.5125;.8399,-1.0343,1.9057;.8242,.7573,1.9979;2.0448,-1.3111,-.3767;.2683,-1.1944,-1.8104;2.5742,1.209,-1.2778;2.3961,2.1142,.235;3.2078,-.0535,1.0745;2.2479,-2.2359,.197;2.6977,-1.3379,-1.2645; 0.000000 1.493710 0.000000 1.823591 1.469151 0.000000 1.089542 2.240092 2.288615 0.000000 2.186103 1.096262 2.204821 2.548407 0.000000 2.193599 1.096028 2.201214 3.150684 1.817089 0.000000 1.091674 2.248444 2.280983 1.857715 3.152748 2.573261 0.000000 2.474964 2.227265 1.091196 2.469742 2.536534 3.130666 3.083337 0.000000 2.485281 2.227195 1.091486 3.105996 3.132683 2.530615 2.475353 1.864744 0.000000 2.027454 2.834069 3.777580 2.342070 3.097747 3.072278 2.307796 4.403296 4.385722 0.000000 2.935356 3.391094 4.442073 3.620532 3.835723 3.102347 2.817968 5.298907 4.780607 1.529417 0.000000 2.950079 4.145252 4.766222 2.901743 4.465789 4.467456 2.893452 5.283501 5.287145 1.532338 2.384259 0.000000 2.982357 3.380762 4.525056 3.019723 3.155382 3.687456 3.589940 4.962774 5.325335 1.435596 2.418043 2.348159 0.000000 4.216205 4.848998 5.883986 4.648030 5.146138 4.645237 4.076455 6.656081 6.266396 2.359732 1.571666 2.379327 2.777067 0.000000 3.325328 3.282956 4.536126 4.115563 3.598994 2.746372 3.390716 5.422366 4.881872 2.204462 1.099640 3.371433 2.657778 2.235572 0.000000 2.981101 3.534461 4.316561 3.802159 4.243975 3.140201 2.475586 5.271401 4.407913 2.202006 1.104329 2.774929 3.392378 2.230280 1.784405 0.000000 4.142545 5.045108 5.949287 4.195434 5.197462 5.177310 4.167873 6.515332 6.499537 2.216426 2.478924 1.533126 2.345613 1.558370 3.287987 3.183991 0.000000 3.188885 4.472226 4.911626 2.745522 4.668668 5.018732 3.303069 5.211324 5.538036 2.215271 3.397933 1.100746 2.686809 3.396789 4.307917 3.793364 2.216702 0.000000 3.180323 4.482066 4.892451 3.278020 5.025617 4.705077 2.730898 5.497101 5.201004 2.213191 2.609665 1.101520 3.338002 2.657674 3.697745 2.550114 2.222003 1.794015 0.000000 4.218352 4.848886 5.902767 4.111024 4.666533 5.112150 4.624374 6.312976 6.657480 2.371731 3.057403 2.350881 1.519468 2.549520 3.499028 4.030467 1.551290 2.595754 3.377382 0.000000 3.381159 3.284897 4.612247 3.559863 2.821749 3.461600 4.109011 5.048884 5.440254 2.211411 2.818521 3.393612 1.095199 3.352351 2.606112 3.824245 3.264639 3.763193 4.315160 2.285789 0.000000 4.982874 5.375374 6.565359 5.435166 5.525766 5.071078 4.969369 7.335918 6.989539 3.093141 2.231815 3.333322 3.081623 1.100902 2.405855 3.011801 2.215796 4.263256 3.741239 2.728231 3.372985 0.000000 4.814961 5.556000 6.449300 5.289209 6.001268 5.282650 4.436762 7.277386 6.681589 3.164385 2.220069 2.858982 3.816181 1.100530 2.945173 2.380152 2.194510 3.889244 2.723949 3.497195 4.433744 1.771963 0.000000 5.116068 6.109725 6.937609 5.081762 6.273049 6.251315 5.049929 7.472907 7.455217 3.275929 3.449184 2.258806 3.364926 2.236393 4.275383 4.014025 1.100750 2.694356 2.681692 2.244986 4.273681 2.743915 2.462247 0.000000 4.673436 5.420736 6.325045 4.306526 5.158435 5.857922 5.140355 6.572205 7.148858 3.077660 4.028598 2.732230 2.230009 3.518824 4.541736 4.924019 2.200157 2.519136 3.772159 1.107094 3.005489 3.761521 4.352795 2.540468 0.000000 5.083647 5.498227 6.689764 5.073521 5.217813 5.626457 5.509011 7.132303 7.443110 3.202549 3.533279 3.353309 2.176050 2.823045 3.723626 4.581015 2.232725 3.687046 4.306185 1.102393 2.494085 2.549937 3.775803 2.716782 1.773379 0.000000 C10H16 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 0 120.107 AuxInfo=1/0/N:1;2;3;10;11;12;13;14;17;20;4;5;6;7;8;9;15;16;18;19;21;22;23;24;25;26/rA:26nC0C0C0H0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.881,-.0749,.5474;-2.6237,-.0546,-.7485;-3.683,-.0392,.2694;-1.7827,-1.0125,1.0936;-2.5059,-.9638,-1.3495;-2.4839,.8532,-1.3466;-1.7614,.8449,1.1232;-4.1906,-.9644,.5467;-4.1671,.9001,.5426;.0894,-.0457,.0708;.4741,1.3076,-.529;.9638,-.1057,1.3277;.5928,-1.0956,-.769;2.0303,1.2378,-.3211;.1963,1.4013,-1.5888;.026,2.1548,.0197;2.2613,-.0585,.5125;.8399,-1.0343,1.9057;.8242,.7573,1.9979;2.0448,-1.311,-.3767;.2684,-1.1944,-1.8104;2.5742,1.2091,-1.2778;2.3961,2.1143,.235;3.2078,-.0535,1.0745;2.248,-2.2358,.197;2.6978,-1.3378,-1.2645; 2.8760332 0.8002186 0.7659294 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= 230 230 230 230 230 MxSgAt= 26 MxSgA2= 26. 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= 230 230 230 230 230 MxSgAt= 26 MxSgA2= 26. 1 0.7005 Using compressed storage, NAtomX= 26. Will process 27 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111 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. 7798 words used for storage of precomputed grid. Keep R1 and R2 ints in memory in canonical form, NReq=1200109596. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 24310 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 3221225472 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. There are 81 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 78 vectors produced by pass 0 Test12= 1.71D-14 1.23D-09 XBig12= 1.67D+02 5.63D+00. AX will form 78 AO Fock derivatives at one time. 78 vectors produced by pass 1 Test12= 1.71D-14 1.23D-09 XBig12= 1.13D+01 6.32D-01. 78 vectors produced by pass 2 Test12= 1.71D-14 1.23D-09 XBig12= 4.16D-01 1.37D-01. 78 vectors produced by pass 3 Test12= 1.71D-14 1.23D-09 XBig12= 6.62D-03 1.33D-02. 78 vectors produced by pass 4 Test12= 1.71D-14 1.23D-09 XBig12= 5.21D-05 6.04D-04. 78 vectors produced by pass 5 Test12= 1.71D-14 1.23D-09 XBig12= 5.12D-07 6.62D-05. 78 vectors produced by pass 6 Test12= 1.71D-14 1.23D-09 XBig12= 4.49D-09 5.66D-06. 36 vectors produced by pass 7 Test12= 1.71D-14 1.23D-09 XBig12= 2.92D-11 4.19D-07. 4 vectors produced by pass 8 Test12= 1.71D-14 1.23D-09 XBig12= 2.05D-13 3.20D-08. 2 vectors produced by pass 9 Test12= 1.71D-14 1.23D-09 XBig12= 1.55D-15 3.00D-09. InvSVY: IOpt=1 It= 1 EMax= 5.33D-15 Solved reduced A of dimension 588 with 81 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 122.09 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 176.057 -9.193 97.788 -7.816 3.283 92.415 158.252 -8.947 111.021 -7.857 4.791 107.890 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 C C C H H H H H H C C C C C H H C H H C H H H H H H 13 13 13 1 1 1 1 1 1 13 13 13 13 13 1 1 13 1 1 13 1 1 1 1 1 1 0.06787 0.00898 0.14820 0.01014 0.00083 0.00061 0.00974 -0.00527 -0.00519 0.31427 -0.08249 -0.00774 -0.21361 0.02883 0.00041 -0.00144 0.02097 0.00096 0.00020 0.05040 0.00797 -0.00032 0.00069 0.00052 -0.01628 -0.00620 38.14825 5.04782 83.30141 22.66929 1.84884 1.36860 21.76875 -11.78324 -11.59527 176.65107 -46.36604 -4.34850 -120.07128 16.20453 0.92150 -3.21202 11.78860 2.14431 0.45786 28.33048 17.80613 -0.71822 1.54824 1.16027 -36.39470 -13.86126 13.61224 1.80119 29.72401 8.08897 0.65971 0.48835 7.76763 -4.20455 -4.13748 63.03349 -16.54456 -1.55165 -42.84442 5.78218 0.32881 -1.14613 4.20646 0.76514 0.16338 10.10902 6.35367 -0.25628 0.55245 0.41401 -12.98653 -4.94604 12.72489 1.68377 27.78636 7.56166 0.61671 0.45651 7.26127 -3.93046 -3.86777 58.92445 -15.46605 -1.45050 -40.05147 5.40525 0.30738 -1.07142 3.93225 0.71526 0.15273 9.45003 5.93949 -0.23957 0.51644 0.38703 -12.13996 -4.62362 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 -0.165611 0.016443 0.162686 0.005440 -0.006452 -0.002386 0.008188 -0.005334 -0.005906 0.504033 0.022800 0.001896 0.167636 0.022824 0.005329 0.000540 0.022130 0.003814 0.001615 0.001258 0.028964 0.000924 0.001186 0.000612 -0.005751 -0.008482 0.085374 -0.034755 -0.257556 -0.007705 0.001617 -0.001231 -0.011118 0.019261 0.020146 -0.271348 -0.047924 -0.005219 -0.382598 -0.014138 -0.005102 0.002101 -0.017836 0.001374 -0.003439 -0.005593 0.018082 -0.004398 -0.000673 -0.000254 0.004526 0.004366 0.080237 0.018312 0.094870 0.002264 0.004835 0.003616 0.002930 -0.013927 -0.014240 -0.232685 0.025124 0.003322 0.214962 -0.008686 -0.000227 -0.002641 -0.004294 -0.005188 0.001823 0.004335 -0.047046 0.003474 -0.000514 -0.000358 0.001225 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 0.011396 0.000419 -0.003301 0.001335 -0.000660 0.004490 0.000691 0.025797 -0.024171 0.050353 -0.018257 -0.003954 -0.449418 0.001366 0.003800 0.004334 -0.003823 -0.002528 0.001785 -0.020078 -0.024525 -0.003174 0.000489 -0.001441 0.005106 0.000299 0.093085 0.049253 0.388836 0.007543 -0.003034 -0.001906 0.003141 0.008735 0.008994 -0.120812 0.002706 0.004603 0.214870 -0.000422 -0.002653 0.003104 -0.009863 0.001694 0.003307 0.001139 -0.028092 -0.001615 -0.000498 -0.002286 -0.007351 0.001234 -0.003845 -0.001314 -0.004172 0.000298 0.006185 -0.005206 -0.003915 -0.015541 0.014993 -0.017272 0.010627 -0.008193 0.418246 -0.004575 0.000408 -0.004709 -0.017761 -0.006003 0.000111 0.003714 0.007552 0.000280 0.000100 -0.001711 0.003560 -0.000842 0.9471 -0.0425 -0.3181 0.0405 0.9991 -0.0129 0.3184 -6.0E-4 0.948 -0.1974 0.0859 0.1115 -26.488 11.525 14.963 -9.452 4.112 5.339 -8.835 3.844 4.991 1 C 13 -0.2418 0.9387 0.2456 0.6717 0.3446 -0.6559 0.7003 -0.0064 0.7138 -0.0352 -0.0314 0.0666 -4.724 -4.219 8.943 -1.686 -1.505 3.191 -1.576 -1.407 2.983 2 C 13 -0.6609 0.2011 0.723 0.1408 0.9795 -0.1438 0.7372 -0.0068 0.6757 -0.2617 -0.2574 0.5191 -35.119 -34.543 69.662 -12.531 -12.326 24.857 -11.714 -11.522 23.237 3 C 13 -0.1426 0.9868 0.0771 -0.6137 -0.1493 0.7753 0.7765 0.0633 0.6269 -0.0079 -0.0038 0.0116 -4.201 -2.008 6.21 -1.499 -0.717 2.216 -1.401 -0.67 2.071 4 H 1 0.941 -0.1426 0.3069 0.2936 0.7951 -0.5307 -0.1684 0.5895 0.7901 -0.0073 -0.0028 0.0101 -3.917 -1.47 5.387 -1.398 -0.524 1.922 -1.307 -0.49 1.797 5 H 1 -0.6306 0.7346 0.2503 0.6863 0.3772 0.6219 -0.3624 -0.564 0.742 -0.0069 -0.0016 0.0085 -3.66 -0.878 4.538 -1.306 -0.313 1.619 -1.221 -0.293 1.514 6 H 1 -0.073 0.9619 0.2633 -0.4425 -0.2679 0.8558 0.8938 -0.054 0.4453 -0.0122 0.0025 0.0097 -6.532 1.351 5.181 -2.331 0.482 1.849 -2.179 0.45 1.728 7 H 1 -0.6146 0.478 0.6276 0.6227 -0.1945 0.7579 0.4843 0.8566 -0.1781 -0.0343 -0.0028 0.0371 -18.31 -1.474 19.783 -6.533 -0.526 7.059 -6.107 -0.492 6.599 8 H 1 -0.6126 -0.457 0.6449 0.6409 0.1904 0.7437 -0.4627 0.8688 0.1763 -0.0334 -0.0027 0.0361 -17.825 -1.414 19.239 -6.36 -0.505 6.865 -5.946 -0.472 6.418 9 H 1 -0.0088 0.9419 0.3358 0.171 -0.3295 0.9285 0.9852 0.0656 -0.1582 -0.278 -0.2488 0.5268 -37.302 -33.388 70.69 -13.31 -11.914 25.224 -12.442 -11.137 23.58 10 C 13 0.234 0.9625 -0.1375 -0.1556 0.1767 0.9719 0.9597 -0.206 0.1911 -0.0539 0.0266 0.0273 -7.23 3.573 3.658 -2.58 1.275 1.305 -2.412 1.192 1.22 11 C 13 0.0965 0.8668 0.4893 0.8515 0.1827 -0.4914 0.5153 -0.4641 0.7205 -0.0103 -0.0016 0.0119 -1.38 -0.216 1.596 -0.492 -0.077 0.569 -0.46 -0.072 0.532 12 C 13 0.442 0.7999 -0.4059 0.789 -0.1313 0.6002 -0.4268 0.5855 0.6892 -0.8431 0.4059 0.4372 -113.143 54.468 58.675 -40.372 19.436 20.937 -37.74 18.169 19.572 13 C 13 -0.0248 0.8704 0.4918 0.0358 -0.4908 0.8705 0.999 0.0392 -0.019 -0.0168 -0.0061 0.0229 -2.249 -0.822 3.071 -0.803 -0.293 1.096 -0.75 -0.274 1.024 14 C 13 -0.3378 0.9197 -0.2 0.2275 0.286 0.9308 0.9133 0.269 -0.3058 -0.0066 -8.0E-4 0.0073 -3.514 -0.4 3.915 -1.254 -0.143 1.397 -1.172 -0.134 1.306 15 H 1 -0.4957 0.5189 0.6964 0.7186 -0.2053 0.6644 0.4878 0.8298 -0.2711 -0.0084 0.0022 0.0062 -4.46 1.158 3.302 -1.591 0.413 1.178 -1.488 0.386 1.101 16 H 1 0.1635 0.7982 0.5798 0.3093 -0.5996 0.7381 0.9368 0.0587 -0.3449 -0.0315 0.006 0.0255 -4.23 0.805 3.425 -1.509 0.287 1.222 -1.411 0.269 1.142 17 C 13 -0.0141 0.5073 0.8616 0.7683 0.557 -0.3154 -0.6399 0.6576 -0.3977 -0.0088 0.0013 0.0075 -4.669 0.686 3.983 -1.666 0.245 1.421 -1.557 0.229 1.328 18 H 1 -0.3894 0.8996 0.1976 -0.5905 -0.4085 0.696 0.7069 0.1543 0.6903 -0.0042 -0.001 0.0052 -2.234 -0.559 2.793 -0.797 -0.199 0.997 -0.745 -0.186 0.932 19 H 1 0.6358 0.7609 -0.1299 0.1682 0.0276 0.9854 0.7533 -0.6483 -0.1104 -0.023 0.0046 0.0184 -3.087 0.622 2.465 -1.101 0.222 0.88 -1.03 0.207 0.822 20 C 13 0.3148 0.0074 0.9491 0.5328 0.8262 -0.1832 0.7855 -0.5633 -0.2561 -0.0563 6.0E-4 0.0557 -30.042 0.316 29.726 -10.72 0.113 10.607 -10.021 0.105 9.915 21 H 1 0.4305 0.9014 0.0473 0.7231 -0.3757 0.5796 -0.5402 0.2154 0.8135 -0.0059 0.0013 0.0046 -3.147 0.682 2.465 -1.123 0.243 0.88 -1.05 0.228 0.822 22 H 1 -0.3076 0.7786 -0.547 0.0667 0.5911 0.8039 0.9492 0.2108 -0.2338 -9.0E-4 -5.0E-4 0.0014 -0.5 -0.257 0.756 -0.178 -0.092 0.27 -0.167 -0.086 0.252 23 H 1 0.5297 0.5475 0.6479 -0.3226 0.8364 -0.4431 0.7845 -0.0257 -0.6196 -0.0037 0.0012 0.0025 -1.96 0.644 1.315 -0.699 0.23 0.469 -0.654 0.215 0.439 24 H 1 0.7919 -0.3404 0.5069 -0.595 -0.2435 0.766 0.1373 0.9082 0.3954 -0.0127 0.0058 0.0068 -6.75 3.096 3.654 -2.409 1.105 1.304 -2.252 1.033 1.219 25 H 1 -1.98578361e-02 1.99686058e-01 6.20057915e-03 1.76057339e+02 -9.19294389e+00 9.77876004e+01 -7.81587513e+00 3.28273544e+00 9.24152425e+01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 6 6 6 1 1 1 1 1 1 6 6 6 6 6 1 1 6 1 1 6 1 1 1 1 1 1 0.000006819 0.000007488 -0.000001700 -0.000006637 -0.000012887 0.000014806 -0.000002986 0.000006009 -0.000004848 0.000003065 -0.000000116 -0.000002208 0.000001669 0.000002183 -0.000004986 0.000000411 -0.000001199 0.000000331 -0.000011394 0.000000438 0.000000142 -0.000000739 -0.000000342 -0.000001160 0.000001265 -0.000001407 -0.000000878 0.000008210 -0.000006118 -0.000004152 -0.000003861 0.000000719 -0.000003271 0.000000054 -0.000000106 -0.000000365 0.000001796 -0.000001866 0.000004810 0.000000792 0.000001895 0.000000193 -0.000000103 -0.000000041 -0.000000990 -0.000000411 0.000000005 -0.000001057 -0.000000599 -0.000000627 0.000002110 -0.000000073 0.000001276 0.000000728 -0.000000429 0.000001164 -0.000000356 -0.000000248 -0.000000990 -0.000000137 0.000002894 0.000001766 0.000000433 -0.000000770 -0.000000186 0.000000113 -0.000000286 0.000001009 -0.000000212 0.000000179 0.000001005 0.000001189 0.000000929 0.000000803 0.000001211 0.000000453 0.000000127 0.000000255 0.000014806 0.000003584 (Enter /u/local/apps/gaussian/G16_C02/g16_avx2/l716.exe) open 1 1 1 -390.012737548048 -390.049539130503 -0.036801582455 -390.094720055630 -0.045180925127 -390.099741679174 -0.005021623545 -390.101111098728 -0.001369419553 -390.101444515994 -0.000333417266 -390.101557356945 -0.000112840951 -390.101597482485 -0.000040125540 -390.101616727270 -0.000019244785 -390.101625187502 -0.000008460232 -390.101626249834 -0.000001062333 -390.101626430814 -0.000000180980 -390.101626450560 -0.000000019746 -390.101626452982 -0.000000002422 -390.101626453983 -0.000000001001 -390.101626454287 -0.000000000304 -390.101626454327 -0.000000000040 -390.101626454329 -0.000000000002 -390.101626454 18 0.7004 3.852215363884e+02 -1.989096980021e+03 6.695321253610e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 3221225472 LenX= 3221113582 LenY= 3221060241 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7004 Using compressed storage, NAtomX= 26. Will process 27 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111 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. 7798 words used for storage of precomputed grid. Keep R1 and R2 ints in memory in canonical form, NReq=1200109596. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 24310 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 3221225472 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. There are 81 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 78 vectors produced by pass 0 Test12= 1.71D-14 1.23D-09 XBig12= 1.67D+02 5.63D+00. AX will form 78 AO Fock derivatives at one time. 78 vectors produced by pass 1 Test12= 1.71D-14 1.23D-09 XBig12= 1.13D+01 6.32D-01. 78 vectors produced by pass 2 Test12= 1.71D-14 1.23D-09 XBig12= 4.16D-01 1.37D-01. 78 vectors produced by pass 3 Test12= 1.71D-14 1.23D-09 XBig12= 6.62D-03 1.34D-02. 78 vectors produced by pass 4 Test12= 1.71D-14 1.23D-09 XBig12= 5.21D-05 6.04D-04. 78 vectors produced by pass 5 Test12= 1.71D-14 1.23D-09 XBig12= 5.13D-07 6.62D-05. 78 vectors produced by pass 6 Test12= 1.71D-14 1.23D-09 XBig12= 4.49D-09 5.65D-06. 36 vectors produced by pass 7 Test12= 1.71D-14 1.23D-09 XBig12= 2.92D-11 4.19D-07. 4 vectors produced by pass 8 Test12= 1.71D-14 1.23D-09 XBig12= 2.05D-13 3.20D-08. 2 vectors produced by pass 9 Test12= 1.71D-14 1.23D-09 XBig12= 1.55D-15 3.00D-09. InvSVY: IOpt=1 It= 1 EMax= 3.55D-15 Solved reduced A of dimension 588 with 81 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 122.09 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 176.067 -9.194 97.788 -7.818 3.283 92.416 158.261 -8.950 111.022 -7.859 4.792 107.890 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 C C C H H H H H H C C C C C H H C H H C H H H H H H 13 13 13 1 1 1 1 1 1 13 13 13 13 13 1 1 13 1 1 13 1 1 1 1 1 1 0.06788 0.00897 0.14817 0.01014 0.00083 0.00061 0.00974 -0.00527 -0.00519 0.31423 -0.08248 -0.00773 -0.21362 0.02883 0.00041 -0.00144 0.02097 0.00096 0.00021 0.05040 0.00797 -0.00032 0.00069 0.00052 -0.01628 -0.00620 38.15244 5.04239 83.28440 22.66491 1.84970 1.36953 21.76089 -11.78485 -11.59700 176.62479 -46.36204 -4.34737 -120.07471 16.20526 0.92149 -3.21091 11.78675 2.14437 0.45818 28.32863 17.80180 -0.71827 1.54830 1.15960 -36.39051 -13.85770 13.61374 1.79925 29.71794 8.08740 0.66002 0.48868 7.76483 -4.20513 -4.13810 63.02412 -16.54313 -1.55125 -42.84564 5.78244 0.32881 -1.14573 4.20580 0.76516 0.16349 10.10836 6.35213 -0.25630 0.55247 0.41377 -12.98504 -4.94477 12.72628 1.68196 27.78068 7.56020 0.61699 0.45682 7.25865 -3.93100 -3.86834 58.91569 -15.46471 -1.45013 -40.05261 5.40549 0.30738 -1.07104 3.93164 0.71528 0.15283 9.44941 5.93804 -0.23959 0.51646 0.38680 -12.13857 -4.62243 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 -0.165640 0.016437 0.162709 0.005441 -0.006449 -0.002384 0.008189 -0.005333 -0.005910 0.504021 0.022799 0.001897 0.167607 0.022826 0.005328 0.000539 0.022133 0.003813 0.001614 0.001259 0.028969 0.000924 0.001186 0.000612 -0.005750 -0.008482 0.085395 -0.034741 -0.257562 -0.007707 0.001614 -0.001230 -0.011119 0.019262 0.020147 -0.271337 -0.047921 -0.005220 -0.382640 -0.014139 -0.005101 0.002101 -0.017839 0.001373 -0.003438 -0.005594 0.018080 -0.004398 -0.000673 -0.000254 0.004526 0.004366 0.080245 0.018304 0.094852 0.002266 0.004835 0.003614 0.002930 -0.013929 -0.014237 -0.232684 0.025122 0.003323 0.215033 -0.008687 -0.000227 -0.002640 -0.004294 -0.005187 0.001824 0.004335 -0.047049 0.003474 -0.000514 -0.000358 0.001224 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 0.011368 0.000409 -0.003353 0.001335 -0.000659 0.004490 0.000693 0.025797 -0.024170 0.050398 -0.018252 -0.003952 -0.449424 0.001369 0.003800 0.004334 -0.003821 -0.002527 0.001785 -0.020079 -0.024520 -0.003173 0.000489 -0.001440 0.005105 0.000298 0.093111 0.049231 0.388847 0.007542 -0.003035 -0.001907 0.003143 0.008736 0.008993 -0.120779 0.002706 0.004604 0.214813 -0.000419 -0.002653 0.003104 -0.009860 0.001695 0.003306 0.001138 -0.028083 -0.001615 -0.000498 -0.002286 -0.007352 0.001234 -0.003837 -0.001321 -0.004219 0.000300 0.006183 -0.005205 -0.003919 -0.015542 0.014999 -0.017279 0.010628 -0.008192 0.418147 -0.004575 0.000408 -0.004708 -0.017763 -0.006003 0.000111 0.003713 0.007553 0.000280 0.000101 -0.001711 0.003559 -0.000842 0.9471 -0.0424 -0.3182 0.0404 0.9991 -0.0129 0.3184 -7.0E-4 0.9479 -0.1974 0.0859 0.1115 -26.493 11.527 14.966 -9.453 4.113 5.34 -8.837 3.845 4.992 1 C 13 -0.2413 0.939 0.2452 0.6718 0.344 -0.656 0.7003 -0.0065 0.7138 -0.0352 -0.0314 0.0666 -4.722 -4.217 8.939 -1.685 -1.505 3.19 -1.575 -1.407 2.982 2 C 13 -0.6609 0.2009 0.7231 0.1407 0.9796 -0.1436 0.7372 -0.0069 0.6757 -0.2617 -0.2574 0.5191 -35.12 -34.544 69.664 -12.532 -12.326 24.858 -11.715 -11.523 23.237 3 C 13 -0.1423 0.9869 0.0766 -0.6138 -0.1487 0.7753 0.7765 0.0633 0.6269 -0.0079 -0.0038 0.0116 -4.203 -2.007 6.21 -1.5 -0.716 2.216 -1.402 -0.67 2.071 4 H 1 0.9409 -0.1427 0.307 0.2937 0.7952 -0.5305 -0.1684 0.5893 0.7901 -0.0073 -0.0028 0.0101 -3.916 -1.469 5.385 -1.397 -0.524 1.922 -1.306 -0.49 1.796 5 H 1 -0.6306 0.7347 0.2503 0.6862 0.3771 0.622 -0.3626 -0.564 0.7419 -0.0069 -0.0016 0.0085 -3.659 -0.878 4.537 -1.306 -0.313 1.619 -1.221 -0.293 1.513 6 H 1 -0.0731 0.9619 0.2635 -0.4426 -0.2681 0.8557 0.8937 -0.0541 0.4453 -0.0122 0.0025 0.0097 -6.533 1.351 5.183 -2.331 0.482 1.849 -2.179 0.451 1.729 7 H 1 -0.6145 0.4779 0.6276 0.6227 -0.1946 0.7579 0.4843 0.8566 -0.178 -0.0343 -0.0028 0.0371 -18.31 -1.473 19.784 -6.534 -0.526 7.059 -6.108 -0.491 6.599 8 H 1 -0.6126 -0.4571 0.6449 0.6409 0.1902 0.7437 -0.4626 0.8689 0.1764 -0.0334 -0.0026 0.0361 -17.826 -1.414 19.24 -6.361 -0.504 6.865 -5.946 -0.472 6.418 9 H 1 -0.0088 0.9419 0.3358 0.171 -0.3294 0.9286 0.9852 0.0656 -0.1582 -0.278 -0.2488 0.5268 -37.301 -33.387 70.687 -13.31 -11.913 25.223 -12.442 -11.137 23.579 10 C 13 0.234 0.9625 -0.1375 -0.156 0.1768 0.9718 0.9596 -0.2059 0.1915 -0.0539 0.0266 0.0273 -7.23 3.572 3.657 -2.58 1.275 1.305 -2.412 1.192 1.22 11 C 13 0.0963 0.8668 0.4893 0.8515 0.1828 -0.4914 0.5154 -0.464 0.7205 -0.0103 -0.0016 0.0119 -1.38 -0.216 1.596 -0.492 -0.077 0.569 -0.46 -0.072 0.532 12 C 13 0.442 0.8 -0.4059 0.7889 -0.1313 0.6003 -0.4269 0.5855 0.6892 -0.8431 0.4059 0.4372 -113.134 54.464 58.671 -40.369 19.434 20.935 -37.738 18.167 19.57 13 C 13 -0.0249 0.8704 0.4918 0.0358 -0.4908 0.8705 0.999 0.0393 -0.019 -0.0168 -0.0061 0.0229 -2.249 -0.822 3.071 -0.803 -0.293 1.096 -0.75 -0.274 1.024 14 C 13 -0.3379 0.9197 -0.2 0.2274 0.286 0.9308 0.9133 0.269 -0.3058 -0.0066 -8.0E-4 0.0073 -3.514 -0.4 3.914 -1.254 -0.143 1.397 -1.172 -0.133 1.306 15 H 1 -0.4957 0.5189 0.6964 0.7186 -0.2052 0.6644 0.4877 0.8298 -0.2712 -0.0084 0.0022 0.0062 -4.459 1.158 3.301 -1.591 0.413 1.178 -1.487 0.386 1.101 16 H 1 0.1634 0.7982 0.5798 0.3092 -0.5995 0.7382 0.9368 0.0587 -0.3448 -0.0315 0.006 0.0255 -4.23 0.805 3.425 -1.509 0.287 1.222 -1.411 0.269 1.142 17 C 13 -0.0142 0.5074 0.8616 0.7683 0.557 -0.3153 -0.6399 0.6575 -0.3977 -0.0087 0.0013 0.0075 -4.668 0.686 3.982 -1.666 0.245 1.421 -1.557 0.229 1.328 18 H 1 -0.3895 0.8996 0.1976 -0.5906 -0.4085 0.696 0.7068 0.1544 0.6904 -0.0042 -0.001 0.0052 -2.234 -0.559 2.792 -0.797 -0.199 0.996 -0.745 -0.186 0.931 19 H 1 0.6358 0.7609 -0.1298 0.1681 0.0276 0.9854 0.7534 -0.6483 -0.1104 -0.023 0.0046 0.0184 -3.087 0.622 2.465 -1.101 0.222 0.88 -1.03 0.207 0.822 20 C 13 0.3147 0.0074 0.9492 0.5328 0.8262 -0.1831 0.7855 -0.5633 -0.2561 -0.0563 6.0E-4 0.0557 -30.04 0.317 29.723 -10.719 0.113 10.606 -10.02 0.106 9.915 21 H 1 0.4304 0.9014 0.0473 0.7231 -0.3757 0.5797 -0.5403 0.2153 0.8135 -0.0059 0.0013 0.0046 -3.147 0.682 2.465 -1.123 0.243 0.88 -1.05 0.227 0.822 22 H 1 -0.3076 0.7784 -0.5472 0.0665 0.5913 0.8037 0.9492 0.2109 -0.2337 -9.0E-4 -5.0E-4 0.0014 -0.5 -0.257 0.756 -0.178 -0.092 0.27 -0.167 -0.086 0.252 23 H 1 0.5296 0.5475 0.6479 -0.3227 0.8364 -0.443 0.7844 -0.0255 -0.6197 -0.0037 0.0012 0.0025 -1.96 0.644 1.315 -0.699 0.23 0.469 -0.654 0.215 0.439 24 H 1 0.7919 -0.3404 0.5069 -0.595 -0.2434 0.766 0.1374 0.9082 0.3952 -0.0127 0.0058 0.0068 -6.75 3.096 3.653 -2.408 1.105 1.304 -2.251 1.033 1.219 25 H 1 (Enter /u/local/apps/gaussian/G16_C02/g16_avx2/l716.exe) Rotating derivatives to standard orientation. PT5036.600S 2025-06-18T20:30:49.000 -10.31621 -10.30397 -10.30121 -10.29949 -10.29724 -10.29413 -10.29210 -10.29149 -10.28411 -10.27263 -0.97337 -0.92468 -0.82446 -0.80096 -0.77587 -0.70778 -0.68296 -0.67659 -0.63105 -0.59102 -0.57963 -0.56283 -0.55880 -0.53058 -0.52071 -0.47987 -0.46952 -0.44645 -0.44334 -0.44077 -0.43423 -0.41871 -0.40965 -0.40533 -0.40032 -0.38204 -0.35991 -0.22273 0.03311 0.12827 0.14772 0.15825 0.15894 0.17980 0.18156 0.18837 0.19615 0.20537 0.21495 0.22678 0.23587 0.24127 0.25102 0.25259 0.26248 0.27879 0.27952 0.28769 0.30116 0.30598 0.31388 0.32886 0.36104 0.37137 0.39094 0.42668 0.47249 0.47960 0.50177 0.51914 0.52738 0.54685 0.55113 0.57579 0.59823 0.60763 0.62409 0.62871 0.65137 0.66660 0.67959 0.68611 0.69577 0.70787 0.72028 0.72795 0.73390 0.73880 0.74784 0.75300 0.75876 0.76174 0.76804 0.77091 0.77317 0.77678 0.78622 0.79046 0.80028 0.80995 0.81353 0.81631 0.83078 0.83453 0.85215 0.85529 0.87749 0.88898 0.91385 0.97129 0.98854 1.00448 1.02272 1.03479 1.06664 1.09016 1.13144 1.16217 1.23613 1.27024 1.30504 1.30757 1.34800 1.37129 1.40552 1.41538 1.43147 1.46040 1.48407 1.51305 1.59630 1.62342 1.64355 1.66528 1.67688 1.69900 1.71390 1.73233 1.74901 1.76109 1.77384 1.78728 1.79807 1.81176 1.82648 1.83420 1.84339 1.85201 1.85485 1.87235 1.89044 1.89456 1.90615 1.93615 1.94268 1.95583 1.95754 1.96695 1.98306 1.98912 2.00428 2.01202 2.02732 2.04184 2.07479 2.08955 2.10435 2.12042 2.13474 2.15611 2.16185 2.18802 2.19928 2.20479 2.22932 2.23600 2.26060 2.26867 2.30165 2.33638 2.34252 2.37964 2.39116 2.42028 2.43197 2.46331 2.47325 2.48981 2.49806 2.51134 2.51310 2.54876 2.62422 2.64373 2.67986 2.68321 2.71456 2.73165 2.77152 2.78009 2.80087 2.81056 2.87756 2.88600 2.92184 2.93120 2.94380 2.96452 3.00378 3.00712 3.02598 3.05142 3.07624 3.09433 3.10232 3.12696 3.15330 3.19346 3.20865 3.26143 -10.31783 -10.30348 -10.29719 -10.29553 -10.29498 -10.29169 -10.29124 -10.29105 -10.28433 -10.28230 -0.97307 -0.91741 -0.82811 -0.80081 -0.77872 -0.70308 -0.68257 -0.67462 -0.63185 -0.59719 -0.57730 -0.56034 -0.55166 -0.53554 -0.51699 -0.48161 -0.46695 -0.44829 -0.44213 -0.43841 -0.43454 -0.41909 -0.41262 -0.40800 -0.40221 -0.38149 -0.33409 -0.25393 0.03018 0.12895 0.14892 0.15795 0.15939 0.17934 0.18123 0.19022 0.19527 0.21446 0.22128 0.22746 0.23547 0.24057 0.25061 0.25344 0.26264 0.27997 0.28233 0.28730 0.30423 0.30750 0.31518 0.32769 0.36163 0.37118 0.39377 0.42461 0.47209 0.48077 0.50041 0.51802 0.52602 0.54578 0.55199 0.57584 0.59182 0.61003 0.62214 0.63370 0.65488 0.66813 0.68282 0.68508 0.68968 0.70639 0.72019 0.72695 0.73578 0.73895 0.75036 0.75282 0.75788 0.76042 0.77087 0.77294 0.77318 0.77630 0.78657 0.79152 0.79978 0.80922 0.81438 0.81588 0.82824 0.83375 0.85367 0.85420 0.87773 0.88954 0.91451 0.97064 0.98985 1.01039 1.02508 1.03253 1.06697 1.09483 1.13248 1.16339 1.23666 1.26993 1.30529 1.30736 1.35165 1.37749 1.40542 1.41537 1.43232 1.46369 1.47957 1.51041 1.59497 1.62309 1.64360 1.66570 1.67787 1.69977 1.71395 1.73294 1.75146 1.76847 1.77243 1.78785 1.79782 1.81256 1.82658 1.83505 1.84569 1.85308 1.85460 1.86934 1.89090 1.89810 1.90339 1.93681 1.94187 1.95588 1.95857 1.96642 1.97998 1.98889 2.00291 2.01301 2.02304 2.03725 2.07392 2.08781 2.10384 2.12110 2.13433 2.15760 2.15980 2.18603 2.20089 2.21280 2.22254 2.23385 2.26145 2.26816 2.29903 2.33298 2.33948 2.37714 2.39099 2.42287 2.43913 2.46281 2.47570 2.48632 2.50183 2.51282 2.51497 2.55183 2.62172 2.64420 2.67740 2.68659 2.71165 2.73294 2.77152 2.78190 2.79780 2.81393 2.87788 2.88799 2.92378 2.93265 2.94523 2.96540 3.00460 3.00784 3.02964 3.05086 3.07497 3.09580 3.10545 3.12626 3.15417 3.19356 3.20199 3.26510 1-A. -1.98536476e-02 1.99736662e-01 6.22145746e-03 1.76066993e+02 -9.19439338e+00 9.77878428e+01 -7.81832662e+00 3.28287218e+00 9.24161916e+01 -1137.9266 -10.7372 -5.5930 -2.1523 -0.0003 -0.0001 0.0003 44.8702 104.6106 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -1137.9266 44.8309 104.6039 113.1362 198.3318 219.3626 260.9930 284.2599 360.0510 411.7875 486.6236 572.7949 649.0850 679.7784 716.4191 763.1939 782.2296 803.4865 819.2389 829.9429 830.4988 882.2277 916.4898 925.8527 951.6112 969.5170 974.7948 987.3568 1001.4958 1040.6872 1045.6512 1054.0925 1079.3219 1120.0111 1132.6122 1160.5923 1172.0239 1178.3139 1196.6511 1216.2272 1221.5040 1239.6156 1244.5203 1268.0234 1279.4276 1313.8599 1322.2414 1328.7399 1362.1414 1419.8209 1438.5647 1453.5676 1465.6158 1476.4387 1492.8801 1498.5214 3013.8785 3038.9635 3069.4315 3074.0569 3091.0449 3104.9712 3111.2996 3123.2152 3134.3761 3138.1456 3161.7607 3168.4562 3177.1360 3197.4044 3284.2499 3290.1802 8.0686 2.2453 3.1635 2.4300 4.4175 2.0369 2.2847 3.1758 1.7943 2.1601 1.8117 3.5306 1.6298 1.0750 2.7239 1.0710 4.3098 1.1876 1.5028 1.1054 2.1884 2.5260 1.7564 2.3320 1.7164 2.0409 1.9337 1.8753 1.8704 1.9525 1.5319 1.1801 1.1774 1.3405 1.1120 1.6155 1.7309 1.5651 1.4680 1.9821 1.1975 1.4919 1.5485 1.5828 1.6675 1.6397 1.6136 1.6809 2.0646 1.1715 1.1052 1.0941 1.0886 1.1102 1.3554 1.1158 1.0679 1.0662 1.0603 1.0630 1.0977 1.0888 1.0588 1.1036 1.1092 1.1069 1.0530 1.0548 1.0897 1.1162 1.1235 1.1205 6.1557 0.0027 0.0204 0.0183 0.1024 0.0577 0.0917 0.1512 0.1371 0.2158 0.2528 0.6825 0.4046 0.2927 0.8237 0.3676 1.5537 0.4517 0.5943 0.4486 0.8893 1.1583 0.8692 1.1778 0.9158 1.1303 1.0826 1.0771 1.1053 1.2459 0.9869 0.7725 0.8081 0.9908 0.8405 1.2821 1.4009 1.2803 1.2385 1.7274 1.0527 1.3507 1.4131 1.4995 1.6082 1.6677 1.6622 1.7486 2.2570 1.3914 1.3475 1.3620 1.3777 1.4258 1.7798 1.4762 5.7150 5.8016 5.8857 5.9185 6.1793 6.1847 6.0388 6.3425 6.4204 6.4224 6.2022 6.2389 6.4807 6.7232 7.1399 7.1467 8.8020 0.0298 0.1036 0.0373 3.0664 0.2733 1.5023 0.8689 0.3891 0.4965 0.1740 1.6482 43.5031 0.5883 18.0233 2.0126 7.0114 41.6069 5.1331 0.1382 5.6241 11.2250 4.4287 1.2662 4.1860 3.8533 28.6545 24.2144 20.6104 8.9590 2.2414 0.2723 0.1724 1.4085 1.7005 1.3135 2.6056 0.0887 5.3384 15.8098 0.8628 2.7977 1.9495 6.4763 2.5035 4.1443 0.2991 8.9795 2.0410 3.1820 8.1016 1.8462 2.5564 4.6345 0.3386 0.5919 67.6752 31.0355 28.9068 34.4316 20.7029 88.1817 11.7270 3.3528 15.8809 37.7077 1.5454 2.9355 18.9617 5.1612 0.9043 3.8879 0.64 -0.01 -0.15 -0.03 0.00 0.12 -0.26 0.00 -0.11 -0.31 0.03 0.14 -0.04 0.01 0.08 -0.03 -0.01 0.09 -0.34 -0.04 0.15 -0.07 -0.03 0.08 -0.07 0.04 0.07 -0.29 0.04 0.13 0.04 -0.02 0.01 -0.02 0.00 -0.00 0.01 -0.05 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.03 -0.02 -0.01 -0.01 0.01 -0.00 0.01 0.00 0.01 0.02 -0.00 0.02 0.00 0.04 -0.03 -0.09 -0.18 0.03 0.02 -0.00 0.01 0.01 -0.00 -0.01 -0.02 -0.03 -0.00 -0.10 0.03 -0.01 0.07 0.00 0.02 0.00 -0.13 -0.01 -0.01 0.22 0.00 0.00 0.03 0.01 -0.04 -0.27 -0.23 -0.07 0.37 -0.22 0.04 0.36 0.23 0.05 -0.27 0.21 -0.05 -0.01 -0.21 0.06 -0.01 0.25 0.00 -0.07 -0.01 -0.06 -0.07 -0.05 -0.00 0.01 0.00 0.06 -0.08 0.03 -0.06 0.01 -0.04 -0.06 -0.13 -0.06 -0.11 -0.08 -0.08 0.00 0.05 0.01 0.04 0.03 0.03 -0.05 0.03 -0.03 0.07 0.01 0.05 0.07 -0.14 0.04 -0.05 0.01 -0.03 -0.11 0.05 -0.07 -0.00 0.12 0.01 0.12 0.04 0.08 0.07 0.02 0.05 0.04 0.01 -0.07 -0.16 0.00 0.04 -0.01 -0.04 0.19 0.11 0.01 -0.08 -0.22 0.01 0.01 -0.27 0.01 0.03 0.08 0.01 -0.09 0.07 -0.06 0.27 0.01 -0.06 0.28 0.01 0.02 -0.16 0.10 0.02 -0.12 -0.14 0.00 -0.06 0.09 0.02 -0.11 0.07 -0.00 0.08 0.23 0.02 -0.15 0.04 0.02 -0.17 -0.04 -0.01 0.10 -0.23 0.00 -0.08 -0.21 0.00 -0.08 0.04 -0.01 0.07 0.22 0.04 -0.15 0.20 0.00 0.15 0.01 -0.01 0.14 -0.11 -0.03 0.21 -0.05 -0.01 0.10 0.15 -0.02 0.15 0.01 -0.02 -0.01 -0.01 -0.11 0.00 0.01 0.23 0.02 -0.08 0.04 0.10 -0.17 -0.23 0.16 0.12 -0.24 -0.16 0.10 0.04 -0.12 -0.16 0.37 0.17 0.20 0.37 -0.11 0.00 -0.10 -0.02 -0.07 -0.07 0.01 -0.01 -0.07 -0.01 0.07 -0.05 -0.03 -0.08 0.05 0.06 -0.05 -0.08 -0.00 -0.16 -0.10 -0.01 -0.00 0.04 0.01 0.04 -0.10 -0.04 -0.08 -0.10 0.02 0.09 0.06 -0.04 0.08 -0.06 -0.03 -0.04 0.14 0.08 -0.17 0.06 0.11 -0.01 0.08 0.02 0.18 0.05 -0.08 0.09 0.15 -0.04 0.16 -0.01 0.08 0.28 0.00 0.02 0.30 -0.00 0.03 0.19 -0.02 0.06 0.33 -0.00 0.03 0.32 0.01 0.04 0.19 -0.02 0.09 0.27 0.00 -0.01 0.27 -0.00 -0.01 -0.08 0.01 -0.07 -0.09 0.01 -0.05 -0.16 0.00 -0.03 -0.08 0.02 -0.06 -0.10 0.00 0.02 -0.04 0.00 -0.07 -0.13 0.01 -0.08 -0.13 -0.01 0.03 -0.21 0.01 -0.04 -0.20 0.01 -0.05 -0.12 -0.02 0.03 0.01 0.11 -0.10 -0.06 0.01 0.05 -0.13 -0.01 0.05 -0.15 -0.01 0.06 -0.18 -0.01 0.07 -0.06 -0.06 0.08 -0.02 0.16 0.04 0.02 0.06 0.01 0.00 -0.08 -0.01 0.01 0.22 0.12 0.16 0.09 0.00 -0.08 0.09 0.03 -0.04 0.22 -0.05 0.15 -0.16 -0.00 -0.17 -0.15 -0.05 -0.01 -0.04 0.02 0.01 -0.09 -0.10 0.01 -0.03 0.00 -0.04 -0.09 0.05 -0.01 0.04 0.10 0.14 -0.27 -0.15 -0.10 -0.03 -0.29 -0.00 -0.00 -0.00 0.01 -0.04 -0.01 0.01 -0.04 0.01 0.02 0.05 -0.08 -0.12 -0.19 0.09 0.15 0.24 0.19 -0.20 0.01 0.28 0.00 -0.04 -0.01 0.19 0.01 -0.19 -0.06 0.20 -0.15 0.03 0.20 -0.03 -0.01 0.06 -0.02 0.01 -0.05 0.01 0.02 0.27 0.09 0.10 0.07 -0.01 -0.16 0.08 -0.02 0.02 0.28 -0.15 0.21 -0.13 0.10 -0.16 -0.13 -0.03 0.00 -0.08 -0.01 -0.09 -0.02 0.10 -0.01 -0.08 -0.00 0.09 -0.01 -0.05 -0.08 -0.04 -0.08 -0.23 0.13 0.15 -0.04 -0.11 0.29 -0.00 0.02 0.01 0.05 -0.12 -0.04 -0.09 -0.12 0.04 0.07 -0.02 0.06 0.20 0.08 -0.09 -0.23 -0.19 -0.16 0.04 0.02 -0.26 -0.01 0.11 0.02 0.01 0.01 0.13 0.14 -0.08 0.11 -0.06 0.00 0.24 0.09 0.00 0.17 -0.18 0.01 -0.13 -0.13 0.01 0.26 0.24 0.01 0.19 0.24 -0.00 0.19 -0.11 0.00 0.25 -0.21 0.00 -0.21 -0.22 0.01 -0.22 0.01 -0.02 -0.07 0.01 -0.02 -0.08 -0.03 -0.02 -0.05 0.09 0.07 -0.12 0.02 -0.02 -0.02 0.06 -0.04 -0.09 0.00 0.00 -0.12 0.00 0.00 0.02 -0.05 -0.03 -0.07 -0.08 -0.04 -0.05 0.05 -0.02 0.03 0.25 0.24 -0.19 0.05 -0.03 -0.00 -0.01 -0.00 -0.03 -0.02 0.03 0.06 -0.09 -0.00 0.10 0.14 -0.10 0.10 -0.03 -0.01 0.04 0.02 -0.00 0.01 0.01 0.00 0.00 -0.01 -0.02 0.02 0.03 -0.01 0.02 0.05 -0.00 0.02 -0.02 -0.02 0.04 -0.02 0.01 -0.04 0.02 0.01 -0.01 -0.04 0.01 -0.01 0.06 0.01 0.01 -0.10 -0.01 0.01 -0.01 -0.04 0.03 0.06 -0.09 -0.07 0.00 0.10 0.03 0.15 0.00 0.10 -0.05 0.01 0.09 -0.13 -0.03 -0.02 -0.14 -0.03 0.03 0.06 0.13 -0.07 -0.11 -0.22 0.08 -0.03 -0.39 -0.11 0.21 0.01 -0.33 -0.09 -0.01 0.15 0.27 0.02 -0.33 -0.01 0.46 -0.14 -0.00 -0.00 -0.04 -0.02 -0.00 -0.03 0.03 0.00 0.02 -0.01 -0.01 -0.04 -0.04 -0.00 -0.04 -0.05 0.00 -0.04 -0.01 -0.00 -0.03 0.03 0.01 0.04 0.04 0.00 0.04 -0.01 -0.00 0.13 -0.01 -0.12 -0.08 0.03 -0.03 0.11 0.01 0.17 -0.04 -0.02 -0.08 -0.04 0.02 -0.42 -0.12 -0.03 0.04 -0.34 0.00 -0.01 0.06 0.06 -0.04 0.09 0.06 -0.04 0.14 -0.02 0.06 -0.03 0.15 0.63 -0.13 0.00 -0.18 -0.02 -0.05 -0.01 -0.14 0.03 0.00 0.01 -0.10 -0.01 -0.11 0.02 0.12 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.02 0.03 0.03 0.01 0.01 -0.00 -0.01 0.01 0.01 0.02 0.03 -0.03 0.02 -0.01 0.02 -0.03 -0.01 -0.02 0.00 -0.06 -0.01 -0.04 -0.04 0.06 -0.01 0.19 0.01 0.04 -0.00 -0.06 -0.02 -0.06 0.05 -0.05 0.06 0.07 -0.05 -0.10 0.15 -0.00 -0.08 0.01 -0.10 0.44 0.41 0.08 0.49 -0.35 0.03 -0.03 -0.07 0.06 0.11 -0.08 -0.03 0.02 0.05 -0.03 -0.10 0.12 -0.00 -0.09 0.01 0.06 -0.10 -0.20 0.04 0.13 -0.07 0.03 0.01 -0.01 0.00 -0.00 0.01 -0.02 0.00 -0.01 0.07 -0.00 -0.04 -0.01 -0.01 0.03 -0.01 -0.02 -0.02 -0.01 -0.01 0.02 -0.04 0.01 -0.02 0.01 0.01 0.01 0.05 0.17 -0.01 -0.14 0.17 -0.09 0.01 -0.03 0.01 0.13 0.11 0.11 -0.16 -0.09 0.01 -0.05 -0.01 -0.13 -0.16 0.26 -0.24 -0.01 -0.17 0.02 -0.27 -0.08 -0.12 0.23 -0.08 0.12 0.13 -0.13 -0.01 -0.08 -0.31 0.22 -0.17 -0.04 0.01 -0.07 -0.17 0.07 0.00 0.01 0.00 0.25 -0.24 -0.24 0.03 0.12 -0.10 0.06 -0.01 -0.02 -0.01 -0.00 0.03 -0.05 0.01 -0.03 0.06 -0.04 -0.07 0.03 0.02 -0.00 -0.05 0.02 0.05 0.10 -0.04 0.02 0.08 0.00 0.16 -0.09 0.01 -0.09 0.11 0.00 -0.05 -0.01 0.04 -0.02 -0.01 0.00 0.01 -0.09 -0.10 0.08 -0.02 0.03 -0.01 -0.03 0.10 -0.01 -0.03 -0.02 0.05 -0.01 0.00 0.02 -0.05 -0.03 -0.05 -0.05 -0.03 0.04 -0.02 -0.04 0.02 0.36 0.68 -0.14 -0.02 0.00 -0.01 -0.00 0.03 -0.02 0.01 0.04 -0.00 0.30 -0.07 -0.15 -0.22 0.21 -0.13 0.01 0.05 -0.00 -0.00 0.02 0.00 -0.01 -0.04 -0.00 0.14 0.06 -0.03 -0.06 -0.14 0.24 0.06 -0.14 -0.24 -0.13 0.06 0.03 -0.36 -0.00 -0.50 0.36 -0.01 0.50 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.00 0.00 -0.00 -0.01 0.02 0.01 0.00 -0.02 0.02 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.08 0.13 -0.03 0.00 0.02 -0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.00 0.05 -0.01 -0.01 -0.02 0.02 -0.02 0.07 0.00 -0.03 0.01 0.00 0.05 -0.06 -0.00 -0.02 0.18 0.02 -0.03 -0.05 -0.00 0.04 -0.00 -0.02 0.01 0.18 0.03 -0.10 -0.10 -0.01 -0.12 -0.06 -0.01 0.01 0.20 -0.02 -0.09 -0.05 0.01 -0.03 0.10 -0.01 0.11 -0.06 -0.02 -0.14 -0.05 0.03 0.04 0.05 -0.09 -0.06 -0.21 -0.03 -0.09 0.02 0.02 0.14 0.05 0.01 0.12 -0.05 0.03 0.03 -0.13 0.04 -0.00 -0.36 -0.45 0.00 -0.18 -0.29 -0.02 0.09 0.16 -0.26 0.11 -0.06 0.00 -0.23 -0.03 -0.08 -0.03 0.08 0.07 -0.00 0.05 0.00 -0.00 0.03 -0.00 0.00 0.00 -0.00 0.06 -0.22 -0.48 0.21 -0.16 0.31 -0.21 -0.15 -0.32 -0.07 -0.24 0.49 0.09 0.01 0.17 -0.07 0.01 -0.15 -0.01 0.01 -0.01 -0.01 -0.02 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.02 0.01 -0.01 -0.01 0.01 -0.01 -0.03 0.01 0.01 0.00 0.01 0.01 0.01 -0.00 0.02 0.01 -0.02 0.00 0.02 0.01 -0.01 -0.05 -0.01 -0.01 -0.02 0.01 -0.01 -0.01 0.00 0.01 -0.01 0.01 -0.02 0.02 0.02 0.02 0.00 0.02 0.02 0.01 -0.01 0.00 0.01 0.02 -0.01 0.00 0.02 0.07 -0.07 -0.16 0.03 -0.04 0.10 -0.07 -0.05 -0.09 0.06 -0.06 0.10 -0.06 0.00 -0.07 -0.13 -0.00 -0.16 0.12 -0.04 0.12 0.11 0.02 0.03 -0.20 -0.02 0.21 0.10 -0.01 -0.03 0.05 0.23 -0.12 -0.03 -0.25 0.05 -0.02 0.05 -0.12 -0.16 0.02 -0.07 -0.16 0.02 0.27 -0.25 0.05 0.11 0.04 -0.20 -0.14 -0.19 -0.06 0.07 0.01 0.19 -0.14 0.12 0.20 -0.11 -0.16 0.03 -0.06 -0.02 -0.18 -0.07 0.11 -0.23 -0.09 -0.05 0.00 0.01 0.03 -0.00 -0.01 -0.05 -0.00 -0.09 -0.11 0.01 0.04 0.06 0.00 -0.01 0.05 0.00 0.00 -0.11 -0.00 0.03 0.34 -0.02 0.55 0.37 0.02 0.55 -0.01 -0.01 0.01 -0.00 0.02 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.04 0.02 0.10 -0.08 -0.02 -0.09 0.05 -0.11 0.00 -0.00 0.01 -0.00 0.02 0.04 0.00 0.02 -0.03 0.01 -0.02 -0.02 -0.01 -0.02 -0.01 -0.10 -0.08 -0.04 0.12 0.06 -0.10 -0.01 -0.02 0.03 -0.01 -0.01 0.00 0.02 -0.05 -0.01 -0.00 0.00 -0.01 0.02 -0.00 0.01 -0.04 -0.00 -0.04 0.06 -0.01 -0.03 0.05 0.02 -0.01 -0.00 0.01 0.03 0.04 0.00 -0.02 0.07 0.01 0.21 0.14 0.03 0.17 0.06 0.01 -0.01 0.04 -0.02 -0.05 0.01 0.01 0.10 0.02 0.01 -0.03 -0.03 -0.08 -0.07 -0.26 0.25 0.05 0.30 -0.09 0.27 -0.07 0.01 -0.03 0.05 -0.05 0.01 -0.02 -0.05 0.16 -0.03 0.04 0.03 -0.07 -0.13 0.01 0.32 0.24 0.12 -0.34 -0.18 0.29 0.01 0.07 -0.18 -0.01 0.02 -0.01 0.04 0.14 0.08 -0.00 -0.03 0.00 -0.00 0.03 -0.00 0.00 0.06 -0.00 -0.07 -0.01 0.05 -0.32 -0.16 0.22 0.32 -0.17 -0.23 0.04 -0.01 -0.04 0.46 -0.24 -0.18 -0.45 -0.23 0.20 -0.01 -0.01 -0.00 0.01 0.02 -0.01 0.01 -0.00 0.02 0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.05 0.03 -0.01 0.02 0.04 -0.02 -0.02 0.00 -0.02 0.04 0.00 0.03 0.03 0.00 0.02 0.00 0.01 0.00 0.02 0.01 -0.02 -0.00 -0.02 0.01 0.01 -0.04 0.02 -0.00 0.02 -0.05 0.02 0.03 0.03 0.03 0.01 0.02 -0.02 0.01 0.02 -0.02 -0.01 -0.02 0.03 -0.02 0.02 -0.06 0.00 0.01 0.10 0.04 -0.07 -0.10 0.05 0.05 -0.07 -0.01 0.06 -0.17 0.08 -0.02 0.09 0.06 -0.15 -0.05 -0.02 -0.00 0.08 0.14 -0.02 0.07 -0.03 0.11 -0.01 -0.12 -0.06 -0.09 -0.05 0.06 0.34 0.07 -0.09 0.01 0.23 -0.21 -0.12 0.00 -0.08 0.20 0.04 0.24 0.23 0.06 0.03 0.04 0.05 0.00 0.19 0.07 -0.15 -0.15 -0.21 0.03 0.19 -0.14 0.01 -0.02 0.07 -0.26 0.06 0.18 0.20 0.21 -0.01 0.13 0.03 -0.00 -0.03 0.03 -0.00 0.05 -0.07 0.00 -0.02 0.30 -0.02 -0.12 -0.00 0.01 0.01 0.03 -0.00 0.04 0.27 0.03 -0.14 -0.02 -0.00 0.05 -0.01 0.01 0.06 0.14 0.04 0.00 0.07 -0.09 0.11 -0.10 0.01 -0.08 0.01 0.05 0.08 -0.07 -0.11 0.07 0.24 -0.32 0.06 -0.05 -0.02 -0.10 -0.05 0.03 -0.14 -0.22 0.01 -0.12 -0.14 0.04 -0.14 0.01 0.10 -0.02 -0.14 0.05 0.14 -0.22 -0.13 -0.01 0.08 -0.17 0.05 -0.01 0.08 -0.22 -0.02 0.27 0.27 0.01 -0.17 -0.00 0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 -0.00 0.03 -0.00 -0.03 0.04 -0.00 0.02 -0.00 -0.01 -0.01 0.07 -0.00 -0.02 -0.02 0.00 0.00 0.01 0.00 0.00 -0.03 -0.05 -0.01 0.01 -0.01 0.07 0.04 -0.00 -0.04 0.08 0.07 -0.02 0.04 0.02 -0.03 0.13 -0.23 0.02 -0.11 0.08 -0.16 -0.08 -0.01 -0.06 0.31 -0.01 0.01 -0.04 -0.00 -0.06 -0.11 -0.02 0.14 0.21 -0.25 -0.02 -0.06 0.12 -0.09 0.16 -0.10 0.09 -0.08 -0.08 -0.07 0.32 -0.16 -0.23 -0.32 0.48 -0.03 0.01 0.00 -0.01 0.01 0.00 0.01 -0.02 0.00 -0.01 0.07 -0.00 -0.03 -0.01 0.00 0.01 -0.01 -0.00 0.00 0.09 0.01 -0.04 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.05 0.00 0.02 -0.18 0.04 -0.02 -0.02 -0.04 0.02 0.00 -0.04 0.02 0.19 0.04 -0.03 -0.35 -0.14 0.00 -0.25 0.01 -0.04 -0.07 -0.11 -0.06 -0.13 0.01 0.08 0.21 0.04 -0.05 0.01 0.14 0.03 0.05 0.05 -0.00 0.22 0.03 -0.02 0.28 -0.07 0.08 -0.09 -0.47 -0.01 -0.04 0.26 0.23 0.22 0.04 0.19 -0.00 0.00 0.01 -0.01 0.00 -0.01 0.02 0.00 0.01 -0.13 0.01 0.06 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.12 -0.01 0.06 0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.03 -0.00 -0.05 -0.00 0.00 -0.01 -0.08 -0.01 0.11 0.07 -0.01 0.02 -0.01 0.01 -0.00 0.10 0.08 -0.03 -0.05 -0.03 0.00 0.15 -0.04 -0.04 -0.38 0.00 0.08 -0.26 -0.00 0.07 -0.07 0.06 0.01 0.30 -0.13 -0.04 -0.13 0.07 -0.08 0.02 0.02 -0.04 0.43 -0.18 -0.50 -0.03 0.06 -0.00 -0.21 -0.03 -0.09 -0.02 -0.00 -0.02 0.02 -0.00 0.01 -0.02 0.00 0.01 0.10 -0.02 -0.07 0.04 0.00 0.01 0.06 -0.00 0.02 0.12 0.01 -0.07 -0.01 -0.00 0.02 -0.02 -0.00 0.02 -0.02 -0.01 -0.00 0.13 -0.03 -0.04 0.03 -0.12 -0.04 0.03 0.03 0.06 -0.11 0.12 -0.05 0.04 0.17 0.01 0.17 -0.12 0.13 -0.03 -0.11 0.03 -0.21 0.12 0.29 0.45 0.16 -0.31 -0.03 0.08 0.03 0.11 0.01 0.05 -0.14 0.07 -0.07 -0.23 0.25 -0.19 -0.11 -0.23 0.17 -0.08 0.08 0.05 -0.05 0.01 0.02 -0.03 0.00 -0.06 0.06 0.00 0.03 -0.05 -0.00 0.02 0.17 -0.03 -0.17 0.16 -0.01 0.07 0.11 -0.02 0.02 0.28 0.02 -0.16 -0.05 -0.00 0.03 -0.04 0.00 0.04 -0.08 -0.04 -0.03 -0.05 -0.01 -0.08 0.02 0.02 0.04 0.11 0.03 0.08 0.05 -0.01 0.10 0.00 0.33 -0.07 -0.06 -0.18 0.16 -0.05 0.06 -0.02 0.20 -0.03 -0.01 0.13 -0.05 0.16 -0.06 -0.03 -0.09 0.19 -0.02 0.07 0.10 -0.35 0.13 0.18 0.07 -0.11 -0.06 0.03 -0.01 -0.08 0.03 0.02 -0.26 -0.26 -0.23 -0.04 0.00 -0.08 0.07 0.00 0.04 -0.07 -0.00 0.04 0.20 -0.04 -0.21 0.18 -0.01 0.08 0.13 -0.02 0.02 0.33 0.03 -0.21 -0.08 -0.00 0.03 -0.06 0.00 0.04 -0.07 -0.06 0.02 -0.03 0.10 -0.00 -0.04 -0.10 0.01 -0.08 0.02 -0.01 0.02 -0.04 -0.04 -0.03 -0.05 -0.02 0.10 0.28 -0.16 0.11 0.03 0.02 0.09 0.11 0.38 -0.28 0.11 -0.31 0.05 -0.00 0.02 -0.12 0.01 -0.00 0.12 0.13 0.01 -0.05 -0.10 0.11 0.12 0.20 -0.00 0.06 -0.02 -0.01 -0.02 -0.03 -0.03 -0.06 0.00 -0.07 0.07 -0.01 0.03 -0.06 0.01 0.05 0.30 -0.03 -0.21 0.17 0.01 0.02 0.26 0.00 0.09 0.10 0.04 -0.19 -0.06 -0.00 0.04 -0.09 0.00 0.02 -0.09 0.07 -0.03 0.02 -0.07 0.05 0.00 0.11 0.05 -0.05 -0.05 -0.07 -0.01 0.04 -0.02 0.15 -0.05 0.02 -0.07 -0.08 -0.01 0.03 -0.05 -0.00 -0.07 -0.10 -0.29 0.19 -0.14 0.42 0.06 -0.02 0.02 0.01 0.00 -0.10 -0.21 0.17 -0.14 -0.02 0.06 -0.04 0.05 -0.18 -0.04 0.05 -0.06 -0.03 0.24 0.14 0.15 0.03 0.00 0.09 -0.07 -0.00 -0.01 0.03 0.00 -0.09 0.39 -0.01 0.01 -0.26 0.01 -0.07 -0.20 0.01 -0.01 0.27 0.01 0.03 0.09 -0.00 -0.02 0.08 0.00 -0.02 -0.08 0.01 -0.05 -0.01 -0.07 -0.04 -0.01 -0.05 0.06 -0.09 0.09 -0.04 0.04 0.04 0.05 0.02 0.16 -0.02 -0.04 -0.19 0.12 0.01 0.01 -0.06 -0.12 0.04 0.17 0.15 0.05 -0.02 0.08 -0.06 0.07 -0.28 0.02 0.03 0.01 -0.16 0.04 0.11 0.10 -0.10 0.11 0.10 -0.22 0.43 0.04 0.11 -0.00 0.09 -0.00 0.02 0.00 0.10 -0.06 -0.00 -0.01 0.01 0.00 -0.09 0.47 -0.03 -0.03 -0.23 0.01 -0.05 -0.23 0.00 -0.04 0.47 0.02 -0.03 0.08 -0.01 -0.01 0.08 0.00 -0.01 -0.06 0.00 -0.01 0.00 0.03 0.04 -0.01 0.03 0.01 0.04 -0.06 0.02 -0.01 -0.02 -0.05 0.04 -0.12 0.02 0.06 0.18 -0.13 0.03 -0.01 0.04 0.17 -0.02 -0.03 0.01 -0.05 0.12 -0.03 0.03 -0.05 0.25 -0.06 -0.04 -0.04 0.18 -0.07 -0.10 -0.05 0.05 -0.06 -0.06 0.19 -0.28 -0.04 -0.08 -0.01 -0.12 -0.03 0.01 -0.01 0.01 -0.01 0.03 -0.00 -0.00 -0.02 -0.01 -0.47 -0.02 0.08 0.13 -0.04 0.12 -0.22 -0.04 -0.14 0.55 -0.03 -0.07 -0.05 -0.01 -0.04 0.07 -0.01 0.05 0.00 -0.07 0.02 0.02 0.02 -0.04 -0.00 0.04 -0.02 -0.01 0.03 0.03 -0.02 0.02 -0.00 0.16 0.20 -0.06 -0.04 -0.05 0.03 0.01 -0.04 -0.01 0.02 -0.04 -0.15 -0.13 -0.06 0.08 0.01 0.01 0.02 -0.24 0.14 0.09 -0.13 0.07 -0.07 0.08 -0.03 0.01 0.03 -0.13 -0.05 -0.08 -0.04 -0.04 0.16 0.11 0.13 0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.43 0.01 -0.08 -0.16 0.03 -0.09 0.11 0.02 0.08 -0.39 0.02 0.07 0.04 0.01 0.05 -0.03 0.01 -0.06 0.00 -0.07 0.02 0.01 0.02 -0.05 0.00 0.01 -0.02 0.01 0.02 0.05 -0.01 0.01 0.00 0.15 0.24 -0.07 -0.12 -0.12 0.06 -0.00 -0.03 -0.01 0.25 -0.02 -0.00 -0.35 -0.02 -0.06 0.00 0.01 0.00 -0.18 0.15 0.11 -0.13 0.06 -0.07 0.13 -0.07 0.04 0.03 -0.15 -0.06 -0.19 -0.09 -0.09 0.19 0.12 0.14 -0.01 0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 -0.00 0.14 -0.02 -0.06 -0.05 0.00 -0.02 -0.04 -0.00 -0.02 0.08 0.02 -0.05 -0.00 0.00 0.02 -0.01 -0.00 0.00 -0.01 -0.01 0.10 0.01 0.03 -0.02 0.02 0.04 -0.07 0.02 -0.03 -0.03 -0.04 0.03 0.06 -0.32 -0.10 0.05 0.37 0.23 -0.04 -0.00 -0.01 0.00 -0.02 -0.01 -0.17 -0.26 -0.02 -0.05 -0.02 -0.04 -0.00 0.07 -0.02 -0.05 0.12 -0.30 0.17 -0.14 0.23 -0.19 0.14 -0.35 -0.24 0.20 0.05 0.07 0.10 0.10 0.09 -0.01 0.00 0.01 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.06 -0.01 -0.03 0.01 0.00 -0.03 0.01 -0.00 -0.00 0.10 0.00 -0.01 -0.01 -0.00 -0.00 -0.02 -0.01 0.02 -0.02 0.02 0.02 0.01 -0.01 0.00 0.02 -0.03 -0.04 0.01 -0.04 0.02 0.01 0.04 0.01 -0.11 -0.07 0.03 -0.04 -0.05 0.02 -0.02 0.02 0.00 -0.31 0.02 -0.05 0.13 0.03 -0.09 -0.01 -0.01 0.01 0.09 0.01 -0.01 0.13 -0.13 0.08 0.20 -0.06 0.05 0.15 0.44 -0.29 -0.40 -0.28 -0.29 0.20 0.21 0.17 0.02 -0.01 0.02 -0.06 -0.01 -0.04 -0.00 0.01 0.01 -0.13 0.03 0.11 0.35 -0.00 0.02 0.17 -0.00 0.02 0.13 -0.04 0.04 0.01 -0.01 -0.05 -0.02 -0.02 0.08 -0.02 0.12 -0.12 0.01 -0.05 0.03 0.01 -0.04 0.03 -0.03 0.02 0.08 0.01 0.01 0.02 -0.16 -0.17 0.06 0.01 -0.05 0.03 -0.04 -0.01 0.00 0.51 0.02 0.23 -0.33 0.03 -0.13 0.04 -0.02 -0.03 0.13 -0.01 0.03 -0.03 -0.04 0.00 -0.13 0.13 -0.09 0.07 -0.19 -0.18 -0.15 -0.08 -0.06 0.25 0.04 0.12 -0.05 -0.00 -0.08 0.12 0.00 0.17 0.05 -0.00 -0.06 -0.26 -0.04 -0.13 -0.54 -0.02 0.11 -0.57 0.02 0.06 -0.15 0.05 -0.17 0.09 -0.03 -0.10 0.10 0.03 -0.10 -0.02 0.05 -0.05 0.01 -0.02 0.01 -0.00 -0.01 0.01 -0.01 -0.00 0.03 0.01 0.01 0.02 -0.09 -0.07 0.03 0.03 -0.01 0.01 -0.01 -0.00 -0.00 0.20 0.01 0.09 -0.06 0.01 -0.03 0.02 -0.00 -0.01 0.11 -0.02 -0.01 -0.05 -0.01 -0.01 -0.01 0.04 -0.03 0.03 -0.02 -0.07 -0.11 -0.06 -0.06 0.10 0.02 0.05 0.00 -0.11 0.00 -0.00 0.17 -0.00 -0.00 -0.08 0.00 0.20 0.09 0.34 -0.01 -0.08 0.39 0.05 -0.09 -0.40 -0.18 0.11 -0.33 -0.12 0.09 0.35 0.12 0.09 -0.35 -0.00 0.01 -0.02 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.03 -0.02 0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.01 0.02 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.05 -0.02 0.02 -0.04 0.03 -0.02 0.02 0.01 -0.05 -0.02 -0.01 -0.01 0.02 0.01 0.01 -0.00 0.02 -0.02 -0.03 -0.01 0.04 0.02 -0.00 -0.02 -0.03 -0.00 -0.07 -0.04 -0.01 0.03 0.09 0.02 0.13 -0.04 -0.02 0.05 0.04 -0.01 -0.04 0.06 0.01 -0.03 -0.02 -0.05 -0.06 -0.04 0.02 0.10 0.04 -0.00 -0.01 0.04 0.01 0.04 0.03 -0.02 -0.07 0.46 0.04 -0.03 -0.13 0.12 -0.13 -0.05 0.03 0.05 -0.17 -0.00 -0.06 0.10 0.00 -0.00 -0.01 -0.02 -0.02 -0.21 0.16 0.11 0.42 -0.09 0.14 -0.41 0.19 -0.11 0.13 -0.14 -0.25 0.02 0.02 0.03 0.09 0.02 0.05 0.02 0.01 0.08 0.19 -0.00 -0.14 -0.11 -0.01 0.10 -0.03 -0.00 0.08 -0.39 0.07 -0.39 -0.31 -0.06 -0.37 0.06 -0.01 0.11 -0.26 0.07 0.16 -0.23 -0.06 0.14 -0.01 0.04 -0.01 -0.01 -0.00 0.02 0.02 -0.02 0.00 -0.00 0.00 0.01 0.01 -0.02 -0.03 0.19 0.07 -0.02 -0.21 -0.10 0.01 -0.02 0.01 0.02 0.01 0.01 0.04 -0.11 0.02 -0.07 0.00 -0.02 -0.02 0.08 -0.00 -0.02 0.10 0.01 0.02 -0.14 0.04 -0.02 0.02 -0.06 -0.05 0.06 0.03 0.04 0.04 -0.01 0.01 0.00 0.08 -0.00 -0.01 0.02 -0.00 -0.00 -0.10 0.00 -0.24 -0.03 -0.16 -0.53 -0.01 -0.06 0.59 -0.03 0.06 0.22 -0.06 0.19 -0.16 0.05 0.21 0.17 0.05 -0.21 0.01 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.06 -0.02 0.01 0.09 0.04 0.00 0.01 0.00 -0.01 0.07 0.00 0.03 0.02 0.00 0.01 0.00 0.00 0.01 0.01 0.01 -0.00 -0.07 0.01 -0.02 0.02 0.01 -0.01 -0.01 -0.00 0.02 -0.03 -0.03 -0.03 0.00 0.01 0.01 0.02 -0.01 0.01 0.03 -0.01 -0.03 -0.02 0.01 0.02 0.02 0.03 0.07 0.04 0.02 -0.07 -0.11 -0.01 -0.07 -0.11 -0.02 0.05 -0.03 0.01 0.00 -0.08 -0.02 0.06 0.03 -0.04 -0.05 -0.03 0.00 0.00 -0.13 -0.00 -0.01 0.04 -0.03 -0.00 0.02 -0.02 0.06 -0.04 -0.04 -0.00 0.33 0.23 -0.06 0.05 0.03 -0.06 0.30 -0.01 0.09 0.51 -0.00 0.13 0.00 0.02 0.06 -0.32 0.19 0.09 -0.09 -0.01 -0.01 -0.14 0.18 -0.15 0.04 -0.06 -0.05 -0.21 -0.18 -0.19 -0.06 0.09 0.01 0.00 -0.00 -0.01 -0.02 0.00 0.01 0.01 0.00 -0.01 0.00 -0.01 -0.01 0.05 -0.01 0.03 -0.01 0.00 0.02 0.02 0.01 -0.04 0.02 -0.01 -0.02 0.01 0.00 -0.00 0.04 0.06 0.08 -0.10 -0.06 -0.01 0.02 -0.05 0.02 -0.01 -0.01 -0.01 0.05 -0.03 0.03 0.44 0.37 -0.11 0.28 0.14 -0.00 0.01 0.06 -0.08 -0.19 0.02 0.07 -0.12 0.04 -0.12 -0.04 -0.03 -0.01 0.26 -0.16 -0.08 -0.15 0.11 -0.09 -0.16 0.15 -0.11 -0.19 -0.03 0.24 -0.04 -0.06 -0.06 0.22 0.21 0.17 0.01 0.00 0.00 0.02 -0.00 -0.01 -0.01 0.01 0.01 0.01 0.01 0.03 -0.02 0.01 -0.05 -0.05 -0.00 -0.03 -0.09 -0.01 0.05 -0.03 0.01 0.01 -0.05 -0.01 0.03 -0.02 -0.05 -0.10 -0.06 -0.07 0.02 0.11 0.02 0.05 -0.00 0.02 0.03 -0.01 0.06 -0.00 0.02 -0.02 0.01 0.61 0.36 -0.11 -0.06 -0.02 0.01 -0.29 -0.01 -0.08 -0.25 -0.01 0.00 0.06 0.03 0.01 -0.13 0.10 0.06 -0.09 0.02 -0.05 0.29 -0.14 0.13 -0.07 -0.05 0.02 -0.13 -0.04 -0.03 -0.17 -0.15 -0.15 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.01 0.01 -0.00 0.00 -0.00 0.02 -0.00 0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.04 -0.02 0.03 -0.00 0.00 0.02 -0.02 0.04 0.02 -0.08 0.02 -0.02 -0.05 0.04 -0.02 0.20 0.06 -0.02 -0.13 -0.05 0.01 0.02 -0.08 -0.11 0.11 -0.03 -0.05 -0.18 -0.02 0.07 0.11 0.06 0.08 0.21 -0.19 -0.10 0.41 -0.36 0.25 -0.12 0.12 -0.10 -0.14 -0.02 0.15 -0.30 -0.21 -0.22 -0.24 -0.14 -0.17 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.02 -0.02 0.01 -0.00 0.02 0.01 0.00 0.01 0.05 0.01 -0.04 0.01 -0.01 -0.01 0.02 0.00 -0.01 0.03 0.09 0.06 -0.05 -0.07 0.00 -0.07 -0.03 -0.05 0.01 -0.03 -0.03 -0.09 0.06 -0.07 0.28 0.18 -0.05 0.13 -0.01 0.04 0.02 0.07 0.08 0.25 0.02 0.09 0.19 0.03 -0.07 0.01 -0.01 0.00 0.00 -0.00 -0.04 0.22 -0.13 0.11 0.41 -0.37 0.28 0.17 -0.39 -0.16 0.06 -0.04 -0.05 -0.04 -0.10 -0.04 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 -0.01 -0.00 -0.00 -0.00 -0.03 -0.01 0.03 -0.01 0.01 0.00 -0.02 -0.01 0.01 0.04 -0.03 0.03 -0.05 -0.04 0.00 -0.06 0.04 -0.04 -0.04 0.04 0.01 0.04 0.04 -0.00 0.21 0.15 -0.05 0.23 0.14 -0.03 -0.04 -0.15 0.08 0.36 -0.04 -0.08 0.09 -0.01 0.03 -0.01 0.02 -0.04 0.21 -0.17 -0.04 -0.04 0.09 -0.06 0.00 0.11 -0.07 0.18 0.59 -0.29 0.13 0.18 0.17 0.04 -0.07 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.01 0.03 0.04 -0.02 0.00 -0.02 -0.02 -0.00 -0.01 -0.03 -0.03 0.05 -0.02 0.01 0.01 -0.02 -0.01 0.01 -0.01 -0.03 -0.08 -0.00 -0.01 0.03 -0.02 0.01 0.04 0.02 0.02 0.05 -0.08 0.06 -0.03 0.02 -0.09 0.02 0.11 0.07 -0.02 0.12 -0.05 -0.07 0.04 0.02 0.08 -0.01 -0.05 0.14 -0.11 -0.02 -0.05 -0.01 0.03 0.06 0.34 -0.27 0.21 0.22 -0.12 0.06 -0.15 0.21 0.40 0.18 0.16 0.15 0.36 0.25 0.28 -0.02 -0.00 0.02 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.03 -0.06 -0.09 0.02 -0.01 0.02 0.00 0.01 0.01 0.08 0.06 -0.11 0.03 -0.02 -0.02 0.03 0.01 -0.01 -0.04 0.16 0.03 -0.02 -0.04 0.01 0.04 -0.02 -0.00 0.14 -0.13 -0.07 0.01 0.02 0.00 0.07 0.12 -0.00 -0.06 -0.04 -0.02 0.01 -0.11 -0.03 0.13 0.02 0.08 -0.35 -0.01 -0.09 -0.05 0.04 0.05 -0.52 0.38 0.08 0.05 -0.06 0.02 -0.07 0.10 -0.06 -0.07 0.38 0.09 0.07 0.05 0.02 -0.24 -0.03 -0.09 -0.04 0.00 -0.09 0.03 0.00 0.01 -0.05 0.00 0.04 0.18 0.33 0.44 -0.04 0.02 -0.03 -0.04 -0.02 -0.03 0.17 -0.34 0.42 0.27 -0.23 -0.18 0.27 0.23 -0.18 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 0.01 0.02 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.01 -0.02 -0.00 0.00 0.00 -0.02 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.05 0.02 0.00 -0.04 0.04 -0.00 -0.04 0.10 0.17 0.22 -0.10 -0.28 0.38 -0.09 0.28 0.37 0.10 -0.18 0.21 -0.29 0.24 0.19 -0.30 -0.23 0.19 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.01 -0.02 -0.00 0.00 0.00 -0.02 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.00 -0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.02 0.02 -0.00 0.02 0.02 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 0.01 -0.01 0.00 0.00 -0.02 0.00 -0.01 -0.01 -0.02 -0.02 0.01 0.09 -0.13 -0.04 0.05 -0.06 0.14 -0.00 -0.00 0.01 -0.01 0.09 0.12 -0.03 -0.10 0.11 0.05 -0.06 -0.02 -0.00 -0.01 -0.01 0.13 0.22 0.08 0.16 0.04 -0.20 0.01 -0.02 -0.01 -0.38 0.16 0.44 -0.24 0.53 -0.22 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.03 0.04 -0.02 0.01 -0.00 0.02 0.00 -0.00 0.00 -0.04 -0.04 0.02 0.19 -0.35 -0.10 0.15 -0.13 0.36 -0.01 -0.00 -0.00 0.00 -0.07 -0.09 -0.01 0.08 -0.09 -0.02 0.03 0.01 -0.02 0.02 0.00 0.21 0.41 0.13 0.28 0.10 -0.38 -0.01 0.00 -0.00 0.17 -0.08 -0.20 0.09 -0.25 0.09 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.02 0.02 -0.01 0.02 0.02 0.00 0.01 -0.01 0.02 -0.02 -0.01 0.02 0.02 -0.01 0.00 -0.00 0.01 -0.03 0.05 -0.03 0.01 0.00 -0.06 0.00 -0.00 -0.00 0.03 0.03 -0.01 0.23 -0.37 -0.12 0.17 -0.14 0.39 -0.01 -0.00 0.00 -0.08 0.24 0.33 -0.06 -0.28 0.31 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.17 -0.27 -0.11 -0.21 -0.05 0.25 0.00 0.02 -0.02 0.05 -0.02 -0.06 0.02 -0.07 0.02 -0.03 0.00 -0.06 -0.03 0.00 0.13 0.08 -0.00 -0.06 0.06 0.15 0.18 0.10 0.35 -0.38 0.08 -0.35 -0.38 0.06 -0.15 0.17 -0.25 0.24 0.16 -0.25 -0.23 0.16 -0.01 0.01 0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.02 -0.01 0.01 -0.02 0.03 -0.00 -0.00 0.00 -0.01 0.04 0.05 -0.02 -0.04 0.04 -0.00 0.00 0.00 -0.02 0.01 -0.00 0.00 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.02 0.02 -0.00 0.02 0.02 -0.01 0.00 0.00 0.01 -0.01 -0.01 0.01 0.01 -0.01 0.02 -0.00 0.00 0.02 -0.03 0.02 0.02 0.00 -0.07 -0.01 0.01 0.00 -0.02 -0.03 0.01 -0.15 0.26 0.08 -0.11 0.10 -0.27 -0.02 0.00 -0.00 -0.10 0.31 0.41 -0.07 -0.35 0.39 -0.01 0.02 0.01 0.02 -0.02 -0.00 0.13 0.25 0.08 0.17 0.06 -0.23 -0.01 -0.01 -0.03 0.10 -0.05 -0.13 0.05 -0.16 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.02 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 0.00 0.03 -0.07 0.02 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.05 -0.00 0.03 -0.16 0.78 -0.50 -0.19 -0.01 0.27 -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 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.04 -0.06 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.09 0.02 -0.37 -0.36 0.69 0.47 -0.00 0.00 -0.00 0.00 0.02 -0.01 0.01 -0.03 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 0.00 0.05 -0.03 -0.09 -0.06 0.00 0.00 0.00 0.00 -0.02 0.01 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 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 -0.07 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.01 0.00 -0.02 -0.01 0.02 0.01 0.01 -0.00 0.01 -0.07 -0.56 0.33 -0.09 0.58 0.43 -0.00 0.00 0.00 0.00 0.00 0.01 -0.06 0.01 0.10 -0.04 -0.09 -0.06 -0.11 0.00 -0.07 0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 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 0.00 0.00 0.05 0.04 -0.02 0.00 0.00 0.01 0.05 -0.10 -0.06 -0.01 -0.00 -0.01 0.01 0.08 -0.04 0.01 -0.08 -0.06 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.34 0.03 0.62 -0.21 -0.52 -0.34 0.16 0.00 0.09 -0.00 0.00 -0.00 0.02 0.00 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -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 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.02 0.02 0.04 0.02 -0.08 -0.02 -0.01 -0.07 0.01 -0.00 -0.01 -0.01 -0.02 -0.01 0.10 -0.00 0.06 0.07 -0.27 0.16 -0.55 0.02 0.75 0.00 -0.00 -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 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 0.05 -0.01 0.03 0.02 -0.07 -0.00 -0.04 -0.01 -0.08 0.05 -0.02 0.09 0.07 -0.01 0.00 0.01 0.00 0.00 0.02 0.09 -0.01 -0.16 0.01 0.04 0.02 0.82 0.00 0.49 -0.00 -0.01 0.00 0.07 -0.00 -0.10 0.00 0.00 0.00 0.01 -0.00 -0.07 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.07 0.60 0.38 -0.09 -0.58 0.37 0.00 -0.00 0.00 -0.02 -0.03 0.01 -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 -0.01 0.00 -0.03 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 -0.01 -0.00 -0.02 -0.01 0.00 0.01 0.00 0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 0.02 -0.00 -0.02 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 0.04 0.19 -0.06 0.75 -0.11 0.21 0.13 0.01 -0.00 0.00 -0.00 -0.02 0.01 0.01 -0.03 -0.02 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.16 -0.01 -0.29 -0.14 -0.35 -0.22 -0.08 -0.00 -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 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.00 -0.09 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.03 -0.04 0.01 -0.15 0.03 -0.05 -0.03 0.00 -0.00 0.00 0.08 0.59 -0.37 -0.08 0.48 0.37 -0.00 -0.00 0.00 0.00 0.00 0.01 0.11 -0.00 -0.19 -0.08 -0.18 -0.12 -0.02 0.00 -0.01 -0.00 0.01 -0.01 0.01 -0.00 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 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 -0.01 -0.05 0.00 -0.03 -0.00 0.00 0.00 0.00 0.01 -0.04 -0.06 0.12 -0.04 0.46 -0.09 0.17 0.11 -0.00 -0.00 -0.00 0.03 0.22 -0.13 -0.03 0.19 0.15 0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.27 0.01 0.47 0.18 0.43 0.27 0.03 0.00 0.02 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.01 -0.01 -0.06 0.00 0.00 -0.00 -0.02 0.00 0.01 0.06 -0.49 0.27 -0.00 0.01 0.00 -0.00 -0.02 0.01 0.08 0.59 0.36 0.14 0.27 -0.08 0.14 -0.28 -0.08 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.03 -0.00 0.00 0.01 0.05 -0.00 -0.03 0.03 -0.24 0.14 0.01 -0.04 -0.02 0.00 0.01 -0.01 0.04 0.29 0.18 -0.28 -0.54 0.16 -0.27 0.56 0.16 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -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 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.03 0.02 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.01 -0.08 0.00 -0.00 -0.00 0.01 -0.00 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.00 -0.00 0.30 0.10 0.94 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.04 0.00 0.05 -0.00 0.01 -0.00 -0.00 -0.10 0.00 0.00 0.01 -0.00 0.00 -0.06 0.03 -0.07 0.57 0.38 0.09 0.59 -0.38 -0.00 -0.02 -0.01 -0.03 -0.06 0.02 0.02 -0.04 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.04 -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 -0.08 0.00 -0.00 0.00 -0.00 0.00 0.07 -0.00 -0.05 0.50 -0.28 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.05 0.39 0.24 -0.22 -0.41 0.12 0.21 -0.40 -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 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 -0.00 -0.01 -0.00 -0.00 -0.07 0.00 -0.05 0.45 -0.26 -0.01 0.06 0.04 0.01 0.06 -0.04 0.05 0.36 0.22 0.24 0.45 -0.13 -0.22 0.44 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 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 1 1 1 1 6 6 6 6 6 1 1 6 1 1 6 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 6 6 6 1 1 1 1 1 1 6 6 6 6 6 1 1 6 1 1 6 1 1 1 1 1 1 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 136.12520 627.51055 2255.31027 2356.27618 0.99999 1.0E-5 -0.00317 -5.0E-5 0.99991 -0.01319 0.00317 0.01319 0.99991 asymmetric 1 0.13803 0.03840 0.03676 2.87603 0.80022 0.76593 609738.0 64.50 150.50 162.78 285.36 315.61 375.51 408.99 518.03 592.47 700.14 824.12 933.89 978.05 1030.77 1098.07 1125.45 1156.04 1178.70 1194.10 1194.90 1269.33 1318.62 1332.10 1369.16 1394.92 1402.51 1420.59 1440.93 1497.32 1504.46 1516.60 1552.90 1611.45 1629.58 1669.83 1686.28 1695.33 1721.71 1749.88 1757.47 1783.53 1790.59 1824.40 1840.81 1890.35 1902.41 1911.76 1959.82 2042.81 2069.77 2091.36 2108.69 2124.27 2147.92 2156.04 4336.30 4372.39 4416.23 4422.88 4447.32 4467.36 4476.47 4493.61 4509.67 4515.09 4549.07 4558.70 4571.19 4600.35 4725.30 4733.84 0.232237 0.242002 0.242946 0.197104 -389.869390 -389.859624 -389.858680 -389.904523 151.859 39.123 96.483 0.000 0.000 0.000 0.889 2.981 40.637 0.889 2.981 29.590 150.081 33.162 26.256 1 0.595 1.979 5.033 2 0.605 1.946 3.367 3 0.607 1.939 3.214 4 0.637 1.842 2.149 5 0.647 1.812 1.964 6 0.669 1.744 1.655 7 0.683 1.703 1.508 8 0.735 1.555 1.122 9 0.776 1.445 0.920 10 0.843 1.280 0.692 11 0.929 1.090 0.499 0.218097e-90 -90.661350 -208.755474 0.144587e+17 16.160130 37.210075 0.354320e+03 2.549396 5.870202 0.100000e+01 0.000000 0.000000 0.624254e+08 7.795362 17.949484 0.653691e+06 5.815372 13.390390 edo ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.0505 0.5077 0.0158 0.5104 -64.2688 -63.3404 -63.0541 -0.0816 -0.1642 -0.0474 -0.7144 0.2140 0.5004 -0.0816 -0.1642 -0.0474 7.5526 2.8471 -4.1066 -4.9026 -0.8318 1.6359 2.2049 -0.0571 3.3233 0.2776 -1731.0235 -390.9824 -304.0313 0.3878 -15.4965 0.7175 -1.3166 2.5264 0.5097 -328.5919 -336.9874 -110.8597 0.9019 1.5025 -0.0947 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|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) 0 1-A -390.1016265 0.700425 0. 0.11179 6.231E-9 5.717E-7 0.2322369 0.242002 -389.8596245 -389.8586803 -389.9045227 C01 [X(C10H16)] -0.01985 0.199737 0.0062215 -0.1111553 -0.1167615 -0.0555002 -0.0202921 0.0192265 0.0054698 -0.3115892 0.0595929 -0.0194323 0.4697755 -0.0417984 -0.0057612 -0.0023807 0.0588316 0.0000722 0.1578344 -0.0366545 0.0353996 -0.6660527 0.1122244 -0.0202743 -0.010736 0.0936533 0.003832 0.4181162 -0.0345741 -0.1752946 0.0901893 0.0087078 -0.0354706 -0.0072383 0.0119115 0.0407776 -0.0637677 0.01941 0.0172113 0.0497309 0.0402333 0.0471442 0.0267879 -0.0258194 -0.0807586 -0.0498875 -0.0386984 -0.0140876 0.0661834 -0.0291331 0.0424362 -0.0280929 -0.0293861 0.0813284 -0.038533 0.0558388 -0.0170866 0.1345168 0.0088858 -0.0517028 -0.0009953 -0.0177576 -0.0459878 -0.0964407 -0.022716 0.0149687 -0.0876374 -0.0042144 0.0662494 -0.03602 -0.0308187 0.0366884 -0.0443372 0.022622 0.1078769 -0.0783823 0.023338 0.0610333 0.0428097 -0.0363687 -0.0391362 -0.0391008 -0.0048924 0.1035379 0.2142143 0.305937 0.0637861 0.1568792 -0.0861889 -0.0550087 0.3083286 -0.1923812 -0.0559747 0.069611 -0.1557959 -0.0388242 -0.0033881 0.2762714 0.0647123 -0.1330317 0.0376625 0.1104315 -0.1030474 -0.0366489 -0.0888746 -0.0374149 0.0798506 0.0042488 0.0761885 0.0480011 0.0240397 0.1345467 -0.2682115 -0.0572101 -0.0242427 -0.3002986 -0.008723 -0.0975574 0.2061945 0.0847709 0.0640849 -0.0042077 -0.0253161 -0.0013449 -0.00948 0.0224777 -0.0229991 0.0355866 0.0958154 0.0126567 0.0262418 -0.0449696 0.021559 0.0353031 -0.0063532 -0.0632593 0.0545105 -0.1126093 -0.0387116 0.0862314 0.0283952 -0.0212188 -0.1039848 -0.0322078 0.0405074 -0.1110767 -0.005993 0.1550338 0.0181149 0.1135692 0.0684194 0.0560486 0.0124991 0.1382613 -0.0048189 0.0543424 0.0404841 -0.0201616 0.0243865 -0.0159338 -0.0822507 0.1226857 0.013748 0.0610307 -0.025706 0.0261673 0.0346931 0.0410514 0.0066623 -0.0659078 -0.1250974 -0.0016067 -0.0626815 -0.0312491 0.0684685 -0.0519733 -0.0489542 -0.0196408 0.1148127 -0.0751284 -0.0668572 -0.0646942 0.0891567 -0.0605984 0.0436787 -0.0249467 -0.0670009 0.151135 0.0597956 -0.0414734 -0.0773606 -0.1126525 -0.0451717 -0.020378 0.0558166 0.024556 0.0361132 -0.0145102 0.1130791 0.0408139 -0.0990619 -0.0395431 -0.0566835 -0.0203892 -0.0903121 -0.0991911 -0.0493875 -0.0673621 -0.0861758 0.0115474 -0.1987615 -0.00293 -0.1079672 -0.0238975 0.024367 0.0031588 -0.1312398 0.0130653 -0.0072625 -0.069044 0.0634185 0.0002074 0.1090253 -0.1239187 0.0664992 -0.0941991 0.1255717 0.008691 -0.0975576 0.0371929 0.0820856 -0.0465492 0.0538464 0.0080536 0.0971783 -0.0431762 -0.0813793 176.0666558|-9.1958305|97.7881804|-7.8182663|3.2830157|92.4161916 -0.000000175 -0.000000173 -0.000000261 0.000000172 -0.000000936 -0.000000408 0.000000013 -0.000000724 -0.000000580 0.000000069 0.000000064 0.000000156 0.000000480 -0.000001179 0.000000011 0.000000041 -0.000001176 -0.000000778 -0.000000377 0.000000077 -0.000000655 0.000000140 -0.000000751 -0.000000280 -0.000000300 -0.000000741 -0.000001096 0.000000046 0.000000065 0.000000071 -0.000000208 -0.000000092 -0.000000460 -0.000000197 0.000000810 0.000000230 0.000000381 -0.000000195 0.000000600 -0.000000215 0.000000346 -0.000000159 -0.000000042 -0.000000638 -0.000000547 -0.000000502 0.000000025 -0.000000905 -0.000000065 0.000000786 0.000000456 -0.000000077 0.000001037 0.000000629 -0.000000518 0.000001072 -0.000000158 0.000000409 0.000000333 0.000000954 0.000000618 -0.000000706 0.000000597 -0.000000055 0.000000061 -0.000000045 -0.000000532 0.000000678 -0.000000471 -0.000000164 0.000001237 0.000000613 0.000000507 0.000000623 0.000001399 0.000000548 0.000000097 0.000001086 120.107 AuxInfo=1/0/N:1;2;3;10;11;12;13;14;17;20;4;5;6;7;8;9;15;16;18;19;21;22;23;24;25;26/rA:26nC0C0C0H0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.881,-.0749,.5474;-2.6237,-.0546,-.7485;-3.683,-.0391,.2694;-1.7827,-1.0125,1.0936;-2.506,-.9637,-1.3495;-2.4839,.8532,-1.3466;-1.7614,.8449,1.1232;-4.1906,-.9644,.5467;-4.167,.9002,.5426;.0894,-.0457,.0708;.4741,1.3076,-.529;.9638,-.1057,1.3277;.5928,-1.0956,-.769;2.0304,1.2378,-.3211;.1963,1.4013,-1.5888;.0261,2.1548,.0197;2.2613,-.0585,.5125;.8399,-1.0343,1.9057;.8242,.7573,1.9979;2.0448,-1.3111,-.3767;.2683,-1.1944,-1.8104;2.5742,1.209,-1.2778;2.3961,2.1142,.235;3.2078,-.0535,1.0745;2.2479,-2.2359,.197;2.6977,-1.3379,-1.2645; Gaussian 16 GINC-N7637 ZW519 B-TS-cyclopropane-ABO-fo_tight_redo ES64L-G16RevC.02 72 C1[X(C10H16)] 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 0 120.107 AuxInfo=1/0/N:1;2;3;10;11;12;13;14;17;20;4;5;6;7;8;9;15;16;18;19;21;22;23;24;25;26/rA:26nC0C0C0H0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.881,-.0749,.5474;-2.6237,-.0546,-.7485;-3.683,-.0391,.2694;-1.7827,-1.0125,1.0936;-2.506,-.9637,-1.3495;-2.4839,.8532,-1.3466;-1.7614,.8449,1.1232;-4.1906,-.9644,.5467;-4.167,.9002,.5426;.0894,-.0457,.0708;.4741,1.3076,-.529;.9638,-.1057,1.3277;.5928,-1.0956,-.769;2.0304,1.2378,-.3211;.1963,1.4013,-1.5888;.0261,2.1548,.0197;2.2613,-.0585,.5125;.8399,-1.0343,1.9057;.8242,.7573,1.9979;2.0448,-1.3111,-.3767;.2683,-1.1944,-1.8104;2.5742,1.209,-1.2778;2.3961,2.1142,.235;3.2078,-.0535,1.0745;2.2479,-2.2359,.197;2.6977,-1.3379,-1.2645; B-TS-cyclopropane-ABO-fo_tight_redo 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 12 12 12 1 1 1 1 1 1 12 12 12 12 12 1 1 12 1 1 12 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 1 1 1 1 1 1 0 0 0 0 0 1 1 0 1 1 0 1 1 1 1 1 1 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /u/local/apps/gaussian/G16_C02/g16_avx2/l101.exe) Structure from the checkpoint file: "/work/9525085.1.houk_pod_gold.q/Gau-14629.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 1 1 1 1 1 2 2 2 3 3 10 10 10 11 11 11 12 12 12 13 13 14 14 14 17 17 20 20 2 3 4 7 10 3 5 6 8 9 11 12 13 14 15 16 17 18 19 20 21 17 22 23 20 24 25 26 1.4937 1.8236 1.0895 1.0917 2.0275 1.4692 1.0963 1.096 1.0912 1.0915 1.5294 1.5323 1.4356 1.5717 1.0996 1.1043 1.5331 1.1007 1.1015 1.5195 1.0952 1.5584 1.1009 1.1005 1.5513 1.1007 1.1071 1.1024 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 2 3 3 3 4 4 7 1 1 3 3 5 1 1 2 2 8 1 1 1 11 11 12 10 10 10 14 14 15 10 10 10 17 17 18 10 10 20 11 11 11 17 17 22 12 12 12 14 14 20 13 13 13 17 17 25 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 17 17 17 17 17 17 20 20 20 20 20 20 4 7 10 4 7 10 7 10 10 5 6 5 6 6 8 9 8 9 9 11 12 13 12 13 13 14 15 16 15 16 16 17 18 19 18 19 19 20 21 21 17 22 23 22 23 23 14 20 24 20 24 24 17 25 26 25 26 26 119.4381 120.0392 106.2039 100.5148 99.9162 157.5492 116.7914 92.4339 90.3054 114.2688 114.9161 117.7747 117.4723 111.9624 113.8508 114.6418 120.1748 120.1464 117.3729 110.4484 111.1742 117.8892 102.2876 109.2379 104.544 99.0849 112.9456 112.4538 112.4225 111.7175 108.1199 92.6106 113.5476 113.3282 113.6076 113.9945 109.1001 106.7237 121.2212 121.0486 104.741 112.0456 111.1366 111.7102 110.0541 107.2038 100.6393 99.3119 117.1483 110.1436 113.3777 114.6027 99.6053 115.3133 111.1939 110.6002 113.4902 106.7619 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 4 4 7 7 10 10 4 4 7 7 10 10 2 2 2 3 3 3 4 4 4 7 7 7 5 5 6 6 1 1 1 12 12 12 13 13 13 1 1 1 11 11 11 13 13 13 1 1 11 11 12 12 10 10 10 15 15 15 16 16 16 10 10 10 18 18 18 19 19 19 10 10 10 21 21 21 11 11 11 22 22 22 23 23 23 12 12 12 14 14 14 24 24 24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 2 2 2 2 2 2 3 3 3 3 3 3 10 10 10 10 10 10 10 10 10 10 10 10 3 3 3 3 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 5 6 5 6 5 6 8 9 8 9 8 9 11 12 13 11 12 13 11 12 13 11 12 13 8 9 8 9 14 15 16 14 15 16 14 15 16 17 18 19 17 18 19 17 18 19 20 21 20 21 20 21 17 22 23 17 22 23 17 22 23 14 20 24 14 20 24 14 20 24 17 25 26 17 25 26 12 20 24 12 20 24 12 20 24 13 25 26 13 25 26 13 25 26 -34.9737 -166.4105 167.476 36.0391 67.4289 -64.0079 -8.7117 130.391 -128.569 10.5336 115.5026 -105.3948 68.8455 -178.3242 -57.6806 64.9566 177.7869 -61.5695 -169.5112 -56.6809 63.9627 -52.6787 60.1516 -179.2048 12.0116 -150.2966 150.6254 -11.6828 161.1219 -79.7237 42.9866 42.714 161.8685 -75.4212 -67.6646 51.4898 174.2001 -179.8836 62.9117 -62.3043 -61.9913 -179.1961 55.5879 51.8928 -65.3119 169.4721 -149.779 65.942 83.1114 -61.1676 -25.7577 -170.0366 -6.563 114.717 -125.3707 -126.1062 -4.8262 115.0861 112.1246 -126.5955 -6.6831 54.9159 -57.7824 178.2862 172.0697 59.3714 -64.5599 -62.0975 -174.7959 61.2728 -11.6276 106.7182 -131.5752 132.7262 -108.928 12.7786 -31.1627 72.9762 -157.1073 -152.6634 -48.5246 81.392 88.3737 -167.4875 -37.5709 44.488 -77.3068 162.7398 -60.548 177.6572 57.7038 170.1948 48.4 -71.5534 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. -0.12252 0.00049 0.00285 0.00370 0.00533 0.01135 0.01157 0.01441 0.01487 0.01519 0.01622 0.01937 0.02096 0.02505 0.02887 0.02975 0.03227 0.03808 0.03930 0.04027 0.04081 0.04264 0.04322 0.04508 0.04567 0.04861 0.04989 0.05398 0.05610 0.05692 0.06012 0.06238 0.06419 0.06476 0.06726 0.07044 0.07643 0.07978 0.08284 0.08590 0.08852 0.09872 0.10181 0.10912 0.11785 0.17579 0.20193 0.21261 0.21873 0.22045 0.24073 0.26703 0.28053 0.29340 0.32147 0.32391 0.32662 0.33303 0.33738 0.33911 0.33999 0.34103 0.34215 0.34296 0.34451 0.35102 0.35331 0.35700 0.36350 0.36637 0.36760 0.36974 R5 R2 D4 D1 R13 1 -0.65363 0.58386 0.18887 -0.18463 0.12213 D25 D28 A3 D3 D2 Angle between quadratic step and forces= 74.64 degrees. 1 2 0.00000509 0.00000000 0.00000000 0.00000000 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 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 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 2.82270 3.44609 2.05894 2.06297 3.83133 2.77629 2.07164 2.07119 2.06206 2.06261 2.89018 2.89570 2.71288 2.97002 2.07802 2.08688 2.89719 2.08011 2.08157 2.87138 2.06963 2.94489 2.08040 2.07970 2.93151 2.08012 2.09211 2.08322 2.08459 2.09508 1.85361 1.75431 1.74387 2.74975 2.03839 1.61328 1.57613 1.99437 2.00566 2.05556 2.05028 1.95411 1.98707 2.00088 2.09745 2.09695 2.04854 1.92769 1.94036 2.05756 1.78525 1.90656 1.82464 1.72936 1.97127 1.96269 1.96214 1.94984 1.88705 1.61636 1.98178 1.97795 1.98283 1.98958 1.90416 1.86268 2.11571 2.11270 1.82808 1.95556 1.93970 1.94971 1.92081 1.87106 1.75649 1.73332 2.04462 1.92237 1.97881 2.00019 1.73844 2.01260 1.94070 1.93034 1.98078 1.86335 -0.61041 -2.90441 2.92301 0.62900 1.17686 -1.11715 -0.15205 2.27575 -2.24395 0.18385 2.01590 -1.83949 1.20158 -3.11234 -1.00672 1.13371 3.10297 -1.07459 -2.95853 -0.98927 1.11636 -0.91942 1.04984 -3.12771 0.20964 -2.62317 2.62891 -0.20390 2.81211 -1.39144 0.75026 0.74550 2.82514 -1.31635 -1.18097 0.89867 3.04037 -3.13956 1.09802 -1.08742 -1.08195 -3.12756 0.97019 0.90570 -1.13991 2.95785 -2.61414 1.15091 1.45057 -1.06758 -0.44956 -2.96770 -0.11455 2.00219 -2.18813 -2.20097 -0.08423 2.00863 1.95694 -2.20951 -0.11664 0.95846 -1.00849 3.11168 3.00318 1.03623 -1.12678 -1.08381 -3.05076 1.06941 -0.20294 1.86258 -2.29642 2.31651 -1.90115 0.22303 -0.54389 1.27367 -2.74204 -2.66448 -0.84691 1.42056 1.54241 -2.92321 -0.65574 0.77646 -1.34926 2.84035 -1.05676 3.10070 1.00712 2.97046 0.84474 -1.24884 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 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 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 2.82270 3.44609 2.05894 2.06296 3.83133 2.77629 2.07164 2.07119 2.06206 2.06261 2.89018 2.89570 2.71288 2.97002 2.07802 2.08688 2.89719 2.08011 2.08157 2.87138 2.06963 2.94489 2.08040 2.07970 2.93151 2.08012 2.09211 2.08322 2.08459 2.09508 1.85361 1.75431 1.74387 2.74975 2.03839 1.61328 1.57613 1.99437 2.00566 2.05556 2.05028 1.95411 1.98707 2.00088 2.09745 2.09695 2.04854 1.92769 1.94036 2.05756 1.78525 1.90656 1.82464 1.72936 1.97127 1.96269 1.96214 1.94984 1.88705 1.61636 1.98178 1.97795 1.98283 1.98958 1.90416 1.86268 2.11571 2.11270 1.82808 1.95556 1.93970 1.94971 1.92081 1.87106 1.75649 1.73332 2.04462 1.92237 1.97881 2.00019 1.73844 2.01260 1.94070 1.93034 1.98078 1.86335 -0.61041 -2.90441 2.92301 0.62900 1.17686 -1.11715 -0.15205 2.27575 -2.24395 0.18385 2.01590 -1.83949 1.20159 -3.11233 -1.00671 1.13372 3.10298 -1.07458 -2.95852 -0.98926 1.11637 -0.91941 1.04985 -3.12770 0.20964 -2.62317 2.62891 -0.20390 2.81211 -1.39144 0.75026 0.74550 2.82514 -1.31635 -1.18097 0.89867 3.04037 -3.13956 1.09802 -1.08742 -1.08195 -3.12756 0.97019 0.90570 -1.13991 2.95785 -2.61414 1.15091 1.45057 -1.06757 -0.44956 -2.96770 -0.11455 2.00219 -2.18813 -2.20097 -0.08423 2.00863 1.95694 -2.20951 -0.11664 0.95846 -1.00849 3.11168 3.00318 1.03623 -1.12678 -1.08381 -3.05076 1.06941 -0.20294 1.86258 -2.29642 2.31651 -1.90115 0.22303 -0.54389 1.27367 -2.74204 -2.66448 -0.84691 1.42056 1.54241 -2.92321 -0.65574 0.77646 -1.34926 2.84035 -1.05676 3.10070 1.00712 2.97046 0.84474 -1.24884 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000024 0.000005 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -4.135682e-13 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 1 1 1 1 1 2 2 2 3 3 10 10 10 11 11 11 12 12 12 13 13 14 14 14 17 17 20 20 2 3 4 7 10 3 5 6 8 9 11 12 13 14 15 16 17 18 19 20 21 17 22 23 20 24 25 26 1.4937 1.8236 1.0895 1.0917 2.0275 1.4692 1.0963 1.096 1.0912 1.0915 1.5294 1.5323 1.4356 1.5717 1.0996 1.1043 1.5331 1.1007 1.1015 1.5195 1.0952 1.5584 1.1009 1.1005 1.5513 1.1007 1.1071 1.1024 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 2 3 3 3 4 4 7 1 1 3 3 5 1 1 2 2 8 1 1 1 11 11 12 10 10 10 14 14 15 10 10 10 17 17 18 10 10 20 11 11 11 17 17 22 12 12 12 14 14 20 13 13 13 17 17 25 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 17 17 17 17 17 17 20 20 20 20 20 20 4 7 10 4 7 10 7 10 10 5 6 5 6 6 8 9 8 9 9 11 12 13 12 13 13 14 15 16 15 16 16 17 18 19 18 19 19 20 21 21 17 22 23 22 23 23 14 20 24 20 24 24 17 25 26 25 26 26 119.4381 120.0392 106.2039 100.5148 99.9162 157.5492 116.7914 92.4339 90.3054 114.2688 114.9161 117.7747 117.4723 111.9624 113.8508 114.6418 120.1748 120.1464 117.3729 110.4484 111.1742 117.8892 102.2876 109.2379 104.544 99.0849 112.9456 112.4538 112.4225 111.7175 108.1199 92.6106 113.5476 113.3282 113.6076 113.9945 109.1001 106.7237 121.2212 121.0486 104.741 112.0456 111.1366 111.7102 110.0541 107.2038 100.6393 99.3119 117.1483 110.1436 113.3777 114.6027 99.6053 115.3133 111.1939 110.6002 113.4902 106.7619 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 4 4 7 7 10 10 4 4 7 7 10 10 2 2 2 3 3 3 4 4 4 7 7 7 5 5 6 6 1 1 1 12 12 12 13 13 13 1 1 1 11 11 11 13 13 13 1 1 11 11 12 12 10 10 10 15 15 15 16 16 16 10 10 10 18 18 18 19 19 19 10 10 10 21 21 21 11 11 11 22 22 22 23 23 23 12 12 12 14 14 14 24 24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 2 2 2 2 2 2 3 3 3 3 3 3 10 10 10 10 10 10 10 10 10 10 10 10 3 3 3 3 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 20 5 6 5 6 5 6 8 9 8 9 8 9 11 12 13 11 12 13 11 12 13 11 12 13 8 9 8 9 14 15 16 14 15 16 14 15 16 17 18 19 17 18 19 17 18 19 20 21 20 21 20 21 17 22 23 17 22 23 17 22 23 14 20 24 14 20 24 14 20 24 17 25 26 17 25 26 12 20 24 12 20 24 12 20 24 13 25 26 13 25 26 13 25 -34.9737 -166.4105 167.476 36.0391 67.4289 -64.0079 -8.7117 130.391 -128.569 10.5336 115.5026 -105.3948 68.8455 -178.3242 -57.6806 64.9566 177.7869 -61.5695 -169.5112 -56.6809 63.9627 -52.6787 60.1516 -179.2048 12.0116 -150.2966 150.6254 -11.6828 161.1219 -79.7237 42.9866 42.714 161.8685 -75.4212 -67.6646 51.4898 174.2001 -179.8836 62.9117 -62.3043 -61.9913 -179.1961 55.5879 51.8928 -65.3119 169.4721 -149.779 65.942 83.1114 -61.1676 -25.7577 -170.0366 -6.563 114.717 -125.3707 -126.1062 -4.8262 115.0861 112.1246 -126.5955 -6.6831 54.9159 -57.7824 178.2862 172.0697 59.3714 -64.5599 -62.0975 -174.7959 61.2728 -11.6276 106.7182 -131.5752 132.7262 -108.928 12.7786 -31.1627 72.9762 -157.1073 -152.6634 -48.5246 81.392 88.3737 -167.4875 -37.5709 44.488 -77.3068 162.7398 -60.548 177.6572 57.7038 170.1948 48.4 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 230 A 220 A 220 362 230 38 38 544.2612786994 26 26 26 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 -0.0195868820 0.000000 1.493710 0.000000 1.823591 1.469151 0.000000 1.089542 2.240092 2.288615 0.000000 2.186103 1.096262 2.204821 2.548407 0.000000 2.193599 1.096028 2.201214 3.150684 1.817089 0.000000 1.091674 2.248444 2.280983 1.857715 3.152748 2.573261 0.000000 2.474964 2.227265 1.091196 2.469742 2.536534 3.130666 3.083337 0.000000 2.485281 2.227195 1.091486 3.105996 3.132683 2.530615 2.475353 1.864744 0.000000 2.027454 2.834069 3.777580 2.342070 3.097747 3.072278 2.307796 4.403296 4.385722 0.000000 2.935356 3.391094 4.442073 3.620532 3.835723 3.102347 2.817968 5.298907 4.780607 1.529417 0.000000 2.950079 4.145252 4.766222 2.901743 4.465789 4.467456 2.893452 5.283501 5.287145 1.532338 2.384259 0.000000 2.982357 3.380762 4.525056 3.019723 3.155382 3.687456 3.589940 4.962774 5.325335 1.435596 2.418043 2.348159 0.000000 4.216205 4.848998 5.883986 4.648030 5.146138 4.645237 4.076455 6.656081 6.266396 2.359732 1.571666 2.379327 2.777067 0.000000 3.325328 3.282956 4.536126 4.115563 3.598994 2.746372 3.390716 5.422366 4.881872 2.204462 1.099640 3.371433 2.657778 2.235572 0.000000 2.981101 3.534461 4.316561 3.802159 4.243975 3.140201 2.475586 5.271401 4.407913 2.202006 1.104329 2.774929 3.392378 2.230280 1.784405 0.000000 4.142545 5.045108 5.949287 4.195434 5.197462 5.177310 4.167873 6.515332 6.499537 2.216426 2.478924 1.533126 2.345613 1.558370 3.287987 3.183991 0.000000 3.188885 4.472226 4.911626 2.745522 4.668668 5.018732 3.303069 5.211324 5.538036 2.215271 3.397933 1.100746 2.686809 3.396789 4.307917 3.793364 2.216702 0.000000 3.180323 4.482066 4.892451 3.278020 5.025617 4.705077 2.730898 5.497101 5.201004 2.213191 2.609665 1.101520 3.338002 2.657674 3.697745 2.550114 2.222003 1.794015 0.000000 4.218352 4.848886 5.902767 4.111024 4.666533 5.112150 4.624374 6.312976 6.657480 2.371731 3.057403 2.350881 1.519468 2.549520 3.499028 4.030467 1.551290 2.595754 3.377382 0.000000 3.381159 3.284897 4.612247 3.559863 2.821749 3.461600 4.109011 5.048884 5.440254 2.211411 2.818521 3.393612 1.095199 3.352351 2.606112 3.824245 3.264639 3.763193 4.315160 2.285789 0.000000 4.982874 5.375374 6.565359 5.435166 5.525766 5.071078 4.969369 7.335918 6.989539 3.093141 2.231815 3.333322 3.081623 1.100902 2.405855 3.011801 2.215796 4.263256 3.741239 2.728231 3.372985 0.000000 4.814961 5.556000 6.449300 5.289209 6.001268 5.282650 4.436762 7.277386 6.681589 3.164385 2.220069 2.858982 3.816181 1.100530 2.945173 2.380152 2.194510 3.889244 2.723949 3.497195 4.433744 1.771963 0.000000 5.116068 6.109725 6.937609 5.081762 6.273049 6.251315 5.049929 7.472907 7.455217 3.275929 3.449184 2.258806 3.364926 2.236393 4.275383 4.014025 1.100750 2.694356 2.681692 2.244986 4.273681 2.743915 2.462247 0.000000 4.673436 5.420736 6.325045 4.306526 5.158435 5.857922 5.140355 6.572205 7.148858 3.077660 4.028598 2.732230 2.230009 3.518824 4.541736 4.924019 2.200157 2.519136 3.772159 1.107094 3.005489 3.761521 4.352795 2.540468 0.000000 5.083647 5.498227 6.689764 5.073521 5.217813 5.626457 5.509011 7.132303 7.443110 3.202549 3.533279 3.353309 2.176050 2.823045 3.723626 4.581015 2.232725 3.687046 4.306185 1.102393 2.494085 2.549937 3.775803 2.716782 1.773379 0.000000 C10H16 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 0 120.107 AuxInfo=1/0/N:1;2;3;10;11;12;13;14;17;20;4;5;6;7;8;9;15;16;18;19;21;22;23;24;25;26/rA:26nC0C0C0H0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.881,-.0749,.5474;-2.6237,-.0546,-.7485;-3.683,-.0392,.2694;-1.7827,-1.0125,1.0936;-2.5059,-.9638,-1.3495;-2.4839,.8532,-1.3466;-1.7614,.8449,1.1232;-4.1906,-.9644,.5467;-4.1671,.9001,.5426;.0894,-.0457,.0708;.4741,1.3076,-.529;.9638,-.1057,1.3277;.5928,-1.0956,-.769;2.0303,1.2378,-.3211;.1963,1.4013,-1.5888;.026,2.1548,.0197;2.2613,-.0585,.5125;.8399,-1.0343,1.9057;.8242,.7573,1.9979;2.0448,-1.311,-.3767;.2684,-1.1944,-1.8104;2.5742,1.2091,-1.2778;2.3961,2.1143,.235;3.2078,-.0535,1.0745;2.248,-2.2358,.197;2.6978,-1.3378,-1.2645; 2.8760332 0.8002186 0.7659294 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= 230 230 230 230 230 MxSgAt= 26 MxSgA2= 26. 1 open 1 1 1 -390.101626454333 -390.101626454 1 0.7004 3.852215364827e+02 -1.989096979907e+03 6.695321251522e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 3221225472 LenX= 3221113582 LenY= 3221060241 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7004 Using compressed storage, NAtomX= 26. Will process 27 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111 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. 7798 words used for storage of precomputed grid. Keep R1 and R2 ints in memory in canonical form, NReq=1200109596. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 24310 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 3221225472 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. There are 81 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 78 vectors produced by pass 0 Test12= 1.71D-14 1.23D-09 XBig12= 1.67D+02 5.63D+00. AX will form 78 AO Fock derivatives at one time. 78 vectors produced by pass 1 Test12= 1.71D-14 1.23D-09 XBig12= 1.13D+01 6.32D-01. 78 vectors produced by pass 2 Test12= 1.71D-14 1.23D-09 XBig12= 4.16D-01 1.37D-01. 78 vectors produced by pass 3 Test12= 1.71D-14 1.23D-09 XBig12= 6.62D-03 1.34D-02. 78 vectors produced by pass 4 Test12= 1.71D-14 1.23D-09 XBig12= 5.21D-05 6.04D-04. 78 vectors produced by pass 5 Test12= 1.71D-14 1.23D-09 XBig12= 5.13D-07 6.62D-05. 78 vectors produced by pass 6 Test12= 1.71D-14 1.23D-09 XBig12= 4.49D-09 5.65D-06. 36 vectors produced by pass 7 Test12= 1.71D-14 1.23D-09 XBig12= 2.92D-11 4.19D-07. 4 vectors produced by pass 8 Test12= 1.71D-14 1.23D-09 XBig12= 2.05D-13 3.20D-08. 2 vectors produced by pass 9 Test12= 1.71D-14 1.23D-09 XBig12= 1.55D-15 3.00D-09. InvSVY: IOpt=1 It= 1 EMax= 5.33D-15 Solved reduced A of dimension 588 with 81 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 122.09 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 176.067 -9.194 97.788 -7.818 3.283 92.416 158.261 -8.950 111.022 -7.859 4.792 107.890 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 C C C H H H H H H C C C C C H H C H H C H H H H H H 13 13 13 1 1 1 1 1 1 13 13 13 13 13 1 1 13 1 1 13 1 1 1 1 1 1 0.06788 0.00897 0.14817 0.01014 0.00083 0.00061 0.00974 -0.00527 -0.00519 0.31423 -0.08248 -0.00773 -0.21362 0.02883 0.00041 -0.00144 0.02097 0.00096 0.00021 0.05040 0.00797 -0.00032 0.00069 0.00052 -0.01628 -0.00620 38.15235 5.04243 83.28438 22.66492 1.84967 1.36951 21.76091 -11.78485 -11.59700 176.62478 -46.36200 -4.34738 -120.07463 16.20522 0.92147 -3.21093 11.78679 2.14438 0.45819 28.32858 17.80177 -0.71826 1.54831 1.15959 -36.39048 -13.85768 13.61371 1.79927 29.71794 8.08741 0.66001 0.48867 7.76483 -4.20513 -4.13810 63.02411 -16.54312 -1.55125 -42.84561 5.78243 0.32881 -1.14574 4.20582 0.76517 0.16350 10.10834 6.35211 -0.25629 0.55247 0.41377 -12.98503 -4.94476 12.72626 1.68197 27.78068 7.56020 0.61698 0.45682 7.25866 -3.93100 -3.86834 58.91568 -15.46470 -1.45013 -40.05259 5.40548 0.30737 -1.07105 3.93165 0.71529 0.15284 9.44940 5.93803 -0.23959 0.51646 0.38680 -12.13856 -4.62242 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 -0.165640 0.016437 0.162709 0.005441 -0.006449 -0.002384 0.008189 -0.005333 -0.005910 0.504021 0.022799 0.001897 0.167607 0.022826 0.005328 0.000539 0.022133 0.003813 0.001614 0.001259 0.028969 0.000924 0.001186 0.000612 -0.005750 -0.008482 0.085395 -0.034741 -0.257562 -0.007708 0.001614 -0.001230 -0.011119 0.019262 0.020147 -0.271337 -0.047921 -0.005220 -0.382640 -0.014139 -0.005101 0.002101 -0.017839 0.001373 -0.003438 -0.005594 0.018080 -0.004398 -0.000673 -0.000254 0.004526 0.004366 0.080245 0.018304 0.094852 0.002266 0.004835 0.003614 0.002930 -0.013929 -0.014237 -0.232684 0.025122 0.003323 0.215033 -0.008687 -0.000227 -0.002640 -0.004294 -0.005187 0.001824 0.004335 -0.047049 0.003474 -0.000514 -0.000358 0.001224 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 0.011368 0.000409 -0.003353 0.001335 -0.000659 0.004490 0.000693 0.025797 -0.024170 0.050398 -0.018252 -0.003952 -0.449424 0.001369 0.003800 0.004333 -0.003821 -0.002527 0.001785 -0.020079 -0.024520 -0.003173 0.000489 -0.001440 0.005105 0.000298 0.093111 0.049231 0.388847 0.007542 -0.003035 -0.001907 0.003143 0.008736 0.008993 -0.120779 0.002706 0.004604 0.214813 -0.000419 -0.002653 0.003104 -0.009860 0.001695 0.003306 0.001138 -0.028083 -0.001615 -0.000498 -0.002286 -0.007352 0.001234 -0.003837 -0.001321 -0.004219 0.000300 0.006183 -0.005205 -0.003919 -0.015542 0.014999 -0.017279 0.010628 -0.008192 0.418147 -0.004575 0.000408 -0.004708 -0.017763 -0.006003 0.000111 0.003713 0.007553 0.000280 0.000101 -0.001711 0.003559 -0.000842 0.9471 -0.0424 -0.3182 0.0404 0.9991 -0.0129 0.3184 -7.0E-4 0.9479 -0.1974 0.0859 0.1115 -26.493 11.527 14.966 -9.453 4.113 5.34 -8.837 3.845 4.992 1 C 13 -0.2413 0.939 0.2452 0.6718 0.344 -0.656 0.7003 -0.0065 0.7138 -0.0352 -0.0314 0.0666 -4.722 -4.217 8.939 -1.685 -1.505 3.19 -1.575 -1.407 2.982 2 C 13 -0.6609 0.2009 0.7231 0.1407 0.9796 -0.1436 0.7372 -0.0069 0.6757 -0.2617 -0.2574 0.5191 -35.12 -34.544 69.664 -12.532 -12.326 24.858 -11.715 -11.523 23.237 3 C 13 -0.1423 0.9869 0.0766 -0.6138 -0.1487 0.7753 0.7765 0.0633 0.6269 -0.0079 -0.0038 0.0116 -4.203 -2.007 6.21 -1.5 -0.716 2.216 -1.402 -0.67 2.071 4 H 1 0.9409 -0.1427 0.307 0.2937 0.7952 -0.5305 -0.1684 0.5893 0.7901 -0.0073 -0.0028 0.0101 -3.916 -1.469 5.385 -1.397 -0.524 1.922 -1.306 -0.49 1.796 5 H 1 -0.6306 0.7347 0.2503 0.6862 0.3771 0.622 -0.3626 -0.564 0.7419 -0.0069 -0.0016 0.0085 -3.659 -0.878 4.537 -1.306 -0.313 1.619 -1.221 -0.293 1.513 6 H 1 -0.0731 0.9619 0.2635 -0.4426 -0.2681 0.8557 0.8937 -0.0541 0.4453 -0.0122 0.0025 0.0097 -6.533 1.351 5.183 -2.331 0.482 1.849 -2.179 0.451 1.729 7 H 1 -0.6145 0.4779 0.6276 0.6227 -0.1946 0.7579 0.4843 0.8566 -0.178 -0.0343 -0.0028 0.0371 -18.31 -1.473 19.784 -6.534 -0.526 7.059 -6.108 -0.491 6.599 8 H 1 -0.6126 -0.4571 0.6449 0.6409 0.1902 0.7437 -0.4626 0.8689 0.1764 -0.0334 -0.0026 0.0361 -17.826 -1.414 19.24 -6.361 -0.504 6.865 -5.946 -0.472 6.418 9 H 1 -0.0088 0.9419 0.3358 0.171 -0.3294 0.9286 0.9852 0.0656 -0.1582 -0.278 -0.2488 0.5268 -37.301 -33.387 70.687 -13.31 -11.913 25.223 -12.442 -11.137 23.579 10 C 13 0.234 0.9625 -0.1375 -0.156 0.1768 0.9718 0.9596 -0.2059 0.1915 -0.0539 0.0266 0.0273 -7.23 3.572 3.657 -2.58 1.275 1.305 -2.412 1.192 1.22 11 C 13 0.0963 0.8668 0.4893 0.8515 0.1828 -0.4914 0.5154 -0.464 0.7205 -0.0103 -0.0016 0.0119 -1.38 -0.216 1.596 -0.492 -0.077 0.569 -0.46 -0.072 0.532 12 C 13 0.442 0.8 -0.4059 0.7889 -0.1313 0.6003 -0.4269 0.5855 0.6892 -0.8431 0.4059 0.4372 -113.134 54.464 58.671 -40.369 19.434 20.935 -37.738 18.167 19.57 13 C 13 -0.0249 0.8704 0.4918 0.0358 -0.4908 0.8705 0.999 0.0393 -0.019 -0.0168 -0.0061 0.0229 -2.249 -0.822 3.071 -0.803 -0.293 1.096 -0.75 -0.274 1.024 14 C 13 -0.3379 0.9197 -0.2 0.2274 0.286 0.9308 0.9133 0.269 -0.3058 -0.0066 -8.0E-4 0.0073 -3.514 -0.4 3.914 -1.254 -0.143 1.397 -1.172 -0.133 1.306 15 H 1 -0.4957 0.5189 0.6964 0.7186 -0.2052 0.6644 0.4877 0.8298 -0.2712 -0.0084 0.0022 0.0062 -4.459 1.158 3.301 -1.591 0.413 1.178 -1.487 0.386 1.101 16 H 1 0.1634 0.7982 0.5798 0.3092 -0.5995 0.7382 0.9368 0.0587 -0.3448 -0.0315 0.006 0.0255 -4.23 0.805 3.425 -1.509 0.287 1.222 -1.411 0.269 1.142 17 C 13 -0.0142 0.5074 0.8616 0.7683 0.557 -0.3153 -0.6399 0.6575 -0.3977 -0.0087 0.0013 0.0075 -4.668 0.686 3.982 -1.666 0.245 1.421 -1.557 0.229 1.328 18 H 1 -0.3895 0.8996 0.1976 -0.5906 -0.4085 0.696 0.7068 0.1544 0.6904 -0.0042 -0.001 0.0052 -2.234 -0.559 2.792 -0.797 -0.199 0.996 -0.745 -0.186 0.931 19 H 1 0.6358 0.7609 -0.1298 0.1681 0.0276 0.9854 0.7534 -0.6483 -0.1104 -0.023 0.0046 0.0184 -3.087 0.622 2.465 -1.101 0.222 0.88 -1.03 0.207 0.822 20 C 13 0.3147 0.0074 0.9492 0.5328 0.8262 -0.1831 0.7855 -0.5633 -0.2561 -0.0563 6.0E-4 0.0557 -30.04 0.317 29.723 -10.719 0.113 10.606 -10.02 0.106 9.914 21 H 1 0.4304 0.9014 0.0473 0.7231 -0.3757 0.5797 -0.5403 0.2153 0.8135 -0.0059 0.0013 0.0046 -3.147 0.682 2.465 -1.123 0.243 0.88 -1.05 0.227 0.822 22 H 1 -0.3076 0.7784 -0.5472 0.0665 0.5913 0.8037 0.9492 0.2109 -0.2337 -9.0E-4 -5.0E-4 0.0014 -0.5 -0.257 0.756 -0.178 -0.092 0.27 -0.167 -0.086 0.252 23 H 1 0.5296 0.5475 0.6479 -0.3227 0.8364 -0.443 0.7844 -0.0255 -0.6197 -0.0037 0.0012 0.0025 -1.96 0.644 1.315 -0.699 0.23 0.469 -0.654 0.215 0.439 24 H 1 0.7919 -0.3404 0.5069 -0.595 -0.2434 0.766 0.1374 0.9082 0.3952 -0.0127 0.0058 0.0068 -6.75 3.096 3.653 -2.408 1.105 1.304 -2.251 1.033 1.219 25 H 1 (Enter /u/local/apps/gaussian/G16_C02/g16_avx2/l716.exe) PT2107.400S 2025-06-18T20:33:51.000 -10.31621 -10.30397 -10.30121 -10.29949 -10.29724 -10.29413 -10.29210 -10.29149 -10.28411 -10.27263 -0.97337 -0.92468 -0.82446 -0.80096 -0.77587 -0.70778 -0.68296 -0.67659 -0.63105 -0.59102 -0.57963 -0.56283 -0.55880 -0.53058 -0.52071 -0.47987 -0.46952 -0.44645 -0.44334 -0.44077 -0.43423 -0.41871 -0.40965 -0.40533 -0.40032 -0.38204 -0.35991 -0.22273 0.03311 0.12827 0.14772 0.15825 0.15894 0.17980 0.18156 0.18837 0.19615 0.20537 0.21495 0.22678 0.23587 0.24127 0.25102 0.25259 0.26248 0.27879 0.27952 0.28769 0.30116 0.30598 0.31388 0.32886 0.36104 0.37137 0.39094 0.42668 0.47249 0.47960 0.50177 0.51914 0.52738 0.54685 0.55113 0.57579 0.59823 0.60763 0.62409 0.62871 0.65137 0.66660 0.67959 0.68611 0.69577 0.70787 0.72028 0.72795 0.73390 0.73880 0.74784 0.75300 0.75876 0.76174 0.76804 0.77091 0.77317 0.77678 0.78622 0.79046 0.80028 0.80995 0.81353 0.81631 0.83078 0.83453 0.85215 0.85529 0.87749 0.88898 0.91385 0.97129 0.98854 1.00448 1.02272 1.03479 1.06664 1.09016 1.13144 1.16217 1.23613 1.27024 1.30504 1.30757 1.34800 1.37129 1.40552 1.41538 1.43147 1.46040 1.48407 1.51305 1.59630 1.62342 1.64355 1.66528 1.67688 1.69900 1.71390 1.73233 1.74901 1.76109 1.77384 1.78728 1.79807 1.81176 1.82648 1.83420 1.84339 1.85201 1.85485 1.87235 1.89044 1.89456 1.90614 1.93615 1.94268 1.95583 1.95754 1.96695 1.98306 1.98912 2.00428 2.01202 2.02732 2.04184 2.07479 2.08955 2.10435 2.12042 2.13474 2.15611 2.16185 2.18802 2.19928 2.20479 2.22932 2.23600 2.26060 2.26867 2.30165 2.33638 2.34252 2.37964 2.39116 2.42028 2.43197 2.46331 2.47325 2.48981 2.49806 2.51134 2.51310 2.54876 2.62422 2.64373 2.67986 2.68321 2.71456 2.73165 2.77152 2.78009 2.80087 2.81056 2.87756 2.88600 2.92184 2.93120 2.94380 2.96452 3.00378 3.00712 3.02598 3.05142 3.07624 3.09433 3.10232 3.12696 3.15330 3.19346 3.20865 3.26143 -10.31783 -10.30348 -10.29719 -10.29553 -10.29498 -10.29169 -10.29124 -10.29105 -10.28433 -10.28230 -0.97307 -0.91741 -0.82811 -0.80081 -0.77872 -0.70308 -0.68257 -0.67462 -0.63185 -0.59719 -0.57730 -0.56034 -0.55166 -0.53554 -0.51699 -0.48161 -0.46695 -0.44829 -0.44213 -0.43841 -0.43454 -0.41909 -0.41262 -0.40800 -0.40221 -0.38149 -0.33409 -0.25393 0.03018 0.12895 0.14892 0.15795 0.15939 0.17934 0.18123 0.19022 0.19527 0.21446 0.22128 0.22746 0.23547 0.24057 0.25061 0.25344 0.26264 0.27997 0.28233 0.28730 0.30423 0.30750 0.31518 0.32769 0.36163 0.37118 0.39377 0.42461 0.47209 0.48077 0.50041 0.51802 0.52602 0.54578 0.55199 0.57584 0.59182 0.61003 0.62214 0.63370 0.65488 0.66813 0.68282 0.68508 0.68968 0.70639 0.72019 0.72695 0.73578 0.73895 0.75036 0.75282 0.75788 0.76042 0.77087 0.77294 0.77318 0.77630 0.78657 0.79152 0.79978 0.80922 0.81438 0.81588 0.82824 0.83375 0.85367 0.85420 0.87773 0.88954 0.91451 0.97064 0.98985 1.01039 1.02508 1.03253 1.06697 1.09483 1.13248 1.16339 1.23666 1.26993 1.30529 1.30736 1.35165 1.37749 1.40542 1.41537 1.43232 1.46369 1.47957 1.51041 1.59497 1.62309 1.64360 1.66570 1.67787 1.69977 1.71395 1.73294 1.75146 1.76847 1.77243 1.78785 1.79782 1.81256 1.82658 1.83505 1.84569 1.85308 1.85460 1.86934 1.89090 1.89810 1.90339 1.93681 1.94187 1.95588 1.95857 1.96642 1.97998 1.98889 2.00291 2.01301 2.02304 2.03725 2.07392 2.08781 2.10384 2.12110 2.13433 2.15760 2.15980 2.18603 2.20089 2.21280 2.22254 2.23385 2.26145 2.26816 2.29903 2.33298 2.33948 2.37714 2.39099 2.42287 2.43913 2.46281 2.47570 2.48632 2.50183 2.51282 2.51497 2.55183 2.62172 2.64420 2.67740 2.68659 2.71165 2.73294 2.77152 2.78190 2.79780 2.81393 2.87788 2.88799 2.92378 2.93265 2.94523 2.96540 3.00460 3.00784 3.02964 3.05086 3.07497 3.09580 3.10545 3.12626 3.15417 3.19356 3.20199 3.26510 1-A. -1.98539509e-02 1.99736506e-01 6.22159042e-03 1.76066998e+02 -9.19439680e+00 9.77878438e+01 -7.81832880e+00 3.28287326e+00 9.24161919e+01 -1137.9267 -10.7370 -5.5927 -2.1516 -0.0008 -0.0006 -0.0005 44.8702 104.6107 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -1137.9267 44.8309 104.6039 113.1362 198.3318 219.3626 260.9930 284.2599 360.0510 411.7875 486.6236 572.7949 649.0849 679.7784 716.4191 763.1939 782.2295 803.4865 819.2389 829.9430 830.4988 882.2277 916.4898 925.8527 951.6112 969.5170 974.7947 987.3568 1001.4958 1040.6872 1045.6512 1054.0925 1079.3219 1120.0110 1132.6122 1160.5923 1172.0239 1178.3139 1196.6510 1216.2272 1221.5040 1239.6155 1244.5203 1268.0234 1279.4276 1313.8599 1322.2414 1328.7399 1362.1414 1419.8210 1438.5647 1453.5676 1465.6158 1476.4387 1492.8801 1498.5214 3013.8785 3038.9635 3069.4316 3074.0569 3091.0449 3104.9712 3111.2996 3123.2152 3134.3761 3138.1456 3161.7607 3168.4562 3177.1360 3197.4044 3284.2499 3290.1802 8.0686 2.2453 3.1635 2.4300 4.4175 2.0369 2.2847 3.1758 1.7943 2.1601 1.8117 3.5306 1.6298 1.0750 2.7239 1.0710 4.3098 1.1876 1.5028 1.1054 2.1884 2.5260 1.7564 2.3320 1.7164 2.0409 1.9337 1.8753 1.8704 1.9525 1.5319 1.1801 1.1774 1.3405 1.1120 1.6155 1.7309 1.5651 1.4680 1.9821 1.1975 1.4919 1.5485 1.5828 1.6675 1.6397 1.6136 1.6809 2.0646 1.1715 1.1052 1.0941 1.0886 1.1102 1.3554 1.1158 1.0679 1.0662 1.0603 1.0630 1.0977 1.0888 1.0588 1.1036 1.1092 1.1069 1.0530 1.0548 1.0897 1.1162 1.1235 1.1205 6.1557 0.0027 0.0204 0.0183 0.1024 0.0577 0.0917 0.1512 0.1371 0.2158 0.2528 0.6825 0.4046 0.2927 0.8237 0.3676 1.5537 0.4517 0.5943 0.4486 0.8893 1.1584 0.8692 1.1778 0.9158 1.1303 1.0826 1.0771 1.1053 1.2459 0.9869 0.7725 0.8081 0.9908 0.8405 1.2821 1.4009 1.2803 1.2385 1.7274 1.0527 1.3507 1.4131 1.4994 1.6082 1.6677 1.6622 1.7486 2.2570 1.3914 1.3475 1.3620 1.3777 1.4258 1.7798 1.4762 5.7150 5.8016 5.8857 5.9185 6.1793 6.1847 6.0388 6.3425 6.4204 6.4224 6.2022 6.2389 6.4807 6.7232 7.1399 7.1467 8.8020 0.0298 0.1036 0.0373 3.0664 0.2733 1.5023 0.8689 0.3891 0.4965 0.1740 1.6482 43.5032 0.5883 18.0233 2.0126 7.0114 41.6069 5.1331 0.1382 5.6241 11.2250 4.4287 1.2662 4.1860 3.8533 28.6545 24.2144 20.6105 8.9590 2.2414 0.2723 0.1724 1.4085 1.7005 1.3135 2.6056 0.0887 5.3384 15.8098 0.8628 2.7977 1.9495 6.4763 2.5035 4.1443 0.2991 8.9796 2.0410 3.1820 8.1016 1.8462 2.5564 4.6345 0.3386 0.5919 67.6752 31.0355 28.9068 34.4316 20.7029 88.1816 11.7270 3.3528 15.8809 37.7077 1.5454 2.9355 18.9617 5.1612 0.9043 3.8879 0.64 -0.01 -0.15 -0.03 0.00 0.12 -0.26 0.00 -0.11 -0.31 0.03 0.14 -0.04 0.01 0.08 -0.03 -0.01 0.09 -0.34 -0.04 0.15 -0.07 -0.03 0.08 -0.07 0.04 0.07 -0.29 0.04 0.13 0.04 -0.02 0.01 -0.02 0.00 -0.00 0.01 -0.05 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.03 -0.02 -0.01 -0.01 0.01 -0.00 0.01 0.00 0.01 0.02 -0.00 0.02 0.00 0.04 -0.03 -0.09 -0.18 0.03 0.02 -0.00 0.01 0.01 -0.00 -0.01 -0.02 -0.03 -0.00 -0.10 0.03 -0.01 0.07 0.00 0.02 0.00 -0.13 -0.01 -0.01 0.22 0.00 0.00 0.03 0.01 -0.04 -0.27 -0.23 -0.07 0.37 -0.22 0.04 0.36 0.23 0.05 -0.27 0.21 -0.05 -0.01 -0.21 0.06 -0.01 0.25 0.00 -0.07 -0.01 -0.06 -0.07 -0.05 -0.00 0.01 0.00 0.06 -0.08 0.03 -0.06 0.01 -0.04 -0.06 -0.13 -0.06 -0.11 -0.08 -0.08 0.00 0.05 0.01 0.04 0.03 0.03 -0.05 0.03 -0.03 0.07 0.01 0.05 0.07 -0.14 0.04 -0.05 0.01 -0.03 -0.11 0.05 -0.07 -0.00 0.12 0.01 0.12 0.04 0.08 0.07 0.02 0.05 0.04 0.01 -0.07 -0.16 0.00 0.04 -0.01 -0.04 0.19 0.11 0.01 -0.08 -0.22 0.01 0.01 -0.27 0.01 0.03 0.08 0.01 -0.09 0.07 -0.06 0.27 0.01 -0.06 0.28 0.01 0.02 -0.16 0.10 0.02 -0.12 -0.14 0.00 -0.06 0.09 0.02 -0.11 0.07 -0.00 0.08 0.23 0.02 -0.15 0.04 0.02 -0.17 -0.04 -0.01 0.10 -0.23 0.00 -0.08 -0.21 0.00 -0.08 0.04 -0.01 0.07 0.22 0.04 -0.15 0.20 0.00 0.15 0.01 -0.01 0.14 -0.11 -0.03 0.21 -0.05 -0.01 0.10 0.15 -0.02 0.15 0.01 -0.02 -0.01 -0.01 -0.11 0.00 0.01 0.23 0.02 -0.08 0.04 0.10 -0.17 -0.23 0.16 0.12 -0.24 -0.16 0.10 0.04 -0.12 -0.16 0.37 0.17 0.20 0.37 -0.11 0.00 -0.10 -0.02 -0.07 -0.07 0.01 -0.01 -0.07 -0.01 0.07 -0.05 -0.03 -0.08 0.05 0.06 -0.05 -0.08 -0.00 -0.16 -0.10 -0.01 -0.00 0.04 0.01 0.04 -0.10 -0.04 -0.08 -0.10 0.02 0.09 0.06 -0.04 0.08 -0.06 -0.03 -0.04 0.14 0.08 -0.17 0.06 0.11 -0.01 0.08 0.02 0.18 0.05 -0.08 0.09 0.15 -0.04 0.16 -0.01 0.08 0.28 0.00 0.02 0.30 -0.00 0.03 0.19 -0.02 0.06 0.33 -0.00 0.03 0.32 0.01 0.04 0.19 -0.02 0.09 0.27 0.00 -0.01 0.27 -0.00 -0.01 -0.08 0.01 -0.07 -0.09 0.01 -0.05 -0.16 0.00 -0.03 -0.08 0.02 -0.06 -0.10 0.00 0.02 -0.04 0.00 -0.07 -0.13 0.01 -0.08 -0.13 -0.01 0.03 -0.21 0.01 -0.04 -0.20 0.01 -0.05 -0.12 -0.02 0.03 0.01 0.11 -0.10 -0.06 0.01 0.05 -0.13 -0.01 0.05 -0.15 -0.01 0.06 -0.18 -0.01 0.07 -0.06 -0.06 0.08 -0.02 0.16 0.04 0.02 0.06 0.01 0.00 -0.08 -0.01 0.01 0.22 0.12 0.16 0.09 0.00 -0.08 0.09 0.03 -0.04 0.22 -0.05 0.15 -0.16 -0.00 -0.17 -0.15 -0.05 -0.01 -0.04 0.02 0.01 -0.09 -0.10 0.01 -0.03 0.00 -0.04 -0.09 0.05 -0.01 0.04 0.10 0.14 -0.27 -0.15 -0.10 -0.03 -0.29 -0.00 -0.00 -0.00 0.01 -0.04 -0.01 0.01 -0.04 0.01 0.02 0.05 -0.08 -0.12 -0.19 0.09 0.15 0.24 0.19 -0.20 0.01 0.28 0.00 -0.04 -0.01 0.19 0.01 -0.19 -0.06 0.20 -0.15 0.03 0.20 -0.03 -0.01 0.06 -0.02 0.01 -0.05 0.01 0.02 0.27 0.09 0.10 0.07 -0.01 -0.16 0.08 -0.02 0.02 0.28 -0.15 0.21 -0.13 0.10 -0.16 -0.13 -0.03 0.00 -0.08 -0.01 -0.09 -0.02 0.10 -0.01 -0.08 -0.00 0.09 -0.01 -0.05 -0.08 -0.04 -0.08 -0.23 0.13 0.15 -0.04 -0.11 0.29 -0.00 0.02 0.01 0.05 -0.12 -0.04 -0.09 -0.12 0.04 0.07 -0.02 0.06 0.20 0.08 -0.09 -0.23 -0.19 -0.16 0.04 0.02 -0.26 -0.01 0.11 0.02 0.01 0.01 0.13 0.14 -0.08 0.11 -0.06 0.00 0.24 0.09 0.00 0.17 -0.18 0.01 -0.13 -0.13 0.01 0.26 0.24 0.01 0.19 0.24 -0.00 0.19 -0.11 0.00 0.25 -0.21 0.00 -0.21 -0.22 0.01 -0.22 0.01 -0.02 -0.07 0.01 -0.02 -0.08 -0.03 -0.02 -0.05 0.09 0.07 -0.12 0.02 -0.02 -0.02 0.06 -0.04 -0.09 0.00 0.00 -0.12 0.00 0.00 0.02 -0.05 -0.03 -0.07 -0.08 -0.04 -0.05 0.05 -0.02 0.03 0.25 0.24 -0.19 0.05 -0.03 -0.00 -0.01 -0.00 -0.03 -0.02 0.03 0.06 -0.09 -0.00 0.10 0.14 -0.10 0.10 -0.03 -0.01 0.04 0.02 -0.00 0.01 0.01 0.00 0.00 -0.01 -0.02 0.02 0.03 -0.01 0.02 0.05 -0.00 0.02 -0.02 -0.02 0.04 -0.02 0.01 -0.04 0.02 0.01 -0.01 -0.04 0.01 -0.01 0.06 0.01 0.01 -0.10 -0.01 0.01 -0.01 -0.04 0.03 0.06 -0.09 -0.07 0.00 0.10 0.03 0.15 0.00 0.10 -0.05 0.01 0.09 -0.13 -0.03 -0.02 -0.14 -0.03 0.03 0.06 0.13 -0.07 -0.11 -0.22 0.08 -0.03 -0.39 -0.11 0.21 0.01 -0.33 -0.09 -0.01 0.15 0.27 0.02 -0.33 -0.01 0.46 -0.14 -0.00 -0.00 -0.04 -0.02 -0.00 -0.03 0.03 0.00 0.02 -0.01 -0.01 -0.04 -0.04 -0.00 -0.04 -0.05 0.00 -0.04 -0.01 -0.00 -0.03 0.03 0.01 0.04 0.04 0.00 0.04 -0.01 -0.00 0.13 -0.01 -0.12 -0.08 0.03 -0.03 0.11 0.01 0.17 -0.04 -0.02 -0.08 -0.04 0.02 -0.42 -0.12 -0.03 0.04 -0.34 0.00 -0.01 0.06 0.06 -0.04 0.09 0.06 -0.04 0.14 -0.02 0.06 -0.03 0.15 0.63 -0.13 0.00 -0.18 -0.02 -0.05 -0.01 -0.14 0.03 0.00 0.01 -0.10 -0.01 -0.11 0.02 0.12 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.02 0.03 0.03 0.01 0.01 -0.00 -0.01 0.01 0.01 0.02 0.03 -0.03 0.02 -0.01 0.02 -0.03 -0.01 -0.02 0.00 -0.06 -0.01 -0.04 -0.04 0.06 -0.01 0.19 0.01 0.04 -0.00 -0.06 -0.02 -0.06 0.05 -0.05 0.06 0.07 -0.05 -0.10 0.15 -0.00 -0.08 0.01 -0.10 0.44 0.41 0.08 0.49 -0.35 0.03 -0.03 -0.07 0.06 0.11 -0.08 -0.03 0.02 0.05 -0.03 -0.10 0.12 -0.00 -0.09 0.01 0.06 -0.10 -0.20 0.04 0.13 -0.07 0.03 0.01 -0.01 0.00 -0.00 0.01 -0.02 0.00 -0.01 0.07 -0.00 -0.04 -0.01 -0.01 0.03 -0.01 -0.02 -0.02 -0.01 -0.01 0.02 -0.04 0.01 -0.02 0.01 0.01 0.01 0.05 0.17 -0.01 -0.14 0.17 -0.09 0.01 -0.03 0.01 0.13 0.11 0.11 -0.16 -0.09 0.01 -0.05 -0.01 -0.13 -0.16 0.26 -0.24 -0.01 -0.17 0.02 -0.27 -0.08 -0.12 0.23 -0.08 0.12 0.13 -0.13 -0.01 -0.08 -0.31 0.22 -0.17 -0.04 0.01 -0.07 -0.17 0.07 0.00 0.01 0.00 0.25 -0.24 -0.24 0.03 0.12 -0.10 0.06 -0.01 -0.02 -0.01 -0.00 0.03 -0.05 0.01 -0.03 0.06 -0.04 -0.07 0.03 0.02 -0.00 -0.05 0.02 0.05 0.10 -0.04 0.02 0.08 0.00 0.16 -0.09 0.01 -0.09 0.11 0.00 -0.05 -0.01 0.04 -0.02 -0.01 0.00 0.01 -0.09 -0.10 0.08 -0.02 0.03 -0.01 -0.03 0.10 -0.01 -0.03 -0.02 0.05 -0.01 0.00 0.02 -0.05 -0.03 -0.05 -0.05 -0.03 0.04 -0.02 -0.04 0.02 0.36 0.68 -0.14 -0.02 0.00 -0.01 -0.00 0.03 -0.02 0.01 0.04 -0.00 0.30 -0.07 -0.15 -0.22 0.21 -0.13 0.01 0.05 -0.00 -0.00 0.02 0.00 -0.01 -0.04 -0.00 0.14 0.06 -0.03 -0.06 -0.14 0.24 0.06 -0.14 -0.24 -0.13 0.06 0.03 -0.36 -0.00 -0.50 0.36 -0.01 0.50 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.00 0.00 -0.00 -0.01 0.02 0.01 0.00 -0.02 0.02 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.08 0.13 -0.03 0.00 0.02 -0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.00 0.05 -0.01 -0.01 -0.02 0.02 -0.02 0.07 0.00 -0.03 0.01 0.00 0.05 -0.06 -0.00 -0.02 0.18 0.02 -0.03 -0.05 -0.00 0.04 -0.00 -0.02 0.01 0.18 0.03 -0.10 -0.10 -0.01 -0.12 -0.06 -0.01 0.01 0.20 -0.02 -0.09 -0.05 0.01 -0.03 0.10 -0.01 0.11 -0.06 -0.02 -0.14 -0.05 0.03 0.04 0.05 -0.09 -0.06 -0.21 -0.03 -0.09 0.02 0.02 0.14 0.05 0.01 0.12 -0.05 0.03 0.03 -0.13 0.04 -0.00 -0.36 -0.45 0.00 -0.18 -0.29 -0.02 0.09 0.16 -0.26 0.11 -0.06 0.00 -0.23 -0.03 -0.08 -0.03 0.08 0.07 -0.00 0.05 0.00 -0.00 0.03 -0.00 0.00 0.00 -0.00 0.06 -0.22 -0.48 0.21 -0.16 0.31 -0.21 -0.15 -0.32 -0.07 -0.24 0.49 0.09 0.01 0.17 -0.07 0.01 -0.15 -0.01 0.01 -0.01 -0.01 -0.02 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.02 0.01 -0.01 -0.01 0.01 -0.01 -0.03 0.01 0.01 0.00 0.01 0.01 0.01 -0.00 0.02 0.01 -0.02 0.00 0.02 0.01 -0.01 -0.05 -0.01 -0.01 -0.02 0.01 -0.01 -0.01 0.00 0.01 -0.01 0.01 -0.02 0.02 0.02 0.02 0.00 0.02 0.02 0.01 -0.01 0.00 0.01 0.02 -0.01 0.00 0.02 0.07 -0.07 -0.16 0.03 -0.04 0.10 -0.07 -0.05 -0.09 0.06 -0.06 0.10 -0.06 0.00 -0.07 -0.13 -0.00 -0.16 0.12 -0.04 0.12 0.11 0.02 0.03 -0.20 -0.02 0.21 0.10 -0.01 -0.03 0.05 0.23 -0.12 -0.03 -0.25 0.05 -0.02 0.05 -0.12 -0.16 0.02 -0.07 -0.16 0.02 0.27 -0.25 0.05 0.11 0.04 -0.20 -0.14 -0.19 -0.06 0.07 0.01 0.19 -0.14 0.12 0.20 -0.11 -0.16 0.03 -0.06 -0.02 -0.18 -0.07 0.11 -0.23 -0.09 -0.05 0.00 0.01 0.03 -0.00 -0.01 -0.05 -0.00 -0.09 -0.11 0.01 0.04 0.06 0.00 -0.01 0.05 0.00 0.00 -0.11 -0.00 0.03 0.34 -0.02 0.55 0.37 0.02 0.55 -0.01 -0.01 0.01 -0.00 0.02 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.04 0.02 0.10 -0.08 -0.02 -0.09 0.05 -0.11 0.00 -0.00 0.01 -0.00 0.02 0.04 0.00 0.02 -0.03 0.01 -0.02 -0.02 -0.01 -0.02 -0.01 -0.10 -0.08 -0.04 0.12 0.06 -0.10 -0.01 -0.02 0.03 -0.01 -0.01 0.00 0.02 -0.05 -0.01 -0.00 0.00 -0.01 0.02 -0.00 0.01 -0.04 -0.00 -0.04 0.06 -0.01 -0.03 0.05 0.02 -0.01 -0.00 0.01 0.03 0.04 0.00 -0.02 0.07 0.01 0.21 0.14 0.03 0.17 0.06 0.01 -0.01 0.04 -0.02 -0.05 0.01 0.01 0.10 0.02 0.01 -0.03 -0.03 -0.08 -0.07 -0.26 0.25 0.05 0.30 -0.09 0.27 -0.07 0.01 -0.03 0.05 -0.05 0.01 -0.02 -0.05 0.16 -0.03 0.04 0.03 -0.07 -0.13 0.01 0.32 0.24 0.12 -0.34 -0.18 0.29 0.01 0.07 -0.18 -0.01 0.02 -0.01 0.04 0.14 0.08 -0.00 -0.03 0.00 -0.00 0.03 -0.00 0.00 0.06 -0.00 -0.07 -0.01 0.05 -0.32 -0.16 0.22 0.32 -0.17 -0.23 0.04 -0.01 -0.04 0.46 -0.24 -0.18 -0.45 -0.23 0.20 -0.01 -0.01 -0.00 0.01 0.02 -0.01 0.01 -0.00 0.02 0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.05 0.03 -0.01 0.02 0.04 -0.02 -0.02 0.00 -0.02 0.04 0.00 0.03 0.03 0.00 0.02 0.00 0.01 0.00 0.02 0.01 -0.02 -0.00 -0.02 0.01 0.01 -0.04 0.02 -0.00 0.02 -0.05 0.02 0.03 0.03 0.03 0.01 0.02 -0.02 0.01 0.02 -0.02 -0.01 -0.02 0.03 -0.02 0.02 -0.06 0.00 0.01 0.10 0.04 -0.07 -0.10 0.05 0.05 -0.07 -0.01 0.06 -0.17 0.08 -0.02 0.09 0.06 -0.15 -0.05 -0.02 -0.00 0.08 0.14 -0.02 0.07 -0.03 0.11 -0.01 -0.12 -0.06 -0.09 -0.05 0.06 0.34 0.07 -0.09 0.01 0.23 -0.21 -0.12 0.00 -0.08 0.20 0.04 0.24 0.23 0.06 0.03 0.04 0.05 0.00 0.19 0.07 -0.15 -0.15 -0.21 0.03 0.19 -0.14 0.01 -0.02 0.07 -0.26 0.06 0.18 0.20 0.21 -0.01 0.13 0.03 -0.00 -0.03 0.03 -0.00 0.05 -0.07 0.00 -0.02 0.30 -0.02 -0.12 -0.00 0.01 0.01 0.03 -0.00 0.04 0.27 0.03 -0.14 -0.02 -0.00 0.05 -0.01 0.01 0.06 0.14 0.04 0.00 0.07 -0.09 0.11 -0.10 0.01 -0.08 0.01 0.05 0.08 -0.07 -0.11 0.07 0.24 -0.32 0.06 -0.05 -0.02 -0.10 -0.05 0.03 -0.14 -0.22 0.01 -0.12 -0.14 0.04 -0.14 0.01 0.10 -0.02 -0.14 0.05 0.14 -0.22 -0.13 -0.01 0.08 -0.17 0.05 -0.01 0.08 -0.22 -0.02 0.27 0.27 0.01 -0.17 -0.00 0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 -0.00 0.03 -0.00 -0.03 0.04 -0.00 0.02 -0.00 -0.01 -0.01 0.07 -0.00 -0.02 -0.02 0.00 0.00 0.01 0.00 0.00 -0.03 -0.05 -0.01 0.01 -0.01 0.07 0.04 -0.00 -0.04 0.08 0.07 -0.02 0.04 0.02 -0.03 0.13 -0.23 0.02 -0.11 0.08 -0.16 -0.08 -0.01 -0.06 0.31 -0.01 0.01 -0.04 -0.00 -0.06 -0.11 -0.02 0.14 0.21 -0.25 -0.02 -0.06 0.12 -0.09 0.16 -0.10 0.09 -0.08 -0.08 -0.07 0.32 -0.16 -0.23 -0.32 0.48 -0.03 0.01 0.00 -0.01 0.01 0.00 0.01 -0.02 0.00 -0.01 0.07 -0.00 -0.03 -0.01 0.00 0.01 -0.01 -0.00 0.00 0.09 0.01 -0.04 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.05 0.00 0.02 -0.18 0.04 -0.02 -0.02 -0.04 0.02 0.00 -0.04 0.02 0.19 0.04 -0.03 -0.35 -0.14 0.00 -0.25 0.01 -0.04 -0.07 -0.11 -0.06 -0.13 0.01 0.08 0.21 0.04 -0.05 0.01 0.14 0.03 0.05 0.05 -0.00 0.22 0.03 -0.02 0.28 -0.07 0.08 -0.09 -0.47 -0.01 -0.04 0.26 0.23 0.22 0.04 0.19 -0.00 0.00 0.01 -0.01 0.00 -0.01 0.02 0.00 0.01 -0.13 0.01 0.06 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.12 -0.01 0.06 0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.03 -0.00 -0.05 -0.00 0.00 -0.01 -0.08 -0.01 0.11 0.07 -0.01 0.02 -0.01 0.01 -0.00 0.10 0.08 -0.03 -0.05 -0.03 0.00 0.15 -0.04 -0.04 -0.38 0.00 0.08 -0.26 -0.00 0.07 -0.07 0.06 0.01 0.30 -0.13 -0.04 -0.13 0.07 -0.08 0.02 0.02 -0.04 0.43 -0.18 -0.50 -0.03 0.06 -0.00 -0.21 -0.03 -0.09 -0.02 -0.00 -0.02 0.02 -0.00 0.01 -0.02 0.00 0.01 0.10 -0.02 -0.07 0.04 0.00 0.01 0.06 -0.00 0.02 0.12 0.01 -0.07 -0.01 -0.00 0.02 -0.02 -0.00 0.02 -0.02 -0.01 -0.00 0.13 -0.03 -0.04 0.03 -0.12 -0.04 0.03 0.03 0.06 -0.11 0.12 -0.05 0.04 0.17 0.01 0.17 -0.12 0.13 -0.03 -0.11 0.03 -0.21 0.12 0.29 0.45 0.16 -0.31 -0.03 0.08 0.03 0.11 0.01 0.05 -0.14 0.07 -0.07 -0.23 0.25 -0.19 -0.11 -0.23 0.17 -0.08 0.08 0.05 -0.05 0.01 0.02 -0.03 0.00 -0.06 0.06 0.00 0.03 -0.05 -0.00 0.02 0.17 -0.03 -0.17 0.16 -0.01 0.07 0.11 -0.02 0.02 0.28 0.02 -0.16 -0.05 -0.00 0.03 -0.04 0.00 0.04 -0.08 -0.04 -0.03 -0.05 -0.01 -0.08 0.02 0.02 0.04 0.11 0.03 0.08 0.05 -0.01 0.10 0.00 0.33 -0.07 -0.06 -0.18 0.16 -0.05 0.06 -0.02 0.20 -0.03 -0.01 0.13 -0.05 0.16 -0.06 -0.03 -0.09 0.19 -0.02 0.07 0.10 -0.35 0.13 0.18 0.07 -0.11 -0.06 0.03 -0.01 -0.08 0.03 0.02 -0.26 -0.26 -0.23 -0.04 0.00 -0.08 0.07 0.00 0.04 -0.07 -0.00 0.04 0.20 -0.04 -0.21 0.18 -0.01 0.08 0.13 -0.02 0.02 0.33 0.03 -0.21 -0.08 -0.00 0.03 -0.06 0.00 0.04 -0.07 -0.06 0.02 -0.03 0.10 -0.00 -0.04 -0.10 0.01 -0.08 0.02 -0.01 0.02 -0.04 -0.04 -0.03 -0.05 -0.02 0.10 0.28 -0.16 0.11 0.03 0.02 0.09 0.11 0.38 -0.28 0.11 -0.31 0.05 -0.00 0.02 -0.12 0.01 -0.00 0.12 0.13 0.01 -0.05 -0.10 0.11 0.12 0.20 -0.00 0.06 -0.02 -0.01 -0.02 -0.03 -0.03 -0.06 0.00 -0.07 0.07 -0.01 0.03 -0.06 0.01 0.05 0.30 -0.03 -0.21 0.17 0.01 0.02 0.26 0.00 0.09 0.10 0.04 -0.19 -0.06 -0.00 0.04 -0.09 0.00 0.02 -0.09 0.07 -0.03 0.02 -0.07 0.05 0.00 0.11 0.05 -0.05 -0.05 -0.07 -0.01 0.04 -0.02 0.15 -0.05 0.02 -0.07 -0.08 -0.01 0.03 -0.05 -0.00 -0.07 -0.10 -0.29 0.19 -0.14 0.42 0.06 -0.02 0.02 0.01 0.00 -0.10 -0.21 0.17 -0.14 -0.02 0.06 -0.04 0.05 -0.18 -0.04 0.05 -0.06 -0.03 0.24 0.14 0.15 0.03 0.00 0.09 -0.07 -0.00 -0.01 0.03 0.00 -0.09 0.39 -0.01 0.01 -0.26 0.01 -0.07 -0.20 0.01 -0.01 0.27 0.01 0.03 0.09 -0.00 -0.02 0.08 0.00 -0.02 -0.08 0.01 -0.05 -0.01 -0.07 -0.04 -0.01 -0.05 0.06 -0.09 0.09 -0.04 0.04 0.04 0.05 0.02 0.16 -0.02 -0.04 -0.19 0.12 0.01 0.01 -0.06 -0.12 0.04 0.17 0.15 0.05 -0.02 0.08 -0.06 0.07 -0.28 0.02 0.03 0.01 -0.16 0.04 0.11 0.10 -0.10 0.11 0.10 -0.22 0.43 0.04 0.11 -0.00 0.09 -0.00 0.02 0.00 0.10 -0.06 -0.00 -0.01 0.01 0.00 -0.09 0.47 -0.03 -0.03 -0.23 0.01 -0.05 -0.23 0.00 -0.04 0.47 0.02 -0.03 0.08 -0.01 -0.01 0.08 0.00 -0.01 -0.06 0.00 -0.01 0.00 0.03 0.04 -0.01 0.03 0.01 0.04 -0.06 0.02 -0.01 -0.02 -0.05 0.04 -0.12 0.02 0.06 0.18 -0.13 0.03 -0.01 0.04 0.17 -0.02 -0.03 0.01 -0.05 0.12 -0.03 0.03 -0.05 0.25 -0.06 -0.04 -0.04 0.18 -0.07 -0.10 -0.05 0.05 -0.06 -0.06 0.19 -0.28 -0.04 -0.08 -0.01 -0.12 -0.03 0.01 -0.01 0.01 -0.01 0.03 -0.00 -0.00 -0.02 -0.01 -0.47 -0.02 0.08 0.13 -0.04 0.12 -0.22 -0.04 -0.14 0.55 -0.03 -0.07 -0.05 -0.01 -0.04 0.07 -0.01 0.05 0.00 -0.07 0.02 0.02 0.02 -0.04 -0.00 0.04 -0.02 -0.01 0.03 0.03 -0.02 0.02 -0.00 0.16 0.20 -0.06 -0.04 -0.05 0.03 0.01 -0.04 -0.01 0.02 -0.04 -0.15 -0.13 -0.06 0.08 0.01 0.01 0.02 -0.24 0.14 0.09 -0.13 0.07 -0.07 0.08 -0.03 0.01 0.03 -0.13 -0.05 -0.08 -0.04 -0.04 0.16 0.11 0.13 0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.43 0.01 -0.08 -0.16 0.03 -0.09 0.11 0.02 0.08 -0.39 0.02 0.07 0.04 0.01 0.05 -0.03 0.01 -0.06 0.00 -0.07 0.02 0.01 0.02 -0.05 0.00 0.01 -0.02 0.01 0.02 0.05 -0.01 0.01 0.00 0.15 0.24 -0.07 -0.12 -0.12 0.06 -0.00 -0.03 -0.01 0.25 -0.02 -0.00 -0.35 -0.02 -0.06 0.00 0.01 0.00 -0.18 0.15 0.11 -0.13 0.06 -0.07 0.13 -0.07 0.04 0.03 -0.15 -0.06 -0.19 -0.09 -0.09 0.19 0.12 0.14 -0.01 0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 -0.00 0.14 -0.02 -0.06 -0.05 0.00 -0.02 -0.04 -0.00 -0.02 0.08 0.02 -0.05 -0.00 0.00 0.02 -0.01 -0.00 0.00 -0.01 -0.01 0.10 0.01 0.03 -0.02 0.02 0.04 -0.07 0.02 -0.03 -0.03 -0.04 0.03 0.06 -0.32 -0.10 0.05 0.37 0.23 -0.04 -0.00 -0.01 0.00 -0.02 -0.01 -0.17 -0.26 -0.02 -0.05 -0.02 -0.04 -0.00 0.07 -0.02 -0.05 0.12 -0.30 0.17 -0.14 0.23 -0.19 0.14 -0.35 -0.24 0.20 0.05 0.07 0.10 0.10 0.09 -0.01 0.00 0.01 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.06 -0.01 -0.03 0.01 0.00 -0.03 0.01 -0.00 -0.00 0.10 0.00 -0.01 -0.01 -0.00 -0.00 -0.02 -0.01 0.02 -0.02 0.02 0.02 0.01 -0.01 0.00 0.02 -0.03 -0.04 0.01 -0.04 0.02 0.01 0.04 0.01 -0.11 -0.07 0.03 -0.04 -0.05 0.02 -0.02 0.02 0.00 -0.31 0.02 -0.05 0.13 0.03 -0.09 -0.01 -0.01 0.01 0.09 0.01 -0.01 0.13 -0.13 0.08 0.20 -0.06 0.05 0.15 0.44 -0.29 -0.40 -0.28 -0.29 0.20 0.21 0.17 0.02 -0.01 0.02 -0.06 -0.01 -0.04 -0.00 0.01 0.01 -0.13 0.03 0.11 0.35 -0.00 0.02 0.17 -0.00 0.02 0.13 -0.04 0.04 0.01 -0.01 -0.05 -0.02 -0.02 0.08 -0.02 0.12 -0.12 0.01 -0.05 0.03 0.01 -0.04 0.03 -0.03 0.02 0.08 0.01 0.01 0.02 -0.16 -0.17 0.06 0.01 -0.05 0.03 -0.04 -0.01 0.00 0.51 0.02 0.23 -0.33 0.03 -0.13 0.04 -0.02 -0.03 0.13 -0.01 0.03 -0.03 -0.04 0.00 -0.13 0.13 -0.09 0.07 -0.19 -0.18 -0.15 -0.08 -0.06 0.25 0.04 0.12 -0.05 -0.00 -0.08 0.12 0.00 0.17 0.05 -0.00 -0.06 -0.26 -0.04 -0.13 -0.54 -0.02 0.11 -0.57 0.02 0.06 -0.15 0.05 -0.17 0.09 -0.03 -0.10 0.10 0.03 -0.10 -0.02 0.05 -0.05 0.01 -0.02 0.01 -0.00 -0.01 0.01 -0.01 -0.00 0.03 0.01 0.01 0.02 -0.09 -0.07 0.03 0.03 -0.01 0.01 -0.01 -0.00 -0.00 0.20 0.01 0.09 -0.06 0.01 -0.03 0.02 -0.00 -0.01 0.11 -0.02 -0.01 -0.05 -0.01 -0.01 -0.01 0.04 -0.03 0.03 -0.02 -0.07 -0.11 -0.06 -0.06 0.10 0.02 0.05 0.00 -0.11 0.00 -0.00 0.17 -0.00 -0.00 -0.08 0.00 0.20 0.09 0.34 -0.01 -0.08 0.39 0.05 -0.09 -0.40 -0.18 0.11 -0.33 -0.12 0.09 0.35 0.12 0.09 -0.35 -0.00 0.01 -0.02 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.03 -0.02 0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.01 0.02 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.05 -0.02 0.02 -0.04 0.03 -0.02 0.02 0.01 -0.05 -0.02 -0.01 -0.01 0.02 0.01 0.01 -0.00 0.02 -0.02 -0.03 -0.01 0.04 0.02 -0.00 -0.02 -0.03 -0.00 -0.07 -0.04 -0.01 0.03 0.09 0.02 0.13 -0.04 -0.02 0.05 0.04 -0.01 -0.04 0.06 0.01 -0.03 -0.02 -0.05 -0.06 -0.04 0.02 0.10 0.04 -0.00 -0.01 0.04 0.01 0.04 0.03 -0.02 -0.07 0.46 0.04 -0.03 -0.13 0.12 -0.13 -0.05 0.03 0.05 -0.17 -0.00 -0.06 0.10 0.00 -0.00 -0.01 -0.02 -0.02 -0.21 0.16 0.11 0.42 -0.09 0.14 -0.41 0.19 -0.11 0.13 -0.14 -0.25 0.02 0.02 0.03 0.09 0.02 0.05 0.02 0.01 0.08 0.19 -0.00 -0.14 -0.11 -0.01 0.10 -0.03 -0.00 0.08 -0.39 0.07 -0.39 -0.31 -0.06 -0.37 0.06 -0.01 0.11 -0.26 0.07 0.16 -0.23 -0.06 0.14 -0.01 0.04 -0.01 -0.01 -0.00 0.02 0.02 -0.02 0.00 -0.00 0.00 0.01 0.01 -0.02 -0.03 0.19 0.07 -0.02 -0.21 -0.10 0.01 -0.02 0.01 0.02 0.01 0.01 0.04 -0.11 0.02 -0.07 0.00 -0.02 -0.02 0.08 -0.00 -0.02 0.10 0.01 0.02 -0.14 0.04 -0.02 0.02 -0.06 -0.05 0.06 0.03 0.04 0.04 -0.01 0.01 0.00 0.08 -0.00 -0.01 0.02 -0.00 -0.00 -0.10 0.00 -0.24 -0.03 -0.16 -0.53 -0.01 -0.06 0.59 -0.03 0.06 0.22 -0.06 0.19 -0.16 0.05 0.21 0.17 0.05 -0.21 0.01 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.06 -0.02 0.01 0.09 0.04 0.00 0.01 0.00 -0.01 0.07 0.00 0.03 0.02 0.00 0.01 0.00 0.00 0.01 0.01 0.01 -0.00 -0.07 0.01 -0.02 0.02 0.01 -0.01 -0.01 -0.00 0.02 -0.03 -0.03 -0.03 0.00 0.01 0.01 0.02 -0.01 0.01 0.03 -0.01 -0.03 -0.02 0.01 0.02 0.02 0.03 0.07 0.04 0.02 -0.07 -0.11 -0.01 -0.07 -0.11 -0.02 0.05 -0.03 0.01 0.00 -0.08 -0.02 0.06 0.03 -0.04 -0.05 -0.03 0.00 0.00 -0.13 -0.00 -0.01 0.04 -0.03 -0.00 0.02 -0.02 0.06 -0.04 -0.04 -0.00 0.33 0.23 -0.06 0.05 0.03 -0.06 0.30 -0.01 0.09 0.51 -0.00 0.13 0.00 0.02 0.06 -0.32 0.19 0.09 -0.09 -0.01 -0.01 -0.14 0.18 -0.15 0.04 -0.06 -0.05 -0.21 -0.18 -0.19 -0.06 0.09 0.01 0.00 -0.00 -0.01 -0.02 0.00 0.01 0.01 0.00 -0.01 0.00 -0.01 -0.01 0.05 -0.01 0.03 -0.01 0.00 0.02 0.02 0.01 -0.04 0.02 -0.01 -0.02 0.01 0.00 -0.00 0.04 0.06 0.08 -0.10 -0.06 -0.01 0.02 -0.05 0.02 -0.01 -0.01 -0.01 0.05 -0.03 0.03 0.44 0.37 -0.11 0.28 0.14 -0.00 0.01 0.06 -0.08 -0.19 0.02 0.07 -0.12 0.04 -0.12 -0.04 -0.03 -0.01 0.26 -0.16 -0.08 -0.15 0.11 -0.09 -0.16 0.15 -0.11 -0.19 -0.03 0.24 -0.04 -0.06 -0.06 0.22 0.21 0.17 0.01 0.00 0.00 0.02 -0.00 -0.01 -0.01 0.01 0.01 0.01 0.01 0.03 -0.02 0.01 -0.05 -0.05 -0.00 -0.03 -0.09 -0.01 0.05 -0.03 0.01 0.01 -0.05 -0.01 0.03 -0.02 -0.05 -0.10 -0.06 -0.07 0.02 0.11 0.02 0.05 -0.00 0.02 0.03 -0.01 0.06 -0.00 0.02 -0.02 0.01 0.61 0.36 -0.11 -0.06 -0.02 0.01 -0.29 -0.01 -0.08 -0.25 -0.01 0.00 0.06 0.03 0.01 -0.13 0.10 0.06 -0.09 0.02 -0.05 0.29 -0.14 0.13 -0.07 -0.05 0.02 -0.13 -0.04 -0.03 -0.17 -0.15 -0.15 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.01 0.01 -0.00 0.00 -0.00 0.02 -0.00 0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.04 -0.02 0.03 -0.00 0.00 0.02 -0.02 0.04 0.02 -0.08 0.02 -0.02 -0.05 0.04 -0.02 0.20 0.06 -0.02 -0.13 -0.05 0.01 0.02 -0.08 -0.11 0.11 -0.03 -0.05 -0.18 -0.02 0.07 0.11 0.06 0.08 0.21 -0.19 -0.10 0.41 -0.36 0.25 -0.12 0.12 -0.10 -0.14 -0.02 0.15 -0.30 -0.21 -0.22 -0.24 -0.14 -0.17 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.02 -0.02 0.01 -0.00 0.02 0.01 0.00 0.01 0.05 0.01 -0.04 0.01 -0.01 -0.01 0.02 0.00 -0.01 0.03 0.09 0.06 -0.05 -0.07 0.00 -0.07 -0.03 -0.05 0.01 -0.03 -0.03 -0.09 0.06 -0.07 0.28 0.18 -0.05 0.13 -0.01 0.04 0.02 0.07 0.08 0.25 0.02 0.09 0.19 0.03 -0.07 0.01 -0.01 0.00 0.00 -0.00 -0.04 0.22 -0.13 0.11 0.41 -0.37 0.28 0.17 -0.39 -0.16 0.06 -0.04 -0.05 -0.04 -0.10 -0.04 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 -0.01 -0.00 -0.00 -0.00 -0.03 -0.01 0.03 -0.01 0.01 0.00 -0.02 -0.01 0.01 0.04 -0.03 0.03 -0.05 -0.04 0.00 -0.06 0.04 -0.04 -0.04 0.04 0.01 0.04 0.04 -0.00 0.21 0.15 -0.05 0.23 0.14 -0.03 -0.04 -0.15 0.08 0.36 -0.04 -0.08 0.09 -0.01 0.03 -0.01 0.02 -0.04 0.21 -0.17 -0.04 -0.04 0.09 -0.06 0.00 0.11 -0.07 0.18 0.59 -0.29 0.13 0.18 0.17 0.04 -0.07 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.01 0.03 0.04 -0.02 0.00 -0.02 -0.02 -0.00 -0.01 -0.03 -0.03 0.05 -0.02 0.01 0.01 -0.02 -0.01 0.01 -0.01 -0.03 -0.08 -0.00 -0.01 0.03 -0.02 0.01 0.04 0.02 0.02 0.05 -0.08 0.06 -0.03 0.02 -0.09 0.02 0.11 0.07 -0.02 0.12 -0.05 -0.07 0.04 0.02 0.08 -0.01 -0.05 0.14 -0.11 -0.02 -0.05 -0.01 0.03 0.06 0.34 -0.27 0.21 0.22 -0.12 0.06 -0.15 0.21 0.40 0.18 0.16 0.15 0.36 0.25 0.28 -0.02 -0.00 0.02 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.03 -0.06 -0.09 0.02 -0.01 0.02 0.00 0.01 0.01 0.08 0.06 -0.11 0.03 -0.02 -0.02 0.03 0.01 -0.01 -0.04 0.16 0.03 -0.02 -0.04 0.01 0.04 -0.02 -0.00 0.14 -0.13 -0.07 0.01 0.02 0.00 0.07 0.12 -0.00 -0.06 -0.04 -0.02 0.01 -0.11 -0.03 0.13 0.02 0.08 -0.35 -0.01 -0.09 -0.05 0.04 0.05 -0.52 0.38 0.08 0.05 -0.06 0.02 -0.07 0.10 -0.06 -0.07 0.38 0.09 0.07 0.05 0.02 -0.24 -0.03 -0.09 -0.04 0.00 -0.09 0.03 0.00 0.01 -0.05 0.00 0.04 0.18 0.33 0.44 -0.04 0.02 -0.03 -0.04 -0.02 -0.03 0.17 -0.34 0.42 0.27 -0.23 -0.18 0.27 0.23 -0.18 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 0.01 0.02 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.01 -0.02 -0.00 0.00 0.00 -0.02 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.05 0.02 0.00 -0.04 0.04 -0.00 -0.04 0.10 0.17 0.22 -0.10 -0.28 0.38 -0.09 0.28 0.37 0.10 -0.18 0.21 -0.29 0.24 0.19 -0.30 -0.23 0.19 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.01 -0.02 -0.00 0.00 0.00 -0.02 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.00 -0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.02 0.02 -0.00 0.02 0.02 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 0.01 -0.01 0.00 0.00 -0.02 0.00 -0.01 -0.01 -0.02 -0.02 0.01 0.09 -0.13 -0.04 0.05 -0.06 0.14 -0.00 -0.00 0.01 -0.01 0.09 0.12 -0.03 -0.10 0.11 0.05 -0.06 -0.02 -0.00 -0.01 -0.01 0.13 0.22 0.08 0.16 0.04 -0.20 0.01 -0.02 -0.01 -0.38 0.16 0.44 -0.24 0.53 -0.22 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.03 0.04 -0.02 0.01 -0.00 0.02 0.00 -0.00 0.00 -0.04 -0.04 0.02 0.19 -0.35 -0.10 0.15 -0.13 0.36 -0.01 -0.00 -0.00 0.00 -0.07 -0.09 -0.01 0.08 -0.09 -0.02 0.03 0.01 -0.02 0.02 0.00 0.21 0.41 0.13 0.28 0.10 -0.38 -0.01 0.00 -0.00 0.17 -0.08 -0.20 0.09 -0.25 0.09 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.02 0.02 -0.01 0.02 0.02 0.00 0.01 -0.01 0.02 -0.02 -0.01 0.02 0.02 -0.01 0.00 -0.00 0.01 -0.03 0.05 -0.03 0.01 0.00 -0.06 0.00 -0.00 -0.00 0.03 0.03 -0.01 0.23 -0.37 -0.12 0.17 -0.14 0.39 -0.01 -0.00 0.00 -0.08 0.24 0.33 -0.06 -0.28 0.31 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.17 -0.27 -0.11 -0.21 -0.05 0.25 0.00 0.02 -0.02 0.05 -0.02 -0.06 0.02 -0.07 0.02 -0.03 0.00 -0.06 -0.03 0.00 0.13 0.08 -0.00 -0.06 0.06 0.15 0.18 0.10 0.35 -0.38 0.08 -0.35 -0.38 0.06 -0.15 0.17 -0.25 0.24 0.16 -0.25 -0.23 0.16 -0.01 0.01 0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.02 -0.01 0.01 -0.02 0.03 -0.00 -0.00 0.00 -0.01 0.04 0.05 -0.02 -0.04 0.04 -0.00 0.00 0.00 -0.02 0.01 -0.00 0.00 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.02 0.02 -0.00 0.02 0.02 -0.01 0.00 0.00 0.01 -0.01 -0.01 0.01 0.01 -0.01 0.02 -0.00 0.00 0.02 -0.03 0.02 0.02 0.00 -0.07 -0.01 0.01 0.00 -0.02 -0.03 0.01 -0.15 0.26 0.08 -0.11 0.10 -0.27 -0.02 0.00 -0.00 -0.10 0.31 0.41 -0.07 -0.35 0.39 -0.01 0.02 0.01 0.02 -0.02 -0.00 0.13 0.25 0.08 0.17 0.06 -0.23 -0.01 -0.01 -0.03 0.10 -0.05 -0.13 0.05 -0.16 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.02 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 0.00 0.03 -0.07 0.02 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.05 -0.00 0.03 -0.16 0.78 -0.50 -0.19 -0.01 0.27 -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 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.04 -0.06 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.09 0.02 -0.37 -0.36 0.69 0.47 -0.00 0.00 -0.00 0.00 0.02 -0.01 0.01 -0.03 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 0.00 0.05 -0.03 -0.09 -0.06 0.00 0.00 0.00 0.00 -0.02 0.01 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 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 -0.07 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.01 0.00 -0.02 -0.01 0.02 0.01 0.01 -0.00 0.01 -0.07 -0.56 0.33 -0.09 0.58 0.43 -0.00 0.00 0.00 0.00 0.00 0.01 -0.06 0.01 0.10 -0.04 -0.09 -0.06 -0.11 0.00 -0.07 0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 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 0.00 0.00 0.05 0.04 -0.02 0.00 0.00 0.01 0.05 -0.10 -0.06 -0.01 -0.00 -0.01 0.01 0.08 -0.04 0.01 -0.08 -0.06 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.34 0.03 0.62 -0.21 -0.52 -0.34 0.16 0.00 0.09 -0.00 0.00 -0.00 0.02 0.00 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -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 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.02 0.02 0.04 0.02 -0.08 -0.02 -0.01 -0.07 0.01 -0.00 -0.01 -0.01 -0.02 -0.01 0.10 -0.00 0.06 0.07 -0.27 0.16 -0.55 0.02 0.75 0.00 -0.00 -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 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 0.05 -0.01 0.03 0.02 -0.07 -0.00 -0.04 -0.01 -0.08 0.05 -0.02 0.09 0.07 -0.01 0.00 0.01 0.00 0.00 0.02 0.09 -0.01 -0.16 0.01 0.04 0.02 0.82 0.00 0.49 -0.00 -0.01 0.00 0.07 -0.00 -0.10 0.00 0.00 0.00 0.01 -0.00 -0.07 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.07 0.60 0.38 -0.09 -0.58 0.37 0.00 -0.00 0.00 -0.02 -0.03 0.01 -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 -0.01 0.00 -0.03 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 -0.01 -0.00 -0.02 -0.01 0.00 0.01 0.00 0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 0.02 -0.00 -0.02 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 0.04 0.19 -0.06 0.75 -0.11 0.21 0.13 0.01 -0.00 0.00 -0.00 -0.02 0.01 0.01 -0.03 -0.02 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.16 -0.01 -0.29 -0.14 -0.35 -0.22 -0.08 -0.00 -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 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.00 -0.09 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.03 -0.04 0.01 -0.15 0.03 -0.05 -0.03 0.00 -0.00 0.00 0.08 0.59 -0.37 -0.08 0.48 0.37 -0.00 -0.00 0.00 0.00 0.00 0.01 0.11 -0.00 -0.19 -0.08 -0.18 -0.12 -0.02 0.00 -0.01 -0.00 0.01 -0.01 0.01 -0.00 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 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 -0.01 -0.05 0.00 -0.03 -0.00 0.00 0.00 0.00 0.01 -0.04 -0.06 0.12 -0.04 0.46 -0.09 0.17 0.11 -0.00 -0.00 -0.00 0.03 0.22 -0.13 -0.03 0.19 0.15 0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.27 0.01 0.47 0.18 0.43 0.27 0.03 0.00 0.02 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.01 -0.01 -0.06 0.00 0.00 -0.00 -0.02 0.00 0.01 0.06 -0.49 0.27 -0.00 0.01 0.00 -0.00 -0.02 0.01 0.08 0.59 0.36 0.14 0.27 -0.08 0.14 -0.28 -0.08 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.03 -0.00 0.00 0.01 0.05 -0.00 -0.03 0.03 -0.24 0.14 0.01 -0.04 -0.02 0.00 0.01 -0.01 0.04 0.29 0.18 -0.28 -0.54 0.16 -0.27 0.56 0.16 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -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 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.03 0.02 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.01 -0.08 0.00 -0.00 -0.00 0.01 -0.00 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.00 -0.00 0.30 0.10 0.94 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.04 0.00 0.05 -0.00 0.01 -0.00 -0.00 -0.10 0.00 0.00 0.01 -0.00 0.00 -0.06 0.03 -0.07 0.57 0.38 0.09 0.59 -0.38 -0.00 -0.02 -0.01 -0.03 -0.06 0.02 0.02 -0.04 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.04 -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 -0.08 0.00 -0.00 0.00 -0.00 0.00 0.07 -0.00 -0.05 0.50 -0.28 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.05 0.39 0.24 -0.22 -0.41 0.12 0.21 -0.40 -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 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 -0.00 -0.01 -0.00 -0.00 -0.07 0.00 -0.05 0.45 -0.26 -0.01 0.06 0.04 0.01 0.06 -0.04 0.05 0.36 0.22 0.24 0.45 -0.13 -0.22 0.44 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 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 1 1 1 1 6 6 6 6 6 1 1 6 1 1 6 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 6 6 6 1 1 1 1 1 1 6 6 6 6 6 1 1 6 1 1 6 1 1 1 1 1 1 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 136.12520 627.51055 2255.31027 2356.27618 0.99999 1.0E-5 -0.00317 -5.0E-5 0.99991 -0.01319 0.00317 0.01319 0.99991 asymmetric 1 0.13803 0.03840 0.03676 2.87603 0.80022 0.76593 609738.0 64.50 150.50 162.78 285.36 315.61 375.51 408.99 518.03 592.47 700.14 824.12 933.89 978.05 1030.77 1098.07 1125.45 1156.04 1178.70 1194.10 1194.90 1269.33 1318.62 1332.10 1369.16 1394.92 1402.51 1420.59 1440.93 1497.32 1504.46 1516.60 1552.90 1611.45 1629.58 1669.83 1686.28 1695.33 1721.71 1749.88 1757.47 1783.53 1790.59 1824.40 1840.81 1890.35 1902.41 1911.76 1959.82 2042.81 2069.77 2091.36 2108.69 2124.27 2147.92 2156.04 4336.30 4372.39 4416.23 4422.88 4447.32 4467.36 4476.47 4493.61 4509.67 4515.09 4549.07 4558.70 4571.19 4600.35 4725.30 4733.84 0.232237 0.242002 0.242946 0.197104 -389.869390 -389.859624 -389.858680 -389.904523 151.859 39.123 96.483 0.000 0.000 0.000 0.889 2.981 40.637 0.889 2.981 29.590 150.081 33.162 26.256 1 0.595 1.979 5.033 2 0.605 1.946 3.367 3 0.607 1.939 3.214 4 0.637 1.842 2.149 5 0.647 1.812 1.964 6 0.669 1.744 1.655 7 0.683 1.703 1.508 8 0.735 1.555 1.122 9 0.776 1.445 0.920 10 0.843 1.280 0.692 11 0.929 1.090 0.499 0.218097e-90 -90.661351 -208.755475 0.144587e+17 16.160130 37.210074 0.354320e+03 2.549396 5.870200 0.100000e+01 0.000000 0.000000 0.624254e+08 7.795362 17.949484 0.653691e+06 5.815372 13.390390 edo ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.0505 0.5077 0.0158 0.5104 -64.2688 -63.3404 -63.0541 -0.0816 -0.1642 -0.0474 -0.7144 0.2140 0.5004 -0.0816 -0.1642 -0.0474 7.5525 2.8471 -4.1066 -4.9026 -0.8318 1.6359 2.2049 -0.0571 3.3233 0.2776 -1731.0235 -390.9824 -304.0313 0.3878 -15.4965 0.7175 -1.3166 2.5264 0.5097 -328.5919 -336.9874 -110.8597 0.9019 1.5025 -0.0947 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) 0 1-A -390.1016265 0.700425 0. 0.11179 1.465E-9 5.716E-7 0.2322369 0.242002 -389.8596245 -389.8586803 -389.9045227 -0.5311472,0.1591427,0.3720045,-0.0606321,-0.1220515,-0.0352701 C01 [X(C10H16)] -0.0198503 0.1997369 0.0062216 -0.1111552 -0.1167616 -0.0555002 -0.0202921 0.0192265 0.0054698 -0.3115892 0.059593 -0.0194322 0.4697754 -0.0417983 -0.0057612 -0.0023807 0.0588316 0.0000722 0.1578344 -0.0366546 0.0353994 -0.6660525 0.1122244 -0.0202743 -0.010736 0.0936533 0.003832 0.4181162 -0.0345741 -0.1752945 0.0901892 0.0087078 -0.0354706 -0.0072383 0.0119116 0.0407776 -0.0637676 0.01941 0.0172113 0.0497309 0.0402333 0.0471442 0.0267879 -0.0258194 -0.0807585 -0.0498875 -0.0386983 -0.0140876 0.0661834 -0.0291331 0.0424362 -0.0280929 -0.029386 0.0813284 -0.038533 0.0558388 -0.0170866 0.1345168 0.0088858 -0.0517028 -0.0009952 -0.0177576 -0.0459878 -0.0964407 -0.022716 0.0149687 -0.0876374 -0.0042143 0.0662494 -0.03602 -0.0308187 0.0366884 -0.0443372 0.022622 0.1078769 -0.0783824 0.023338 0.0610333 0.0428098 -0.0363687 -0.0391362 -0.0391008 -0.0048924 0.1035379 0.2142141 0.3059371 0.0637862 0.1568794 -0.0861889 -0.0550087 0.3083288 -0.1923812 -0.0559747 0.0696112 -0.155796 -0.0388242 -0.0033882 0.2762715 0.0647123 -0.1330317 0.0376625 0.1104316 -0.1030474 -0.0366489 -0.0888747 -0.0374149 0.0798507 0.0042488 0.0761883 0.0480012 0.0240397 0.1345467 -0.2682115 -0.0572101 -0.0242427 -0.3002987 -0.008723 -0.0975575 0.2061945 0.0847709 0.0640848 -0.0042077 -0.0253161 -0.0013449 -0.0094801 0.0224777 -0.0229991 0.0355866 0.0958153 0.0126567 0.0262418 -0.0449696 0.021559 0.0353031 -0.0063532 -0.0632593 0.0545105 -0.1126094 -0.0387117 0.0862314 0.0283952 -0.0212188 -0.1039848 -0.0322078 0.0405074 -0.1110767 -0.005993 0.1550335 0.0181149 0.1135693 0.0684194 0.0560484 0.012499 0.1382613 -0.004819 0.0543422 0.0404841 -0.0201616 0.0243865 -0.0159338 -0.0822506 0.1226857 0.013748 0.0610307 -0.025706 0.0261673 0.0346931 0.0410514 0.0066623 -0.0659078 -0.1250974 -0.0016067 -0.0626815 -0.0312491 0.0684686 -0.0519733 -0.0489543 -0.0196407 0.1148127 -0.0751284 -0.0668572 -0.0646942 0.0891568 -0.0605984 0.0436787 -0.0249467 -0.067001 0.1511351 0.0597956 -0.0414734 -0.0773606 -0.1126525 -0.0451717 -0.020378 0.0558166 0.024556 0.0361132 -0.0145102 0.113079 0.0408139 -0.0990619 -0.0395431 -0.0566834 -0.0203892 -0.0903121 -0.0991911 -0.0493875 -0.0673621 -0.0861757 0.0115474 -0.1987614 -0.00293 -0.1079671 -0.0238975 0.0243671 0.0031588 -0.1312398 0.0130653 -0.0072625 -0.069044 0.0634186 0.0002074 0.1090253 -0.1239186 0.0664992 -0.0941991 0.1255717 0.008691 -0.0975576 0.0371929 0.0820856 -0.0465492 0.0538464 0.0080536 0.0971783 -0.0431761 -0.0813792 176.0666606|-9.195834|97.7881814|-7.8182685|3.2830168|92.4161919 -0.000000166 -0.000000188 -0.000000247 0.000000167 -0.000000946 -0.000000418 0.000000008 -0.000000732 -0.000000573 0.000000067 0.000000074 0.000000151 0.000000480 -0.000001177 0.000000012 0.000000043 -0.000001168 -0.000000784 -0.000000378 0.000000081 -0.000000652 0.000000146 -0.000000742 -0.000000283 -0.000000299 -0.000000741 -0.000001096 0.000000049 0.000000073 0.000000068 -0.000000202 -0.000000099 -0.000000459 -0.000000202 0.000000798 0.000000227 0.000000376 -0.000000193 0.000000606 -0.000000236 0.000000360 -0.000000169 -0.000000040 -0.000000638 -0.000000542 -0.000000500 0.000000025 -0.000000906 -0.000000070 0.000000777 0.000000462 -0.000000076 0.000001040 0.000000627 -0.000000517 0.000001077 -0.000000155 0.000000411 0.000000320 0.000000962 0.000000616 -0.000000706 0.000000592 -0.000000051 0.000000061 -0.000000048 -0.000000529 0.000000680 -0.000000469 -0.000000156 0.000001236 0.000000618 0.000000506 0.000000629 0.000001395 0.000000552 0.000000098 0.000001081 120.107 AuxInfo=1/0/N:1;2;3;10;11;12;13;14;17;20;4;5;6;7;8;9;15;16;18;19;21;22;23;24;25;26/rA:26nC0C0C0H0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.881,-.0749,.5474;-2.6237,-.0546,-.7485;-3.683,-.0391,.2694;-1.7827,-1.0125,1.0936;-2.506,-.9637,-1.3495;-2.4839,.8532,-1.3466;-1.7614,.8449,1.1232;-4.1906,-.9644,.5467;-4.167,.9002,.5426;.0894,-.0457,.0708;.4741,1.3076,-.529;.9638,-.1057,1.3277;.5928,-1.0956,-.769;2.0304,1.2378,-.3211;.1963,1.4013,-1.5888;.0261,2.1548,.0197;2.2613,-.0585,.5125;.8399,-1.0343,1.9057;.8242,.7573,1.9979;2.0448,-1.3111,-.3767;.2683,-1.1944,-1.8104;2.5742,1.209,-1.2778;2.3961,2.1142,.235;3.2078,-.0535,1.0745;2.2479,-2.2359,.197;2.6977,-1.3379,-1.2645;