Gaussian 16 GINC-N7004 ZW519 C-TS-cyclohexatriene-fo_tight_redo ES64L-G16RevC.02 30-Jun-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 24 24 37 37 210 (5D, 7F) def2SVP 66 66 66 C1[X(C10H14)] C1[X(C10H14)] C1[X(C10H14)] 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;4;6;7;13;14;15;18;5;8;9;10;11;12;16;17;19;20;21;22;23;24/rA:24nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:.4658,-.2507,-.0668;1.2807,-1.3118,-.0687;.9278,1.0352,-.1439;2.7728,-1.0338,-.1842;.9227,-2.3485,-.0761;2.1844,1.4485,-.0061;3.1865,.3475,.3513;3.3514,-1.8165,.3303;3.044,-1.1113,-1.2561;2.5194,2.4893,-.0564;3.2689,.3097,1.4553;4.1904,.6035,-.021;-1.4481,-.5505,.0585;-3.3341,-.8496,.1519;-1.9868,.8424,-.3129;-1.2901,-1.3373,-.682;-1.2994,-.7923,1.1138;-3.4396,.6555,.1404;-3.6115,-1.411,1.0507;-3.6227,-1.363,-.7724;-1.8989,.99,-1.4;-1.4197,1.6527,.1739;-4.2065,1.0767,-.5265;-3.6046,1.062,1.1492; /u/local/apps/gaussian/G16_C02/g16_avx2/g16 /u/local/apps/gaussian/G16_C02/g16_avx2/l1.exe "/work/9672021.1.houk_pod_xgold.q/Gau-25478.inp" -scrdir="/work/9672021.1.houk_pod_xgold.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 C-TS-cyclohexatriene-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 12 12 12 12 1 12 12 1 1 1 1 1 12 12 12 1 1 12 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 1 0 0 1 1 1 1 1 0 0 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 (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 1 1 1 2 2 3 4 4 4 6 6 7 7 13 13 13 14 14 14 15 15 15 18 18 2 3 13 4 5 6 7 8 9 7 10 11 12 15 16 17 18 19 20 18 21 22 23 24 1.3379 1.3685 1.9413 1.5222 1.0969 1.3299 1.5382 1.1009 1.1083 1.5311 1.0945 1.1077 1.1009 1.539 1.092 1.0927 1.5087 1.0954 1.0961 1.5332 1.1006 1.1023 1.1002 1.1 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 3 1 1 4 1 2 2 2 7 7 8 3 3 7 4 4 4 6 6 11 1 1 1 15 15 16 18 18 19 13 13 13 18 18 21 14 14 14 15 15 23 1 1 1 2 2 2 3 4 4 4 4 4 4 6 6 6 7 7 7 7 7 7 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 18 18 18 18 18 18 3 13 13 4 5 5 6 7 8 9 8 9 9 7 10 10 6 11 12 11 12 12 15 16 17 16 17 17 19 20 20 18 21 22 21 22 22 15 23 24 23 24 24 122.6489 118.5636 118.787 116.8956 123.4259 119.473 127.2397 113.6526 110.4761 107.4894 109.5345 109.4914 105.8839 114.7778 125.4523 119.611 112.8575 109.654 109.6547 107.8102 110.5279 106.095 100.9398 85.6906 87.8398 122.6253 118.747 118.4099 119.9904 116.2647 112.6504 98.6241 109.3768 112.2495 112.585 116.5191 107.2515 93.3066 115.7995 111.848 115.7576 111.6035 108.051 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 3 3 13 13 2 13 2 2 2 3 3 3 1 1 1 5 5 5 1 1 2 2 2 8 8 8 9 9 9 3 3 3 10 10 10 1 1 1 16 16 16 17 17 17 19 19 19 20 20 20 13 13 13 21 21 21 22 22 22 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 2 2 2 2 3 3 13 13 13 13 13 13 4 4 4 4 4 4 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 4 5 4 5 6 6 15 16 17 15 16 17 7 8 9 7 8 9 7 10 6 11 12 6 11 12 6 11 12 4 11 12 4 11 12 18 21 22 18 21 22 18 21 22 15 23 24 15 23 24 14 23 24 14 23 24 14 23 24 -0.9517 -175.7047 179.3294 4.5764 -12.1457 167.5727 -166.9244 -44.505 74.2005 13.3456 135.765 -105.5295 26.6118 150.1991 -94.7156 -158.4178 -34.8305 80.2548 -3.5003 -178.8747 -39.8058 80.394 -163.4924 -163.9044 -43.7046 72.409 80.3969 -159.4033 -43.2897 28.9514 -92.3005 152.1544 -155.382 83.3661 -32.179 -166.4165 75.8662 -43.0509 101.7003 -16.0171 -134.9342 -72.848 169.4346 50.5175 126.6541 -112.5881 11.788 -92.0285 28.7294 153.1054 -18.1732 -138.965 96.9021 97.0744 -23.7174 -147.8503 -138.4172 100.791 -23.3419 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 220 A 210 A 348 220 488.9737684666 24 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 136 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. -0.39654 0.00056 0.00091 0.00259 0.00505 0.01067 0.01101 0.01406 0.01951 0.02032 0.02197 0.03261 0.03287 0.03874 0.03932 0.04240 0.04257 0.04528 0.04788 0.04954 0.05484 0.05818 0.05990 0.06103 0.06212 0.07234 0.07456 0.07842 0.09409 0.10025 0.10499 0.10650 0.10882 0.11104 0.11343 0.11832 0.13579 0.16598 0.18322 0.19494 0.20134 0.22953 0.23914 0.25911 0.26874 0.27739 0.28669 0.32012 0.32424 0.32606 0.33642 0.34019 0.34096 0.34191 0.34308 0.34488 0.35301 0.35406 0.35547 0.35740 0.35844 0.36150 0.40297 0.46525 0.57486 0.59402 3.343991750e-13 0.00000000e+00 Linear search 1 2 0.00000377 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 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 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 2.52817 2.58615 3.66842 2.87651 2.07277 2.51323 2.90675 2.08046 2.09440 2.89340 2.06831 2.09331 2.08042 2.90820 2.06352 2.06500 2.85109 2.07008 2.07128 2.89742 2.07979 2.08312 2.07901 2.07874 2.14069 2.06931 2.07318 2.04022 2.15419 2.08519 2.22069 1.98364 1.92815 1.87605 1.91172 1.91100 1.84801 2.00330 2.18954 2.08758 1.96977 1.91383 1.91382 1.88165 1.92906 1.85169 1.76183 1.49563 1.53297 2.14021 2.07250 2.06666 2.09425 2.02919 1.96614 1.72128 1.90899 1.95914 1.96497 2.03366 1.87189 1.62848 2.02110 1.95211 2.02036 1.94784 1.88586 -0.01657 -3.06655 3.12979 0.07981 -0.21193 2.92489 -2.91424 -0.77761 1.29422 0.23193 2.36856 -1.84279 0.46431 2.62130 -1.65329 -2.76510 -0.60811 1.40049 -0.06111 -3.12198 -0.69455 1.40335 -2.85329 -2.86046 -0.76255 1.26399 1.40341 -2.78186 -0.75532 0.50519 -1.61108 2.65549 -2.71202 1.45489 -0.56173 -2.90424 1.32442 -0.75109 1.77516 -0.27937 -2.35488 -1.27125 2.95740 0.88190 2.21068 -1.96488 0.20592 -1.60600 0.50162 2.67242 -0.31740 -2.42562 1.69102 1.69404 -0.41419 -2.58073 -2.41606 1.75890 -0.40764 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.52817 2.58615 3.66842 2.87651 2.07277 2.51323 2.90675 2.08046 2.09440 2.89340 2.06831 2.09331 2.08042 2.90820 2.06352 2.06500 2.85109 2.07008 2.07128 2.89742 2.07979 2.08312 2.07901 2.07874 2.14069 2.06931 2.07318 2.04022 2.15419 2.08519 2.22069 1.98364 1.92815 1.87605 1.91173 1.91100 1.84801 2.00330 2.18954 2.08758 1.96977 1.91383 1.91382 1.88165 1.92906 1.85169 1.76183 1.49563 1.53297 2.14021 2.07251 2.06666 2.09425 2.02919 1.96614 1.72128 1.90899 1.95914 1.96497 2.03366 1.87189 1.62848 2.02110 1.95211 2.02036 1.94784 1.88586 -0.01657 -3.06655 3.12979 0.07981 -0.21193 2.92489 -2.91424 -0.77761 1.29422 0.23193 2.36856 -1.84279 0.46431 2.62130 -1.65329 -2.76510 -0.60811 1.40048 -0.06111 -3.12198 -0.69455 1.40336 -2.85328 -2.86046 -0.76255 1.26400 1.40341 -2.78186 -0.75532 0.50519 -1.61107 2.65549 -2.71202 1.45489 -0.56173 -2.90424 1.32441 -0.75110 1.77515 -0.27938 -2.35489 -1.27125 2.95740 0.88189 2.21067 -1.96489 0.20591 -1.60601 0.50162 2.67242 -0.31739 -2.42562 1.69103 1.69404 -0.41418 -2.58073 -2.41606 1.75891 -0.40764 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000018 0.000004 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -5.649165e-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 1 1 1 2 2 3 4 4 4 6 6 7 7 13 13 13 14 14 14 15 15 15 18 18 2 3 13 4 5 6 7 8 9 7 10 11 12 15 16 17 18 19 20 18 21 22 23 24 1.3378 1.3685 1.9412 1.5222 1.0969 1.3299 1.5382 1.1009 1.1083 1.5311 1.0945 1.1077 1.1009 1.539 1.092 1.0927 1.5087 1.0954 1.0961 1.5332 1.1006 1.1023 1.1002 1.1 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 3 1 1 4 1 2 2 2 7 7 8 3 3 7 4 4 4 6 6 11 1 1 1 15 15 16 18 18 19 13 13 13 18 18 21 14 14 14 15 15 23 1 1 1 2 2 2 3 4 4 4 4 4 4 6 6 6 7 7 7 7 7 7 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 18 18 18 18 18 18 3 13 13 4 5 5 6 7 8 9 8 9 9 7 10 10 6 11 12 11 12 12 15 16 17 16 17 17 19 20 20 18 21 22 21 22 22 15 23 24 23 24 24 122.6524 118.5628 118.7843 116.896 123.4259 119.4725 127.2362 113.654 110.4748 107.4898 109.5338 109.4923 105.8833 114.7807 125.4512 119.6093 112.8594 109.6542 109.6541 107.8103 110.527 106.0943 100.9455 85.6936 87.8328 122.6251 118.7458 118.4111 119.9919 116.2639 112.6513 98.6222 109.377 112.2505 112.5845 116.5203 107.2514 93.3049 115.8005 111.8476 115.7583 111.6028 108.0517 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 3 13 13 2 13 2 2 2 3 3 3 1 1 1 5 5 5 1 1 2 2 2 8 8 8 9 9 9 3 3 3 10 10 10 1 1 1 16 16 16 17 17 17 19 19 19 20 20 20 13 13 13 21 21 21 22 22 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 2 2 2 2 3 3 13 13 13 13 13 13 4 4 4 4 4 4 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 18 18 18 18 18 4 5 4 5 6 6 15 16 17 15 16 17 7 8 9 7 8 9 7 10 6 11 12 6 11 12 6 11 12 4 11 12 4 11 12 18 21 22 18 21 22 18 21 22 15 23 24 15 23 24 14 23 24 14 23 24 14 23 -0.9494 -175.7004 179.3237 4.5727 -12.1426 167.5837 -166.9737 -44.5537 74.1535 13.2886 135.7086 -105.5842 26.603 150.1893 -94.7267 -158.4284 -34.8421 80.2419 -3.5012 -178.8762 -39.795 80.4063 -163.4812 -163.8922 -43.6909 72.4216 80.4097 -159.389 -43.2765 28.9455 -92.3078 152.1483 -155.3875 83.3592 -32.1847 -166.4005 75.8835 -43.0343 101.709 -16.007 -134.9248 -72.8373 169.4468 50.529 126.6625 -112.5795 11.7981 -92.0172 28.7408 153.1184 -18.1855 -138.9778 96.8884 97.0612 -23.7311 -147.865 -138.4301 100.7777 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0144755290 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;4;6;7;13;14;15;18;5;8;9;10;11;12;16;17;19;20;21;22;23;24/rA:24nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:.4658,-.2507,-.0668;1.2807,-1.3118,-.0687;.9278,1.0352,-.1439;2.7728,-1.0338,-.1843;.9227,-2.3485,-.0761;2.1844,1.4485,-.0061;3.1865,.3475,.3513;3.3514,-1.8165,.3303;3.044,-1.1113,-1.2561;2.5194,2.4892,-.0564;3.2689,.3097,1.4553;4.1904,.6035,-.021;-1.4481,-.5505,.0585;-3.3341,-.8495,.1519;-1.9868,.8424,-.3129;-1.2901,-1.3373,-.682;-1.2994,-.7922,1.1138;-3.4396,.6555,.1404;-3.6115,-1.411,1.0507;-3.6227,-1.363,-.7724;-1.8989,.99,-1.4;-1.4197,1.6527,.1739;-4.2065,1.0766,-.5265;-3.6046,1.062,1.1492; 0.000000 1.337854 0.000000 1.368535 2.374498 0.000000 2.439129 1.522185 2.772434 0.000000 2.147013 1.096862 3.384382 2.272248 0.000000 2.417534 2.905104 1.329942 2.557342 4.001776 0.000000 2.816908 2.561586 2.412451 1.538178 3.546276 1.531124 0.000000 3.306918 2.168309 3.772326 1.100933 2.519217 3.483594 2.170375 0.000000 2.966858 2.135277 3.212886 1.108307 2.724566 2.975575 2.175312 1.763036 0.000000 3.424165 3.997786 2.157611 3.534479 5.094512 1.094503 2.279989 4.402406 3.831223 0.000000 3.238532 2.984053 2.926511 2.176978 3.862084 2.146847 1.107732 2.406894 3.069412 2.756366 0.000000 3.821594 3.483838 3.293332 2.171898 4.404053 2.176814 1.100909 2.585363 2.404180 2.519794 1.765006 0.000000 1.941302 2.835860 2.863611 4.255446 2.978564 4.146684 4.729900 4.971061 4.714031 4.999463 4.994089 5.755965 0.000000 3.853042 4.643159 4.669444 6.118971 4.518806 5.979937 6.632616 6.757399 6.536969 6.742038 6.829525 7.665519 1.911861 0.000000 2.696481 3.921344 2.925896 5.117735 4.324787 4.226142 5.239256 5.998321 5.478720 4.804609 5.570724 6.188761 1.538961 2.212233 0.000000 2.154634 2.643095 3.292016 4.104568 2.507279 4.504398 4.893537 4.774697 4.377872 5.435677 5.297662 5.851510 1.091958 2.260791 2.317933 0.000000 2.191536 2.885287 3.143480 4.280884 2.962321 4.290856 4.690802 4.826192 4.958139 5.169213 4.711666 5.777006 1.092750 2.251380 2.275985 1.876673 0.000000 4.014473 5.118057 4.393051 6.446143 5.300964 5.681441 6.636588 7.229321 6.863577 6.237875 6.844828 7.631863 2.329570 1.508734 1.533247 3.044249 2.761095 0.000000 4.384044 5.019646 5.293070 6.513635 4.765272 6.548758 7.056580 7.011791 7.050365 7.350288 7.103865 8.128821 2.530870 1.095439 3.094676 2.897655 2.394380 2.264621 0.000000 4.295447 4.953877 5.182017 6.430917 4.702834 6.497199 7.110127 7.075211 6.688969 7.285481 7.433332 8.091749 2.465659 1.096073 2.784102 2.334429 3.046535 2.222887 1.823772 0.000000 2.984760 4.144930 3.093589 5.234421 4.567300 4.338939 5.416804 6.199662 5.373005 4.855407 5.943228 6.255487 2.168774 2.802139 1.100581 2.510459 3.139233 2.204150 3.834521 2.983581 0.000000 2.690040 4.017382 2.448136 4.992329 4.643228 3.614360 4.790904 5.901124 5.441506 4.033600 5.042709 5.710753 2.206412 3.150659 1.102340 3.112803 2.622141 2.252843 3.867720 3.852701 1.773705 0.000000 4.878880 6.001928 5.148683 7.299438 6.184119 6.422750 7.480551 8.137883 7.608506 6.888701 7.771538 8.425386 3.255523 2.220686 2.242158 3.788976 3.825508 1.100162 3.004990 2.520599 2.468843 2.930583 0.000000 4.446308 5.566291 4.713291 6.844077 5.799045 5.915708 6.875023 7.572378 7.396769 6.402642 6.921264 7.895651 2.905141 2.172920 2.191540 3.803446 2.958596 1.100022 2.474989 3.094138 3.067983 2.464450 1.780562 0.000000 C10H14 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 0 120.107 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;18;5;8;9;10;11;12;16;17;19;20;21;22;23;24/rA:24nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:.4658,-.2507,-.0668;1.2807,-1.3118,-.0687;.9278,1.0352,-.1439;2.7728,-1.0338,-.1843;.9227,-2.3485,-.0761;2.1844,1.4485,-.0061;3.1865,.3475,.3513;3.3514,-1.8165,.3303;3.044,-1.1113,-1.2561;2.5194,2.4892,-.0564;3.2689,.3097,1.4553;4.1904,.6035,-.021;-1.4481,-.5505,.0585;-3.3341,-.8495,.1519;-1.9868,.8424,-.3129;-1.2901,-1.3373,-.682;-1.2994,-.7922,1.1138;-3.4396,.6555,.1404;-3.6115,-1.411,1.0507;-3.6227,-1.363,-.7724;-1.8989,.99,-1.4;-1.4197,1.6527,.1739;-4.2065,1.0766,-.5265;-3.6046,1.062,1.1492; 3.5165437 0.6402257 0.5594442 -10.31909 -10.31509 -10.30206 -10.30036 -10.29716 -10.29647 -10.29609 -10.29607 -10.29564 -10.27943 -0.93482 -0.92191 -0.83074 -0.81461 -0.77116 -0.74442 -0.68203 -0.66934 -0.64160 -0.57883 -0.57013 -0.54756 -0.53756 -0.51271 -0.50550 -0.50112 -0.47650 -0.46717 -0.44730 -0.44440 -0.42391 -0.41737 -0.40847 -0.38611 -0.36797 -0.27782 -0.24917 0.00681 0.04954 0.13079 0.14990 0.15302 0.16233 0.18299 0.19159 0.19366 0.20026 0.21050 0.21948 0.22332 0.22790 0.23896 0.24422 0.25674 0.26937 0.28838 0.30172 0.31583 0.32593 0.36518 0.38845 0.43189 0.44621 0.46727 0.47350 0.49837 0.51067 0.51196 0.52692 0.55609 0.56692 0.56936 0.59055 0.60816 0.62237 0.63592 0.64267 0.65490 0.66796 0.67990 0.69247 0.69416 0.70519 0.72142 0.72654 0.72987 0.74026 0.75210 0.75413 0.75675 0.75897 0.76702 0.77405 0.77455 0.78219 0.78674 0.79001 0.80408 0.81023 0.81733 0.82252 0.83492 0.85155 0.85691 0.92035 0.92605 0.92795 0.95653 0.98597 1.01292 1.06027 1.09018 1.10675 1.14248 1.17053 1.21274 1.27278 1.31911 1.33215 1.34064 1.36879 1.39028 1.41735 1.43810 1.44802 1.47219 1.52137 1.58082 1.59858 1.61585 1.66396 1.69698 1.71216 1.74707 1.76207 1.77275 1.78998 1.81792 1.82241 1.83123 1.85120 1.85456 1.85768 1.86317 1.87784 1.88760 1.90162 1.90287 1.92618 1.92969 1.93444 1.95338 1.95671 1.97608 1.99136 1.99583 2.01506 2.02429 2.03464 2.05179 2.09020 2.10024 2.12840 2.13829 2.15334 2.18481 2.20657 2.22175 2.23941 2.26731 2.29951 2.32538 2.34650 2.37974 2.39534 2.40150 2.42556 2.44085 2.45830 2.46564 2.49280 2.51361 2.53000 2.53644 2.54588 2.61252 2.62449 2.66862 2.68694 2.75932 2.77094 2.79340 2.79856 2.88416 2.89041 2.91459 2.92828 2.93382 2.95783 2.97497 2.98150 3.03457 3.07426 3.09512 3.10434 3.12278 3.14174 3.18959 3.22609 3.43386 -10.32091 -10.30789 -10.29946 -10.29859 -10.29718 -10.29697 -10.29660 -10.29537 -10.29394 -10.28998 -0.93405 -0.91912 -0.82764 -0.82223 -0.76860 -0.73613 -0.68485 -0.67114 -0.63807 -0.57572 -0.56689 -0.55031 -0.53759 -0.51462 -0.50835 -0.49821 -0.47311 -0.46049 -0.45218 -0.44539 -0.42622 -0.41459 -0.40695 -0.38920 -0.34988 -0.29101 -0.27758 0.00781 0.04758 0.13173 0.14985 0.15416 0.16487 0.18347 0.19134 0.19365 0.20160 0.21341 0.21848 0.22765 0.22905 0.24090 0.24469 0.25606 0.27017 0.28905 0.30123 0.31661 0.32600 0.36258 0.38940 0.43097 0.44569 0.46770 0.47239 0.49762 0.50877 0.51281 0.52703 0.55868 0.56720 0.57987 0.58826 0.60701 0.62158 0.63588 0.63980 0.65826 0.66248 0.67979 0.69042 0.69657 0.70813 0.72259 0.72622 0.73084 0.74342 0.75103 0.75444 0.75734 0.75941 0.76902 0.77215 0.77326 0.78331 0.78767 0.79206 0.80491 0.80793 0.81836 0.82446 0.83175 0.84958 0.85718 0.91886 0.92544 0.92794 0.95728 0.98449 1.01510 1.06163 1.08882 1.10587 1.14154 1.17171 1.21213 1.27866 1.32465 1.33155 1.34250 1.36929 1.38870 1.41912 1.43866 1.44981 1.47223 1.51358 1.57694 1.60003 1.61737 1.66395 1.70094 1.71136 1.74752 1.76229 1.77130 1.79017 1.81855 1.82109 1.83062 1.85125 1.85535 1.85669 1.86277 1.87711 1.88666 1.89915 1.90620 1.92472 1.92949 1.93532 1.95107 1.95537 1.97595 1.99078 1.99633 2.01479 2.02084 2.03720 2.05188 2.09030 2.09934 2.13137 2.14659 2.15266 2.18846 2.20160 2.22072 2.23458 2.27233 2.29932 2.32421 2.34585 2.37967 2.39291 2.39969 2.42381 2.44275 2.46416 2.46520 2.49656 2.51108 2.53324 2.53719 2.54527 2.61495 2.62312 2.66994 2.68717 2.75718 2.77115 2.79068 2.80318 2.88455 2.89294 2.91824 2.92838 2.93227 2.95569 2.97614 2.98253 3.04000 3.07398 3.09564 3.10409 3.12396 3.14347 3.17796 3.22897 3.42857 1-A. -0.8215 -1.0668 0.2157 1.3636 -56.6302 -61.6683 -62.5665 0.0485 0.4808 0.3996 3.6581 -1.3799 -2.2782 0.0485 0.4808 0.3996 6.9453 -4.3729 1.6038 1.6242 0.7130 -0.6058 -6.6862 -2.2579 0.2050 0.2196 -2255.7720 -443.8089 -120.9619 1.9264 6.8230 4.3485 1.0256 0.1289 0.6089 -443.6456 -391.4648 -98.8451 -1.7255 1.0857 -1.5575 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;4;6;7;13;14;15;18;5;8;9;10;11;12;16;17;19;20;21;22;23;24/rA:24nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:.4658,-.2508,-.0669;1.2807,-1.3118,-.0683;.9277,1.0351,-.1445;2.7728,-1.034,-.1837;.9227,-2.3486,-.0753;2.1843,1.4485,-.0068;3.1865,.3476,.3512;3.3512,-1.8164,.3314;3.0442,-1.112,-1.2554;2.5194,2.4892,-.0575;3.2689,.3104,1.4552;4.1904,.6035,-.0213;-1.4481,-.5505,.0581;-3.3341,-.8496,.1514;-1.9869,.8426,-.3126;-1.2901,-1.3369,-.6828;-1.2993,-.7927,1.1132;-3.4395,.6554,.1409;-3.6114,-1.4117,1.0498;-3.6227,-1.3625,-.7733;-1.8992,.9906,-1.3996;-1.4196,1.6527,.1744;-4.2065,1.0771,-.5255;-3.6042,1.0613,1.15; 0.000000 1.337848 0.000000 1.368533 2.374531 0.000000 2.439129 1.522183 2.772509 0.000000 2.147007 1.096862 3.384401 2.272241 0.000000 2.417499 2.905099 1.329946 2.557375 4.001771 0.000000 2.816906 2.561611 2.412491 1.538185 3.546320 1.531122 0.000000 3.306871 2.168291 3.772344 1.100933 2.519230 3.483587 2.170372 0.000000 2.966943 2.135280 3.213097 1.108307 2.724481 2.975733 2.175331 1.763028 0.000000 3.424136 3.997783 2.157604 3.534513 5.094508 1.094505 2.279971 4.402403 3.831395 0.000000 3.238643 2.984186 2.926608 2.176986 3.862267 2.146847 1.107732 2.406817 3.069396 2.756305 0.000000 3.821550 3.483829 3.293335 2.171898 4.404058 2.176802 1.100910 2.585438 2.404122 2.519772 1.764998 0.000000 1.941244 2.835792 2.863519 4.255380 2.978496 4.146603 4.729879 4.970970 4.713989 4.999386 4.994260 5.755882 0.000000 3.852976 4.643055 4.669354 6.118877 4.518676 5.979860 6.632581 6.757260 6.536905 6.741973 6.829678 7.665427 1.911851 0.000000 2.696537 3.921463 2.925781 5.117856 4.324957 4.225998 5.239168 5.998320 5.479172 4.804421 5.570546 6.188691 1.538954 2.212202 0.000000 2.154638 2.643366 3.291723 4.104702 2.507797 4.504149 4.893576 4.775012 4.377826 5.435336 5.298045 5.851404 1.091965 2.260778 2.317930 0.000000 2.191368 2.884751 3.143673 4.280495 2.961512 4.291048 4.690811 4.825639 4.957728 5.169541 4.711924 5.776979 1.092749 2.251360 2.275964 1.876691 0.000000 4.014420 5.117968 4.392977 6.446083 5.300865 5.681332 6.636431 7.229087 6.863837 6.237788 6.844583 7.631738 2.329532 1.508731 1.533248 3.044281 2.760942 0.000000 4.383908 5.019248 5.293139 6.513299 4.764642 6.548855 7.056568 7.011327 7.049960 7.350506 7.104127 8.128752 2.530851 1.095439 3.094710 2.897563 2.394373 2.264635 0.000000 4.295410 4.954040 5.181708 6.431016 4.703181 6.496915 7.110101 7.075433 6.689018 7.285089 7.433573 8.091612 2.465638 1.096073 2.783955 2.334431 3.046562 2.222875 1.823782 0.000000 2.985036 4.145507 3.093380 5.234972 4.568042 4.338729 5.416891 6.200192 5.373947 4.854987 5.943205 6.255567 2.168770 2.801975 1.100579 2.510438 3.139231 2.204143 3.834407 2.983232 0.000000 2.690022 4.017312 2.448125 4.992286 4.643154 3.614257 4.790686 5.900855 5.441905 4.033534 5.042254 5.710615 2.206418 3.150706 1.102340 3.112778 2.622189 2.252857 3.867893 3.852601 1.773702 0.000000 4.878959 6.002112 5.148568 7.299631 6.184390 6.422589 7.480458 8.137941 7.609112 6.888462 7.771282 8.425331 3.255561 2.220696 2.242166 3.789136 3.825400 1.100162 3.004970 2.520637 2.468884 2.930527 0.000000 4.446031 5.565767 4.713264 6.843623 5.798374 5.915628 6.874647 7.571595 7.396695 6.402738 6.920710 7.895361 2.904969 2.172912 2.191532 3.803343 2.958246 1.100022 2.475017 3.094158 3.068017 2.464499 1.780570 0.000000 C10H14 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 0 120.107 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;18;5;8;9;10;11;12;16;17;19;20;21;22;23;24/rA:24nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:.4658,-.2508,-.0668;1.2807,-1.3118,-.0682;.9277,1.0351,-.1444;2.7728,-1.0339,-.1837;.9227,-2.3486,-.0753;2.1843,1.4485,-.0067;3.1865,.3477,.3512;3.3512,-1.8164,.3314;3.0442,-1.112,-1.2554;2.5194,2.4892,-.0574;3.2689,.3104,1.4552;4.1904,.6036,-.0213;-1.4481,-.5505,.0582;-3.3341,-.8496,.1515;-1.9868,.8426,-.3125;-1.2901,-1.3369,-.6827;-1.2993,-.7927,1.1133;-3.4395,.6554,.141;-3.6114,-1.4117,1.0498;-3.6227,-1.3625,-.7732;-1.8992,.9906,-1.3996;-1.4196,1.6527,.1745;-4.2065,1.0771,-.5255;-3.6042,1.0613,1.15; 3.5164582 0.6402489 0.5594513 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;4;6;7;13;14;15;18;5;8;9;10;11;12;16;17;19;20;21;22;23;24/rA:24nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:.4658,-.2508,-.0669;1.2807,-1.3118,-.0683;.9277,1.0351,-.1445;2.7728,-1.034,-.1837;.9227,-2.3486,-.0753;2.1843,1.4485,-.0068;3.1865,.3476,.3512;3.3512,-1.8164,.3314;3.0442,-1.112,-1.2554;2.5194,2.4892,-.0575;3.2689,.3104,1.4552;4.1904,.6035,-.0213;-1.4481,-.5505,.0581;-3.3341,-.8496,.1514;-1.9869,.8426,-.3126;-1.2901,-1.3369,-.6828;-1.2993,-.7927,1.1132;-3.4395,.6554,.1409;-3.6114,-1.4117,1.0498;-3.6227,-1.3625,-.7733;-1.8992,.9906,-1.3996;-1.4196,1.6527,.1744;-4.2065,1.0771,-.5255;-3.6042,1.0613,1.15; 0.000000 1.337848 0.000000 1.368533 2.374531 0.000000 2.439129 1.522183 2.772509 0.000000 2.147007 1.096862 3.384401 2.272241 0.000000 2.417499 2.905099 1.329946 2.557375 4.001771 0.000000 2.816906 2.561611 2.412491 1.538185 3.546320 1.531122 0.000000 3.306871 2.168291 3.772344 1.100933 2.519230 3.483587 2.170372 0.000000 2.966943 2.135280 3.213097 1.108307 2.724481 2.975733 2.175331 1.763028 0.000000 3.424136 3.997783 2.157604 3.534513 5.094508 1.094505 2.279971 4.402403 3.831395 0.000000 3.238643 2.984186 2.926608 2.176986 3.862267 2.146847 1.107732 2.406817 3.069396 2.756305 0.000000 3.821550 3.483829 3.293335 2.171898 4.404058 2.176802 1.100910 2.585438 2.404122 2.519772 1.764998 0.000000 1.941244 2.835792 2.863519 4.255380 2.978496 4.146603 4.729879 4.970970 4.713989 4.999386 4.994260 5.755882 0.000000 3.852976 4.643055 4.669354 6.118877 4.518676 5.979860 6.632581 6.757260 6.536905 6.741973 6.829678 7.665427 1.911851 0.000000 2.696537 3.921463 2.925781 5.117856 4.324957 4.225998 5.239168 5.998320 5.479172 4.804421 5.570546 6.188691 1.538954 2.212202 0.000000 2.154638 2.643366 3.291723 4.104702 2.507797 4.504149 4.893576 4.775012 4.377826 5.435336 5.298045 5.851404 1.091965 2.260778 2.317930 0.000000 2.191368 2.884751 3.143673 4.280495 2.961512 4.291048 4.690811 4.825639 4.957728 5.169541 4.711924 5.776979 1.092749 2.251360 2.275964 1.876691 0.000000 4.014420 5.117968 4.392977 6.446083 5.300865 5.681332 6.636431 7.229087 6.863837 6.237788 6.844583 7.631738 2.329532 1.508731 1.533248 3.044281 2.760942 0.000000 4.383908 5.019248 5.293139 6.513299 4.764642 6.548855 7.056568 7.011327 7.049960 7.350506 7.104127 8.128752 2.530851 1.095439 3.094710 2.897563 2.394373 2.264635 0.000000 4.295410 4.954040 5.181708 6.431016 4.703181 6.496915 7.110101 7.075433 6.689018 7.285089 7.433573 8.091612 2.465638 1.096073 2.783955 2.334431 3.046562 2.222875 1.823782 0.000000 2.985036 4.145507 3.093380 5.234972 4.568042 4.338729 5.416891 6.200192 5.373947 4.854987 5.943205 6.255567 2.168770 2.801975 1.100579 2.510438 3.139231 2.204143 3.834407 2.983232 0.000000 2.690022 4.017312 2.448125 4.992286 4.643154 3.614257 4.790686 5.900855 5.441905 4.033534 5.042254 5.710615 2.206418 3.150706 1.102340 3.112778 2.622189 2.252857 3.867893 3.852601 1.773702 0.000000 4.878959 6.002112 5.148568 7.299631 6.184390 6.422589 7.480458 8.137941 7.609112 6.888462 7.771282 8.425331 3.255561 2.220696 2.242166 3.789136 3.825400 1.100162 3.004970 2.520637 2.468884 2.930527 0.000000 4.446031 5.565767 4.713264 6.843623 5.798374 5.915628 6.874647 7.571595 7.396695 6.402738 6.920710 7.895361 2.904969 2.172912 2.191532 3.803343 2.958246 1.100022 2.475017 3.094158 3.068017 2.464499 1.780570 0.000000 C10H14 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 0 120.107 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;18;5;8;9;10;11;12;16;17;19;20;21;22;23;24/rA:24nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:.4658,-.2508,-.0668;1.2807,-1.3118,-.0682;.9277,1.0351,-.1444;2.7728,-1.0339,-.1837;.9227,-2.3486,-.0753;2.1843,1.4485,-.0067;3.1865,.3477,.3512;3.3512,-1.8164,.3314;3.0442,-1.112,-1.2554;2.5194,2.4892,-.0574;3.2689,.3104,1.4552;4.1904,.6036,-.0213;-1.4481,-.5505,.0582;-3.3341,-.8496,.1515;-1.9868,.8426,-.3125;-1.2901,-1.3369,-.6827;-1.2993,-.7927,1.1133;-3.4395,.6554,.141;-3.6114,-1.4117,1.0498;-3.6227,-1.3625,-.7732;-1.8992,.9906,-1.3996;-1.4196,1.6527,.1745;-4.2065,1.0771,-.5255;-3.6042,1.0613,1.15; 3.5164582 0.6402489 0.5594513 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= 220 220 220 220 220 MxSgAt= 24 MxSgA2= 24. 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= 220 220 220 220 220 MxSgAt= 24 MxSgA2= 24. 1 0.6575 Using compressed storage, NAtomX= 24. Will process 25 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=111111111111111111111111 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. 7209 words used for storage of precomputed grid. Keep R1 and R2 ints in memory in canonical form, NReq=999035931. 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= 22155 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 75 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 72 vectors produced by pass 0 Test12= 1.71D-14 1.33D-09 XBig12= 1.97D+02 6.82D+00. AX will form 72 AO Fock derivatives at one time. 72 vectors produced by pass 1 Test12= 1.71D-14 1.33D-09 XBig12= 1.46D+01 6.48D-01. 72 vectors produced by pass 2 Test12= 1.71D-14 1.33D-09 XBig12= 5.26D-01 1.63D-01. 72 vectors produced by pass 3 Test12= 1.71D-14 1.33D-09 XBig12= 9.91D-03 1.67D-02. 72 vectors produced by pass 4 Test12= 1.71D-14 1.33D-09 XBig12= 1.29D-04 1.13D-03. 72 vectors produced by pass 5 Test12= 1.71D-14 1.33D-09 XBig12= 1.28D-06 1.33D-04. 72 vectors produced by pass 6 Test12= 1.71D-14 1.33D-09 XBig12= 1.21D-08 9.63D-06. 35 vectors produced by pass 7 Test12= 1.71D-14 1.33D-09 XBig12= 8.53D-11 8.29D-07. 7 vectors produced by pass 8 Test12= 1.71D-14 1.33D-09 XBig12= 5.47D-13 7.03D-08. 3 vectors produced by pass 9 Test12= 1.71D-14 1.33D-09 XBig12= 4.04D-15 9.60D-09. InvSVY: IOpt=1 It= 1 EMax= 5.33D-15 Solved reduced A of dimension 549 with 75 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 132.36 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 204.426 22.391 117.860 -2.019 -0.134 74.808 175.798 23.201 138.037 -1.740 -0.730 89.946 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 C C C C H C C H H H H H C C C H H C H H H H H H 13 13 13 13 1 13 13 1 1 1 1 1 13 13 13 1 1 13 1 1 1 1 1 1 0.27111 -0.07173 -0.40366 0.02768 0.00434 0.02070 -0.04743 -0.00084 -0.00329 -0.00856 0.00377 0.00010 0.03403 0.23683 0.07885 0.02000 0.01469 -0.02505 -0.00511 -0.00559 -0.00070 -0.00000 0.00293 0.00057 152.38712 -40.31816 -226.89497 15.55661 9.70331 11.63331 -26.66203 -1.88169 -7.34968 -19.12275 8.42162 0.23199 19.12617 133.11945 44.32120 44.70579 32.82876 -14.08037 -11.41643 -12.49017 -1.56340 -0.00608 6.54775 1.27273 54.37551 -14.38652 -80.96177 5.55098 3.46238 4.15105 -9.51368 -0.67143 -2.62255 -6.82347 3.00504 0.08278 6.82469 47.50033 15.81491 15.95214 11.71412 -5.02422 -4.07367 -4.45680 -0.55786 -0.00217 2.33640 0.45414 50.83087 -13.44869 -75.68402 5.18913 3.23668 3.88045 -8.89350 -0.62766 -2.45159 -6.37866 2.80915 0.07738 6.37980 44.40387 14.78396 14.91225 10.95050 -4.69670 -3.80811 -4.16627 -0.52149 -0.00203 2.18410 0.42454 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 0.342196 0.075406 -0.151736 0.020983 0.008592 -0.132512 -0.012092 -0.000434 -0.000292 -0.015911 0.000683 -0.004706 -0.138485 0.544889 -0.014195 0.007061 0.007702 -0.004013 -0.000703 -0.000367 -0.006459 -0.019518 -0.003449 -0.004258 -0.286048 0.064574 -0.027496 -0.009609 -0.008493 -0.049648 -0.018768 -0.000386 -0.001469 0.009042 0.003371 0.002145 0.057138 -0.273457 0.015129 -0.007320 -0.002907 0.006288 -0.015681 -0.019215 0.003965 0.013651 0.006012 0.006805 -0.056149 -0.139979 0.179232 -0.011373 -0.000100 0.182160 0.030860 0.000820 0.001761 0.006869 -0.004054 0.002561 0.081347 -0.271432 -0.000933 0.000259 -0.004795 -0.002275 0.016384 0.019581 0.002495 0.005867 -0.002563 -0.002547 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 0.110218 0.008729 0.546577 0.008405 -0.011134 -0.014926 0.048473 0.000549 0.001238 -0.005255 0.002145 -0.000799 -0.077686 -0.046048 -0.000138 -0.001048 -0.002012 -0.010676 0.005652 0.005819 -0.000405 0.001973 -0.003401 -0.002342 -0.005908 0.012045 -0.124549 -0.003292 0.000501 -0.053735 -0.018353 0.000085 0.000251 -0.003292 -0.002297 0.002332 0.020883 -0.010535 -0.012373 -0.000333 0.000965 0.002310 -0.012936 0.014580 -0.005421 0.003528 0.001004 0.000250 -0.001493 -0.021415 0.118942 0.000946 -0.000103 0.031292 0.016596 -0.000951 -0.001018 -0.001445 0.001364 0.001910 0.008299 0.001846 -0.028363 -0.003476 0.004845 0.000706 -0.030658 0.028498 -0.005819 -0.001017 -0.002528 0.004703 -0.1679 0.9858 0.0019 0.0147 5.0E-4 0.9999 0.9857 0.1679 -0.0146 -0.3048 -0.0562 0.3611 -40.904 -7.546 48.451 -14.596 -2.693 17.288 -13.644 -2.517 16.161 1 C 13 -0.059 0.1049 0.9927 -0.482 0.8679 -0.1203 0.8742 0.4856 6.0E-4 -0.143 0.0627 0.0803 -19.184 8.413 10.77 -6.845 3.002 3.843 -6.399 2.806 3.593 2 C 13 0.7306 -0.6536 0.1977 -0.1627 0.1145 0.98 0.6632 0.7481 0.0227 -0.6744 0.2138 0.4606 -90.501 28.691 61.81 -32.293 10.238 22.055 -30.188 9.57 20.617 3 C 13 0.2334 -0.685 0.6902 -0.11 0.6866 0.7187 0.9661 0.2436 -0.0849 -0.0134 -0.01 0.0234 -1.802 -1.337 3.139 -0.643 -0.477 1.12 -0.601 -0.446 1.047 4 C 13 0.4424 0.8968 -0.0093 -0.0271 0.0237 0.9994 0.8964 -0.4419 0.0348 -0.014 -1.0E-4 0.0141 -7.462 -0.062 7.523 -2.662 -0.022 2.684 -2.489 -0.021 2.509 5 H 1 0.9826 0.1066 0.1524 -0.0836 0.9851 -0.1501 -0.1661 0.1347 0.9769 -0.1425 -0.0531 0.1956 -19.117 -7.132 26.249 -6.822 -2.545 9.366 -6.377 -2.379 8.756 6 C 13 -0.6664 0.7068 -0.2375 0.601 0.6976 0.3901 -0.4414 -0.1172 0.8896 -0.07 0.0323 0.0378 -9.399 4.33 5.069 -3.354 1.545 1.809 -3.135 1.444 1.691 7 C 13 -0.5456 0.7527 0.3684 0.8304 0.4267 0.3582 -0.1124 -0.5014 0.8579 -0.0012 -1.0E-4 0.0014 -0.667 -0.061 0.728 -0.238 -0.022 0.26 -0.222 -0.02 0.243 8 H 1 -0.498 0.8361 0.23 0.8656 0.4632 0.1904 -0.0527 -0.2939 0.9544 -0.0025 4.0E-4 0.0021 -1.327 0.227 1.099 -0.473 0.081 0.392 -0.442 0.076 0.367 9 H 1 0.9693 0.1998 0.1429 -0.1862 0.218 0.958 -0.1603 0.9553 -0.2485 -0.0175 0.0072 0.0103 -9.326 3.831 5.495 -3.328 1.367 1.961 -3.111 1.278 1.833 10 H 1 0.4099 -0.2349 0.8814 0.7762 -0.4176 -0.4723 0.479 0.8777 0.0112 -0.0055 9.0E-4 0.0046 -2.927 0.494 2.433 -1.044 0.176 0.868 -0.976 0.165 0.811 11 H 1 0.9361 0.1719 -0.307 -0.3192 0.7818 -0.5356 0.148 0.5994 0.7867 -0.0056 0.0012 0.0045 -2.997 0.62 2.377 -1.069 0.221 0.848 -1.0 0.207 0.793 12 H 1 0.9403 0.3283 -0.0898 0.25 -0.487 0.8369 -0.231 0.8093 0.54 -0.1676 0.0828 0.0849 -22.491 11.105 11.386 -8.025 3.963 4.063 -7.502 3.704 3.798 13 C 13 0.0509 0.9662 -0.2527 0.0267 0.2516 0.9675 0.9983 -0.056 -0.013 -0.2764 -0.2712 0.5476 -37.086 -36.398 73.484 -13.233 -12.988 26.221 -12.371 -12.141 24.512 14 C 13 0.5702 0.4432 0.6917 0.8086 -0.4513 -0.3774 0.1449 0.7745 -0.6158 -0.0293 -0.0083 0.0377 -3.933 -1.12 5.053 -1.403 -0.399 1.803 -1.312 -0.373 1.685 15 C 13 0.0693 0.9299 0.3614 -0.0125 -0.3614 0.9323 0.9975 -0.0691 -0.0134 -0.0087 0.0016 0.0071 -4.668 0.859 3.809 -1.666 0.307 1.359 -1.557 0.287 1.27 16 H 1 -0.1207 -0.6398 0.759 0.13 0.7478 0.6511 0.9841 -0.1773 0.007 -0.009 0.001 0.0081 -4.82 0.513 4.306 -1.72 0.183 1.537 -1.608 0.171 1.436 17 H 1 0.8234 0.5093 -0.2501 0.1898 0.1681 0.9673 -0.5348 0.844 -0.0418 -0.0113 -0.0017 0.013 -1.519 -0.228 1.747 -0.542 -0.081 0.623 -0.507 -0.076 0.583 18 C 13 0.0604 0.8475 0.5274 0.9431 -0.2215 0.2479 -0.3269 -0.4824 0.8126 -0.0344 -0.0054 0.0398 -18.332 -2.898 21.23 -6.541 -1.034 7.575 -6.115 -0.967 7.082 19 H 1 0.0548 0.8767 -0.4778 0.9328 -0.2157 -0.2888 0.3563 0.4299 0.8296 -0.0344 -0.0062 0.0406 -18.344 -3.322 21.666 -6.546 -1.185 7.731 -6.119 -1.108 7.227 20 H 1 0.8429 0.2319 0.4856 -0.4928 0.6951 0.5234 -0.2162 -0.6804 0.7002 -0.0097 -1.0E-4 0.0098 -5.172 -0.069 5.241 -1.846 -0.025 1.87 -1.725 -0.023 1.748 21 H 1 0.9887 -0.0618 -0.1366 0.1422 0.0978 0.985 0.0476 0.9933 -0.1055 -0.0201 0.0063 0.0139 -10.74 3.348 7.391 -3.832 1.195 2.637 -3.582 1.117 2.466 22 H 1 0.9526 0.2751 -0.1301 0.05 0.2801 0.9587 -0.3002 0.9197 -0.253 -0.0046 -0.0032 0.0078 -2.438 -1.733 4.171 -0.87 -0.618 1.488 -0.813 -0.578 1.391 23 H 1 -3.23215909e-01 -4.19699315e-01 8.48533202e-02 2.04425986e+02 2.23913730e+01 1.17860267e+02 -2.01915766e+00 -1.34438402e-01 7.48077539e+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 6 6 6 6 1 6 6 1 1 1 1 1 6 6 6 1 1 6 1 1 1 1 1 1 0.000006210 -0.000003054 0.000011232 -0.000002606 -0.000000767 0.000000976 -0.000011224 0.000004240 -0.000003178 -0.000000316 0.000000646 -0.000001102 0.000000208 -0.000000127 -0.000001894 0.000001273 -0.000005641 0.000000997 0.000000835 0.000000834 0.000000841 -0.000001445 0.000000212 0.000000789 0.000001361 -0.000000634 0.000000154 -0.000000204 0.000000598 0.000000399 0.000001393 -0.000000496 0.000000327 0.000000028 -0.000000044 -0.000000563 -0.000003571 0.000006628 0.000000275 0.000002513 -0.000000020 -0.000005505 -0.000003336 -0.000002838 -0.000005563 -0.000002136 -0.000003231 -0.000003520 0.000007418 0.000001952 -0.000001261 0.000000021 0.000001979 0.000005602 0.000001745 -0.000000409 0.000000448 0.000000324 0.000000240 -0.000000340 0.000000579 0.000001329 0.000000717 0.000000755 -0.000001095 0.000000664 0.000000644 -0.000000321 -0.000000275 -0.000000471 0.000000018 -0.000000218 0.000011232 0.000003034 (Enter /u/local/apps/gaussian/G16_C02/g16_avx2/l716.exe) open 1 1 1 -388.722430397261 -388.762693910491 -0.040263513230 -388.811543122811 -0.048849212320 -388.819414618265 -0.007871495454 -388.820811256860 -0.001396638596 -388.821747901126 -0.000936644266 -388.821981082997 -0.000233181871 -388.822057960495 -0.000076877498 -388.822102267330 -0.000044306835 -388.822118197673 -0.000015930343 -388.822122785566 -0.000004587893 -388.822125358181 -0.000002572615 -388.822126235049 -0.000000876867 -388.822126801383 -0.000000566335 -388.822127114831 -0.000000313448 -388.822127191732 -0.000000076901 -388.822127210802 -0.000000019071 -388.822127215983 -0.000000005181 -388.822127216763 -0.000000000780 -388.822127216967 -0.000000000204 -388.822127217001 -0.000000000035 -388.822127217001 0.000000000000 -388.822127217 22 0.6574 3.841673588504e+02 -1.876171023149e+03 6.142200705006e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 3221225472 LenX= 3221122938 LenY= 3221074097 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. 0.6574 Using compressed storage, NAtomX= 24. Will process 25 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=111111111111111111111111 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. 7209 words used for storage of precomputed grid. Keep R1 and R2 ints in memory in canonical form, NReq=999035931. 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= 22155 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 75 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 72 vectors produced by pass 0 Test12= 1.71D-14 1.33D-09 XBig12= 1.97D+02 6.82D+00. AX will form 72 AO Fock derivatives at one time. 72 vectors produced by pass 1 Test12= 1.71D-14 1.33D-09 XBig12= 1.46D+01 6.48D-01. 72 vectors produced by pass 2 Test12= 1.71D-14 1.33D-09 XBig12= 5.26D-01 1.63D-01. 72 vectors produced by pass 3 Test12= 1.71D-14 1.33D-09 XBig12= 9.91D-03 1.67D-02. 72 vectors produced by pass 4 Test12= 1.71D-14 1.33D-09 XBig12= 1.29D-04 1.13D-03. 72 vectors produced by pass 5 Test12= 1.71D-14 1.33D-09 XBig12= 1.28D-06 1.33D-04. 72 vectors produced by pass 6 Test12= 1.71D-14 1.33D-09 XBig12= 1.21D-08 9.62D-06. 35 vectors produced by pass 7 Test12= 1.71D-14 1.33D-09 XBig12= 8.53D-11 8.29D-07. 7 vectors produced by pass 8 Test12= 1.71D-14 1.33D-09 XBig12= 5.47D-13 7.04D-08. 3 vectors produced by pass 9 Test12= 1.71D-14 1.33D-09 XBig12= 4.05D-15 9.61D-09. InvSVY: IOpt=1 It= 1 EMax= 3.55D-15 Solved reduced A of dimension 549 with 75 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 132.37 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 204.428 22.396 117.866 -2.019 -0.147 74.807 175.799 23.205 138.041 -1.738 -0.746 89.946 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 C C C C H C C H H H H H C C C H H C H H H H H H 13 13 13 13 1 13 13 1 1 1 1 1 13 13 13 1 1 13 1 1 1 1 1 1 0.27104 -0.07172 -0.40371 0.02768 0.00434 0.02068 -0.04743 -0.00084 -0.00329 -0.00855 0.00377 0.00010 0.03402 0.23682 0.07883 0.02000 0.01469 -0.02505 -0.00511 -0.00559 -0.00070 -0.00000 0.00293 0.00057 152.34833 -40.31524 -226.92237 15.55618 9.70426 11.62647 -26.65805 -1.88407 -7.34908 -19.11900 8.42135 0.23346 19.12517 133.11489 44.31276 44.70818 32.83336 -14.07980 -11.41766 -12.49042 -1.56451 -0.00581 6.54950 1.27259 54.36167 -14.38548 -80.97154 5.55083 3.46272 4.14861 -9.51226 -0.67228 -2.62233 -6.82213 3.00495 0.08330 6.82433 47.49870 15.81189 15.95299 11.71576 -5.02402 -4.07411 -4.45689 -0.55826 -0.00207 2.33702 0.45409 50.81793 -13.44772 -75.69315 5.18898 3.23699 3.87817 -8.89217 -0.62846 -2.45139 -6.37741 2.80906 0.07787 6.37947 44.40235 14.78115 14.91304 10.95203 -4.69652 -3.80852 -4.16636 -0.52186 -0.00194 2.18468 0.42449 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 0.342154 0.075391 -0.151749 0.020982 0.008591 -0.132507 -0.012094 -0.000434 -0.000292 -0.015910 0.000683 -0.004705 -0.138474 0.544890 -0.014202 0.007061 0.007702 -0.004012 -0.000704 -0.000365 -0.006467 -0.019509 -0.003450 -0.004257 -0.286010 0.064550 -0.027354 -0.009607 -0.008493 -0.049619 -0.018747 -0.000387 -0.001470 0.009041 0.003372 0.002147 0.057126 -0.273460 0.015149 -0.007320 -0.002910 0.006287 -0.015639 -0.019253 0.003973 0.013649 0.006016 0.006799 -0.056144 -0.139941 0.179103 -0.011374 -0.000098 0.182126 0.030841 0.000821 0.001762 0.006870 -0.004055 0.002558 0.081348 -0.271430 -0.000946 0.000259 -0.004793 -0.002275 0.016343 0.019619 0.002494 0.005860 -0.002566 -0.002542 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 0.110245 0.008743 0.546473 0.008400 -0.011132 -0.014950 0.048460 0.000550 0.001238 -0.005256 0.002144 -0.000798 -0.077697 -0.046058 -0.000135 -0.001051 -0.002010 -0.010679 0.005659 0.005810 -0.000402 0.001975 -0.003401 -0.002341 -0.005894 0.012062 -0.124784 -0.003292 0.000506 -0.053751 -0.018375 0.000085 0.000250 -0.003291 -0.002298 0.002332 0.020857 -0.010615 -0.012358 -0.000333 0.000964 0.002306 -0.012931 0.014586 -0.005420 0.003545 0.001003 0.000250 -0.001382 -0.021478 0.119041 0.000946 -0.000101 0.031383 0.016617 -0.000950 -0.001016 -0.001446 0.001360 0.001910 0.008296 0.001849 -0.028343 -0.003476 0.004847 0.000715 -0.030680 0.028471 -0.005818 -0.001017 -0.002521 0.004710 -0.168 0.9858 0.0015 0.0145 0.001 0.9999 0.9857 0.168 -0.0145 -0.3048 -0.0562 0.361 -40.901 -7.546 48.447 -14.594 -2.692 17.287 -13.643 -2.517 16.16 1 C 13 -0.0591 0.1052 0.9927 -0.4822 0.8677 -0.1207 0.8741 0.4858 5.0E-4 -0.1429 0.0627 0.0803 -19.181 8.411 10.77 -6.844 3.001 3.843 -6.398 2.806 3.592 2 C 13 0.7306 -0.6535 0.198 -0.1628 0.1149 0.98 0.6631 0.7482 0.0224 -0.6744 0.2138 0.4606 -90.493 28.688 61.805 -32.29 10.237 22.054 -30.185 9.569 20.616 3 C 13 0.2332 -0.6846 0.6906 -0.1101 0.6871 0.7182 0.9662 0.2435 -0.0849 -0.0134 -0.01 0.0234 -1.801 -1.337 3.139 -0.643 -0.477 1.12 -0.601 -0.446 1.047 4 C 13 0.4424 0.8968 -0.0096 -0.0272 0.0241 0.9993 0.8964 -0.4419 0.0351 -0.014 -1.0E-4 0.0141 -7.461 -0.061 7.522 -2.662 -0.022 2.684 -2.489 -0.02 2.509 5 H 1 0.9825 0.1067 0.1524 -0.0836 0.9851 -0.1505 -0.1662 0.1351 0.9768 -0.1425 -0.0531 0.1956 -19.118 -7.132 26.249 -6.822 -2.545 9.366 -6.377 -2.379 8.756 6 C 13 -0.6664 0.7067 -0.2378 0.6009 0.6978 0.3898 -0.4414 -0.1169 0.8897 -0.07 0.0323 0.0378 -9.398 4.329 5.069 -3.354 1.545 1.809 -3.135 1.444 1.691 7 C 13 -0.5457 0.7529 0.3679 0.8304 0.4269 0.358 -0.1125 -0.5009 0.8582 -0.0012 -1.0E-4 0.0014 -0.667 -0.061 0.728 -0.238 -0.022 0.26 -0.222 -0.02 0.243 8 H 1 -0.498 0.8362 0.2295 0.8655 0.4633 0.1902 -0.0527 -0.2933 0.9546 -0.0025 4.0E-4 0.0021 -1.326 0.227 1.099 -0.473 0.081 0.392 -0.442 0.076 0.367 9 H 1 0.9693 0.1999 0.1429 -0.1863 0.2184 0.9579 -0.1603 0.9552 -0.2489 -0.0175 0.0072 0.0103 -9.326 3.831 5.495 -3.328 1.367 1.961 -3.111 1.278 1.833 10 H 1 0.4099 -0.2345 0.8815 0.7762 -0.4179 -0.4721 0.479 0.8777 0.0108 -0.0055 9.0E-4 0.0046 -2.926 0.494 2.432 -1.044 0.176 0.868 -0.976 0.165 0.811 11 H 1 0.936 0.1717 -0.3071 -0.3192 0.7815 -0.536 0.148 0.5998 0.7863 -0.0056 0.0012 0.0045 -2.997 0.62 2.376 -1.069 0.221 0.848 -1.0 0.207 0.793 12 H 1 0.9403 0.3284 -0.0897 0.2501 -0.4876 0.8365 -0.2309 0.8089 0.5406 -0.1676 0.0827 0.0849 -22.49 11.104 11.386 -8.025 3.962 4.063 -7.502 3.704 3.798 13 C 13 0.0509 0.9663 -0.2522 0.0268 0.2511 0.9676 0.9983 -0.056 -0.0131 -0.2764 -0.2712 0.5476 -37.086 -36.398 73.485 -13.233 -12.988 26.221 -12.371 -12.141 24.512 14 C 13 0.5705 0.4429 0.6916 0.8084 -0.4512 -0.3779 0.1447 0.7748 -0.6155 -0.0293 -0.0083 0.0376 -3.93 -1.12 5.051 -1.402 -0.4 1.802 -1.311 -0.374 1.685 15 C 13 0.0694 0.9298 0.3614 -0.0127 -0.3614 0.9323 0.9975 -0.0693 -0.0133 -0.0087 0.0016 0.0071 -4.668 0.859 3.809 -1.666 0.307 1.359 -1.557 0.287 1.271 16 H 1 -0.1206 -0.6401 0.7588 0.1298 0.7477 0.6513 0.9842 -0.177 0.0071 -0.009 0.001 0.0081 -4.821 0.514 4.306 -1.72 0.184 1.537 -1.608 0.172 1.436 17 H 1 0.8233 0.5095 -0.2502 0.1902 0.1677 0.9673 -0.5348 0.844 -0.0412 -0.0113 -0.0017 0.013 -1.519 -0.228 1.747 -0.542 -0.081 0.623 -0.507 -0.076 0.583 18 C 13 0.0604 0.8471 0.528 0.9431 -0.2217 0.2477 -0.3269 -0.483 0.8123 -0.0344 -0.0054 0.0398 -18.332 -2.898 21.23 -6.541 -1.034 7.575 -6.115 -0.967 7.081 19 H 1 0.0548 0.8771 -0.4772 0.9328 -0.2156 -0.289 0.3563 0.4293 0.8299 -0.0344 -0.0062 0.0406 -18.345 -3.322 21.667 -6.546 -1.185 7.731 -6.119 -1.108 7.227 20 H 1 0.8432 0.2313 0.4853 -0.4923 0.695 0.5241 -0.216 -0.6808 0.6999 -0.0097 -1.0E-4 0.0098 -5.174 -0.069 5.243 -1.846 -0.025 1.871 -1.726 -0.023 1.749 21 H 1 0.9886 -0.0619 -0.1373 0.1429 0.0975 0.9849 0.0476 0.9933 -0.1053 -0.0201 0.0063 0.0139 -10.738 3.347 7.391 -3.832 1.194 2.637 -3.582 1.116 2.465 22 H 1 0.9525 0.275 -0.1306 0.0507 0.2796 0.9588 -0.3002 0.9199 -0.2524 -0.0046 -0.0032 0.0078 -2.438 -1.733 4.171 -0.87 -0.618 1.488 -0.813 -0.578 1.391 23 H 1 (Enter /u/local/apps/gaussian/G16_C02/g16_avx2/l716.exe) Rotating derivatives to standard orientation. PT4906.700S Mon Jun 30 03:09:44 2025 -10.31910 -10.31509 -10.30206 -10.30036 -10.29716 -10.29648 -10.29608 -10.29607 -10.29564 -10.27942 -0.93483 -0.92191 -0.83074 -0.81461 -0.77116 -0.74442 -0.68203 -0.66934 -0.64160 -0.57884 -0.57013 -0.54755 -0.53756 -0.51271 -0.50550 -0.50113 -0.47651 -0.46716 -0.44730 -0.44440 -0.42391 -0.41737 -0.40848 -0.38611 -0.36797 -0.27781 -0.24917 0.00681 0.04954 0.13079 0.14990 0.15302 0.16233 0.18301 0.19159 0.19366 0.20027 0.21050 0.21947 0.22332 0.22791 0.23896 0.24420 0.25675 0.26937 0.28837 0.30171 0.31582 0.32592 0.36519 0.38843 0.43188 0.44622 0.46729 0.47351 0.49838 0.51068 0.51196 0.52691 0.55609 0.56693 0.56937 0.59056 0.60818 0.62238 0.63590 0.64267 0.65491 0.66799 0.67990 0.69247 0.69416 0.70519 0.72145 0.72656 0.72987 0.74027 0.75209 0.75412 0.75676 0.75896 0.76702 0.77406 0.77454 0.78220 0.78673 0.79000 0.80408 0.81023 0.81732 0.82250 0.83490 0.85158 0.85690 0.92035 0.92604 0.92794 0.95652 0.98599 1.01292 1.06025 1.09021 1.10684 1.14244 1.17062 1.21277 1.27276 1.31911 1.33211 1.34065 1.36881 1.39028 1.41735 1.43797 1.44803 1.47220 1.52139 1.58081 1.59856 1.61584 1.66397 1.69700 1.71215 1.74707 1.76212 1.77275 1.79000 1.81790 1.82240 1.83123 1.85122 1.85456 1.85766 1.86318 1.87783 1.88759 1.90163 1.90288 1.92617 1.92970 1.93443 1.95338 1.95671 1.97607 1.99136 1.99584 2.01506 2.02429 2.03462 2.05178 2.09019 2.10025 2.12841 2.13831 2.15335 2.18483 2.20654 2.22174 2.23943 2.26730 2.29954 2.32538 2.34649 2.37974 2.39536 2.40150 2.42560 2.44087 2.45828 2.46563 2.49281 2.51360 2.52998 2.53642 2.54587 2.61251 2.62449 2.66863 2.68697 2.75933 2.77093 2.79339 2.79853 2.88417 2.89041 2.91461 2.92827 2.93380 2.95782 2.97497 2.98151 3.03456 3.07427 3.09513 3.10433 3.12279 3.14176 3.18956 3.22607 3.43388 -10.32091 -10.30789 -10.29946 -10.29859 -10.29717 -10.29697 -10.29660 -10.29537 -10.29394 -10.28998 -0.93405 -0.91912 -0.82764 -0.82223 -0.76860 -0.73613 -0.68486 -0.67114 -0.63808 -0.57572 -0.56690 -0.55031 -0.53759 -0.51462 -0.50835 -0.49821 -0.47311 -0.46049 -0.45218 -0.44539 -0.42622 -0.41459 -0.40696 -0.38920 -0.34989 -0.29101 -0.27757 0.00782 0.04758 0.13173 0.14985 0.15416 0.16487 0.18349 0.19133 0.19365 0.20161 0.21341 0.21848 0.22766 0.22905 0.24090 0.24467 0.25607 0.27017 0.28904 0.30121 0.31660 0.32600 0.36259 0.38938 0.43095 0.44570 0.46771 0.47240 0.49764 0.50877 0.51281 0.52702 0.55867 0.56720 0.57987 0.58828 0.60703 0.62159 0.63588 0.63978 0.65827 0.66251 0.67978 0.69041 0.69658 0.70813 0.72264 0.72622 0.73084 0.74344 0.75102 0.75444 0.75735 0.75940 0.76902 0.77216 0.77325 0.78333 0.78766 0.79206 0.80491 0.80793 0.81836 0.82444 0.83172 0.84961 0.85717 0.91886 0.92543 0.92794 0.95728 0.98451 1.01510 1.06161 1.08885 1.10596 1.14150 1.17181 1.21216 1.27863 1.32463 1.33151 1.34252 1.36931 1.38869 1.41913 1.43854 1.44982 1.47224 1.51360 1.57693 1.60001 1.61736 1.66396 1.70096 1.71135 1.74752 1.76234 1.77130 1.79018 1.81854 1.82108 1.83062 1.85126 1.85534 1.85668 1.86278 1.87710 1.88664 1.89916 1.90619 1.92472 1.92949 1.93531 1.95106 1.95537 1.97595 1.99079 1.99634 2.01479 2.02083 2.03719 2.05186 2.09029 2.09936 2.13138 2.14660 2.15268 2.18846 2.20157 2.22071 2.23461 2.27233 2.29934 2.32421 2.34585 2.37967 2.39293 2.39970 2.42384 2.44275 2.46415 2.46519 2.49657 2.51107 2.53322 2.53718 2.54526 2.61494 2.62312 2.66994 2.68720 2.75720 2.77115 2.79067 2.80315 2.88456 2.89294 2.91825 2.92837 2.93226 2.95568 2.97614 2.98253 3.03998 3.07400 3.09564 3.10408 3.12397 3.14349 3.17793 3.22894 3.42859 1-A. -3.23311817e-01 -4.19775008e-01 8.49631171e-02 2.04428100e+02 2.23964456e+01 1.17865722e+02 -2.01868516e+00 -1.46653365e-01 7.48065808e+01 -1252.1961 -8.7215 -6.7111 -0.0009 -0.0006 -0.0005 1.7707 28.0166 71.9293 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -1252.1961 27.9594 71.9268 107.8769 120.4304 190.6103 213.4750 239.7329 282.6888 297.3958 483.2004 551.1741 584.6706 610.6850 666.9497 717.2185 752.6196 778.7671 805.3570 811.8568 855.0053 897.7975 925.2662 943.1314 967.4011 980.3640 1000.2666 1030.5344 1049.0702 1070.8887 1089.6216 1107.5805 1124.3378 1170.7706 1173.1845 1221.2138 1230.9221 1256.0001 1257.5839 1296.3434 1308.0567 1324.9248 1346.6023 1373.1132 1416.7651 1445.4909 1447.8806 1451.6188 1461.2246 1489.9358 1660.4500 1721.0814 3008.0960 3015.4454 3061.9140 3078.7910 3106.9896 3110.8344 3121.0520 3127.5153 3130.0782 3144.3339 3157.5790 3185.3276 3221.0663 3258.5164 6.6636 2.5817 2.6069 2.0449 3.7342 2.1018 4.3647 2.0415 2.5559 3.9123 3.2234 4.1482 3.2748 5.0137 1.8104 1.2040 1.1647 1.5297 1.1920 1.2900 2.8943 2.2053 1.1484 2.1602 1.9734 1.5326 2.2910 1.9664 2.2640 1.8045 1.8837 1.1854 1.2442 1.5768 1.2043 1.4909 1.2674 1.2303 1.2021 1.4095 1.4349 1.4934 1.5854 1.5568 1.2704 1.1083 1.0814 1.0946 1.1113 1.1688 8.0005 9.2695 1.0728 1.0686 1.0618 1.0617 1.0927 1.0967 1.0570 1.0627 1.0976 1.1080 1.0916 1.0927 1.1172 1.1231 6.1561 0.0012 0.0079 0.0140 0.0319 0.0450 0.1172 0.0691 0.1203 0.2039 0.4434 0.7425 0.6596 1.1017 0.4745 0.3649 0.3887 0.5466 0.4555 0.5009 1.2466 1.0473 0.5793 1.1321 1.0881 0.8678 1.3506 1.2304 1.4680 1.2193 1.3177 0.8568 0.9267 1.2734 0.9766 1.3100 1.1314 1.1435 1.1201 1.3956 1.4465 1.5446 1.6938 1.7294 1.5025 1.3644 1.3357 1.3589 1.3980 1.5287 12.9963 16.1775 5.7195 5.7250 5.8652 5.9292 6.2146 6.2528 6.0666 6.1246 6.3359 6.4545 6.4124 6.5324 6.8296 7.0262 32.7022 0.1067 0.9164 1.4471 1.2086 1.0032 3.8447 0.6455 3.5629 1.2426 2.0075 29.4146 2.6063 4.5498 14.6036 1.5401 7.2917 28.5951 0.5882 6.7996 3.6676 4.4961 3.2942 3.3653 41.0794 7.8580 0.6404 1.3400 10.1564 19.7498 25.7981 6.6856 1.7705 2.6456 5.7187 0.5658 4.0449 1.4713 0.9994 1.1554 3.1544 2.6569 28.7591 21.0358 0.7937 3.3284 3.2020 1.8866 2.7658 1.3771 13.2010 8.5893 33.7478 47.9480 13.7355 46.7913 27.3574 20.4921 17.7664 5.4406 0.4438 23.2648 17.7150 25.9343 11.5242 0.1536 -0.28 -0.11 0.02 0.02 0.04 -0.00 0.03 0.05 -0.01 -0.01 -0.00 -0.01 0.02 0.04 0.05 0.01 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.02 0.01 -0.00 -0.01 -0.01 -0.04 0.00 -0.01 0.00 -0.00 0.01 0.01 0.56 0.14 -0.04 -0.28 -0.01 0.01 0.01 -0.03 0.00 -0.50 -0.17 0.06 -0.40 -0.14 0.03 0.01 -0.04 0.01 0.00 -0.04 0.06 0.00 -0.05 -0.04 -0.01 -0.01 0.01 -0.07 0.01 0.02 0.05 -0.00 -0.02 0.01 -0.01 -0.00 0.00 -0.01 -0.04 0.00 -0.01 0.09 0.00 -0.02 -0.14 0.01 -0.02 0.12 0.00 -0.01 0.18 -0.01 -0.00 -0.13 -0.01 0.03 0.01 -0.01 0.03 0.22 0.05 -0.12 0.14 -0.01 -0.01 -0.21 -0.05 0.14 0.01 -0.00 -0.00 0.02 -0.00 -0.01 -0.09 -0.01 -0.01 -0.16 0.01 0.06 0.16 -0.01 0.13 -0.24 -0.01 -0.21 -0.14 0.01 -0.01 0.14 -0.02 -0.19 -0.27 -0.01 0.17 -0.26 0.00 0.25 0.19 0.01 -0.03 0.30 0.01 0.13 0.23 0.02 -0.21 0.22 0.00 -0.01 -0.14 0.01 -0.00 -0.08 0.01 -0.01 -0.11 0.02 0.01 0.06 0.02 -0.01 -0.11 -0.01 -0.00 0.04 -0.06 -0.00 0.15 -0.03 0.00 0.10 0.13 0.05 0.09 -0.01 -0.00 0.07 -0.21 -0.03 0.16 -0.00 0.01 0.30 0.00 -0.00 -0.09 0.01 0.02 0.10 -0.04 -0.03 -0.15 -0.03 -0.06 -0.04 0.06 0.08 -0.08 0.06 0.02 0.16 0.09 -0.02 0.10 -0.09 0.08 0.10 -0.27 -0.18 -0.19 0.07 0.02 -0.37 -0.08 0.08 0.36 0.32 -0.01 0.22 0.00 -0.01 -0.11 0.00 -0.01 -0.08 0.00 -0.01 -0.11 0.01 0.00 0.02 0.00 -0.01 -0.09 -0.01 -0.01 -0.01 -0.05 -0.02 0.11 -0.02 -0.01 0.03 0.08 0.06 0.03 0.01 -0.01 -0.01 -0.21 -0.05 0.12 -0.00 -0.01 0.25 0.02 0.01 -0.01 0.04 -0.01 0.12 0.03 0.05 0.13 -0.05 0.07 -0.09 0.12 -0.08 -0.04 -0.04 -0.01 -0.10 0.12 0.14 0.24 -0.02 -0.19 0.24 0.21 0.24 0.17 -0.06 -0.03 0.36 0.07 -0.17 -0.32 -0.29 0.13 -0.20 0.00 0.18 -0.01 -0.11 0.09 0.01 0.12 0.13 -0.01 -0.08 -0.08 0.03 -0.23 0.13 0.01 0.18 -0.02 -0.02 0.06 -0.12 0.01 -0.18 -0.14 0.07 -0.07 -0.15 0.04 0.30 -0.06 -0.04 0.04 -0.11 0.01 0.09 -0.23 0.02 0.03 0.12 -0.01 0.08 -0.14 0.00 -0.14 0.05 -0.03 0.09 0.13 0.00 0.04 0.17 -0.00 -0.10 -0.15 0.02 0.15 -0.19 -0.00 0.14 -0.16 -0.00 -0.20 0.03 -0.04 -0.23 0.14 -0.07 -0.19 -0.24 0.06 -0.12 -0.19 0.03 -0.01 0.02 0.06 -0.02 0.01 -0.00 -0.01 0.01 -0.07 -0.04 0.04 -0.10 -0.03 0.01 0.01 -0.00 -0.01 -0.09 -0.10 -0.04 0.10 0.03 -0.02 -0.27 -0.13 0.25 -0.14 0.05 -0.04 -0.23 -0.40 -0.14 0.12 0.00 -0.05 0.38 0.03 0.01 0.17 0.07 -0.00 -0.09 0.05 -0.02 0.01 0.10 -0.07 0.27 -0.03 0.13 0.21 0.05 -0.01 -0.00 -0.07 -0.09 -0.19 0.21 0.09 -0.19 0.06 -0.15 -0.00 0.04 0.04 -0.07 0.04 0.05 0.04 0.08 -0.08 0.04 -0.08 0.02 0.00 -0.14 -0.01 0.02 -0.16 0.04 0.07 -0.15 -0.06 0.05 -0.20 0.00 -0.00 -0.15 0.01 0.05 -0.12 -0.01 -0.09 -0.18 -0.01 0.16 -0.11 -0.21 0.07 -0.14 0.01 0.13 0.06 0.05 -0.10 -0.17 -0.01 -0.25 0.13 0.03 -0.08 0.31 -0.01 0.02 0.14 0.04 -0.03 0.12 0.04 -0.11 0.15 0.01 -0.08 0.16 -0.02 0.00 0.40 -0.01 0.05 0.24 -0.05 0.06 0.14 0.09 -0.03 0.15 0.01 0.01 0.12 -0.10 0.00 0.16 -0.00 -0.01 0.01 -0.01 0.00 0.01 -0.01 0.22 0.02 -0.02 -0.09 -0.03 0.05 -0.11 0.02 -0.02 0.50 0.00 -0.01 0.08 0.00 -0.03 0.01 0.17 -0.02 -0.44 -0.33 0.32 -0.21 -0.02 0.00 0.26 -0.00 -0.11 0.01 0.00 -0.01 0.03 -0.00 0.01 -0.11 0.02 -0.01 0.03 -0.01 0.02 -0.03 -0.02 0.06 -0.17 0.03 -0.07 -0.13 -0.00 -0.01 0.00 0.10 0.03 0.08 -0.07 -0.05 0.08 -0.03 0.09 -0.02 -0.01 -0.00 0.01 -0.02 -0.04 0.00 -0.00 0.02 -0.01 0.00 0.01 0.20 0.01 0.01 -0.00 -0.00 0.01 0.17 -0.00 0.02 -0.03 0.00 0.02 -0.26 0.04 -0.01 -0.16 -0.03 -0.01 0.05 0.03 0.01 -0.09 -0.04 0.09 -0.05 0.10 -0.05 -0.52 -0.30 -0.04 0.06 0.06 -0.05 0.27 -0.01 -0.04 -0.18 -0.01 -0.00 0.06 0.01 0.00 -0.03 -0.00 0.08 -0.31 -0.02 -0.20 -0.22 0.02 0.00 0.01 0.13 0.07 0.15 -0.18 -0.06 0.15 -0.02 0.12 -0.02 0.03 -0.06 0.03 0.01 -0.03 -0.00 0.02 0.06 -0.01 0.04 -0.17 0.06 0.11 -0.13 -0.02 -0.06 -0.15 0.05 0.10 -0.00 -0.01 0.20 -0.16 -0.10 -0.09 -0.05 -0.02 -0.01 0.03 0.00 0.17 0.05 -0.02 0.11 0.03 -0.01 -0.16 -0.03 -0.11 -0.04 0.03 0.01 -0.02 0.11 0.03 0.02 0.26 0.01 0.11 -0.02 -0.01 -0.12 0.20 -0.05 0.01 0.23 0.04 -0.03 0.37 0.04 -0.10 -0.04 0.01 0.16 -0.09 -0.03 0.19 -0.04 -0.03 -0.20 0.18 -0.06 -0.21 0.29 -0.09 -0.19 -0.14 0.06 -0.11 -0.08 0.03 0.20 0.06 0.02 0.10 -0.01 0.05 -0.10 0.16 0.01 0.11 -0.16 -0.07 -0.04 0.04 0.23 -0.07 0.06 0.02 -0.16 -0.08 -0.09 0.07 -0.01 0.21 0.23 -0.42 -0.02 0.05 0.04 0.28 -0.48 -0.21 -0.07 -0.06 0.02 0.25 0.06 0.02 -0.01 -0.09 -0.00 0.00 -0.01 -0.01 0.00 0.09 0.06 -0.04 0.07 -0.01 -0.02 -0.01 -0.00 -0.00 -0.09 0.02 0.02 -0.07 -0.01 0.00 -0.03 -0.02 -0.00 -0.03 0.02 -0.02 0.01 0.03 -0.00 -0.01 0.00 -0.00 0.13 -0.03 0.03 -0.10 -0.18 -0.03 0.16 -0.07 -0.01 -0.15 0.01 0.01 -0.15 -0.16 -0.15 0.05 0.21 0.01 -0.10 0.08 -0.02 -0.02 0.11 0.01 -0.15 0.02 0.01 -0.02 0.23 0.10 -0.07 0.09 -0.02 -0.06 -0.11 -0.04 -0.04 0.10 0.01 -0.17 -0.13 0.03 0.10 0.08 -0.04 0.03 0.12 0.01 -0.03 0.19 0.03 0.14 -0.09 -0.03 -0.28 0.03 0.10 -0.22 -0.22 0.08 0.22 0.20 -0.01 -0.01 0.06 0.12 0.06 0.07 0.16 0.31 -0.19 0.03 -0.10 0.04 0.03 0.05 0.15 -0.01 -0.12 0.04 -0.05 0.10 -0.00 -0.01 0.09 0.14 0.10 -0.06 -0.15 0.02 0.07 -0.06 0.02 -0.04 -0.08 0.02 0.14 -0.03 0.00 0.01 -0.18 -0.10 0.11 -0.07 0.02 0.01 0.11 -0.02 -0.14 0.06 0.01 -0.09 -0.12 0.02 0.10 0.10 -0.06 -0.06 0.02 0.07 -0.15 0.22 0.05 0.15 -0.08 -0.04 -0.16 0.04 0.11 -0.18 -0.22 0.10 0.28 0.29 -0.01 -0.02 0.01 0.21 0.02 0.07 0.21 0.38 -0.20 0.05 0.04 0.03 0.41 -0.01 0.00 -0.14 0.03 -0.02 -0.36 -0.00 -0.02 -0.03 -0.05 0.01 -0.23 -0.05 0.03 0.18 0.00 0.00 0.03 -0.14 -0.02 0.13 0.19 -0.12 0.03 0.01 -0.01 -0.13 0.35 -0.08 -0.01 -0.13 0.10 -0.26 0.02 -0.02 -0.03 0.02 0.02 -0.01 -0.02 -0.02 0.01 0.14 0.14 -0.17 -0.13 -0.24 -0.06 -0.03 0.02 0.01 0.15 0.03 0.04 -0.09 -0.01 0.04 -0.10 -0.13 -0.01 0.01 0.05 -0.13 0.01 -0.01 -0.05 -0.08 0.04 -0.01 0.14 0.04 -0.05 0.01 -0.06 0.01 -0.11 0.10 -0.00 -0.02 -0.01 0.07 -0.08 -0.03 -0.30 -0.05 -0.06 0.00 0.01 -0.03 0.07 0.15 -0.12 -0.30 -0.24 0.35 -0.02 0.11 -0.13 -0.37 0.40 0.12 0.04 -0.14 -0.01 -0.33 0.06 0.02 0.00 -0.06 -0.00 0.00 0.00 -0.02 0.01 0.10 0.07 -0.03 0.14 0.01 -0.01 -0.00 -0.00 -0.00 -0.10 0.01 0.00 -0.02 -0.01 -0.01 -0.02 -0.06 0.01 -0.02 0.03 -0.04 0.03 0.03 -0.02 -0.01 -0.01 -0.00 -0.00 0.00 -0.03 -0.00 0.00 -0.01 -0.01 -0.00 0.02 -0.00 0.01 0.00 0.00 -0.00 0.08 0.00 -0.01 -0.02 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.02 0.00 -0.02 -0.00 0.06 -0.02 0.02 0.00 0.01 -0.01 0.02 -0.01 0.03 0.05 -0.01 -0.02 -0.09 0.01 0.01 0.06 0.05 0.16 -0.09 -0.07 -0.17 0.01 0.02 0.01 -0.01 0.50 0.18 0.18 -0.46 -0.25 0.18 -0.14 -0.32 -0.00 0.06 0.18 -0.27 0.10 0.14 -0.02 -0.05 -0.14 0.04 0.01 -0.00 -0.00 0.01 -0.02 0.02 0.01 0.02 -0.01 0.00 -0.02 -0.00 -0.01 -0.01 -0.09 0.00 0.03 0.02 -0.01 -0.00 0.00 0.04 -0.00 -0.02 -0.03 -0.01 -0.01 0.04 0.01 -0.14 0.03 -0.03 -0.00 -0.02 0.00 -0.02 0.01 -0.03 -0.01 0.02 0.03 -0.06 -0.02 -0.03 -0.03 0.02 -0.34 0.31 -0.12 0.32 0.09 -0.05 0.02 0.01 0.46 0.06 0.09 -0.27 -0.06 0.08 0.12 0.31 0.03 -0.02 -0.22 0.30 -0.12 0.07 0.13 0.08 -0.06 0.06 0.05 0.01 0.08 -0.01 -0.02 -0.07 -0.04 0.02 -0.01 -0.02 0.03 0.05 -0.01 -0.01 0.08 0.02 -0.08 -0.13 0.02 0.00 0.01 -0.02 -0.06 -0.08 0.01 0.24 0.04 -0.11 0.01 0.85 -0.02 0.25 0.02 0.04 -0.10 -0.02 0.03 -0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.02 -0.02 0.07 -0.05 0.05 -0.01 0.06 0.01 -0.02 0.00 -0.00 0.04 0.01 0.01 -0.02 0.00 0.01 0.06 0.11 0.01 -0.03 -0.07 0.11 -0.05 0.02 0.05 0.05 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.09 -0.00 0.01 0.01 0.00 0.00 0.00 -0.01 0.00 0.01 0.03 -0.01 -0.00 0.00 0.00 -0.07 0.01 -0.01 0.00 0.00 0.01 0.00 0.03 -0.03 0.03 0.04 0.04 -0.00 -0.05 -0.01 -0.00 -0.05 0.12 -0.14 0.13 -0.27 -0.04 -0.05 0.01 -0.08 -0.13 0.30 0.11 0.27 -0.25 0.09 0.18 -0.04 0.01 -0.19 0.03 0.10 -0.25 0.30 0.34 0.36 -0.29 0.12 0.02 -0.01 0.01 -0.04 -0.05 -0.11 -0.01 0.03 0.04 0.00 -0.01 -0.03 -0.05 -0.05 0.88 -0.00 0.02 -0.00 0.01 0.01 0.06 -0.08 -0.04 0.01 0.19 0.07 0.01 0.04 -0.00 -0.27 0.15 0.07 0.05 -0.04 -0.00 -0.08 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.03 -0.02 0.01 -0.04 0.03 0.00 -0.00 0.00 0.01 0.02 -0.05 -0.02 -0.04 0.06 -0.02 -0.00 0.05 -0.00 0.01 -0.03 0.03 0.01 -0.05 -0.03 -0.03 0.06 -0.02 0.07 -0.01 -0.01 0.11 0.06 -0.01 0.05 -0.04 0.02 -0.13 0.21 0.01 0.35 -0.02 0.17 0.07 -0.17 0.05 -0.20 -0.06 -0.07 -0.19 0.38 0.32 0.11 -0.04 0.09 0.31 -0.26 -0.10 0.02 -0.08 -0.09 -0.26 -0.11 -0.26 0.03 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.12 -0.01 0.03 0.10 0.07 0.00 -0.01 0.00 0.00 -0.01 0.03 0.01 -0.05 -0.01 0.01 -0.02 0.04 0.00 -0.01 -0.01 0.02 -0.01 0.02 0.01 -0.01 -0.01 0.01 0.08 0.03 -0.01 -0.11 -0.06 0.03 -0.06 -0.02 -0.01 -0.06 0.10 -0.07 -0.13 -0.05 -0.03 -0.03 -0.11 0.04 0.18 0.07 -0.01 -0.24 0.16 0.24 0.06 -0.29 -0.00 -0.18 -0.07 -0.13 -0.22 -0.16 0.01 0.30 0.15 0.37 0.06 0.02 -0.02 -0.05 -0.00 -0.01 -0.01 -0.05 0.01 0.30 0.03 0.02 0.28 0.22 -0.01 -0.00 0.01 0.00 -0.07 0.06 0.02 -0.07 -0.03 0.01 -0.05 0.05 0.02 -0.00 -0.07 0.04 0.07 0.08 -0.03 -0.03 -0.01 0.01 0.01 -0.00 -0.01 -0.02 -0.03 0.01 -0.01 0.02 -0.00 0.00 0.02 -0.00 -0.02 -0.03 -0.05 0.01 -0.03 0.01 0.01 0.02 -0.01 0.03 0.07 0.04 0.01 -0.03 0.00 0.05 -0.04 -0.01 -0.04 -0.01 -0.01 0.03 0.04 0.04 -0.00 0.01 0.07 -0.01 0.01 0.02 0.01 -0.00 -0.05 -0.08 0.20 -0.15 -0.04 -0.30 0.00 -0.02 -0.01 -0.01 0.27 -0.31 -0.10 -0.26 0.33 -0.08 0.39 -0.07 -0.03 -0.20 0.06 0.09 -0.23 -0.24 0.09 0.23 0.24 -0.07 0.04 -0.03 -0.01 0.14 0.11 -0.02 -0.03 -0.06 0.01 -0.13 0.00 0.02 0.34 0.04 0.06 -0.09 0.13 -0.04 0.09 -0.11 0.04 -0.41 -0.22 -0.01 -0.17 -0.09 0.01 -0.35 0.21 -0.06 0.09 -0.19 0.03 0.15 -0.40 0.01 0.03 -0.00 0.02 -0.01 0.01 -0.00 0.00 0.00 -0.02 0.16 0.07 -0.04 0.15 -0.01 -0.00 -0.02 -0.01 0.00 -0.01 -0.03 -0.02 -0.17 0.11 -0.01 0.09 0.01 -0.01 -0.07 0.03 0.03 -0.08 -0.06 0.03 0.05 0.05 -0.01 0.01 -0.07 0.01 0.03 -0.11 0.00 -0.09 0.16 -0.03 -0.06 0.08 0.01 0.26 -0.20 -0.05 0.03 0.04 0.01 0.09 -0.04 -0.02 -0.06 0.14 0.11 0.00 -0.06 0.04 0.19 -0.00 0.02 -0.04 -0.15 -0.01 0.19 -0.24 0.10 -0.06 -0.03 -0.00 0.01 0.00 0.01 0.04 0.07 -0.00 -0.44 -0.17 0.06 -0.37 -0.15 0.01 -0.01 -0.00 0.00 0.11 -0.03 0.02 0.33 -0.15 -0.00 -0.06 -0.02 -0.03 0.17 0.04 -0.11 -0.03 -0.03 0.01 -0.11 -0.11 0.03 0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.02 0.00 -0.00 -0.00 0.00 0.04 0.01 0.02 -0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.02 -0.02 -0.00 0.01 0.01 0.00 -0.03 0.02 -0.01 0.02 -0.01 0.00 -0.01 -0.04 -0.02 -0.06 0.10 -0.03 -0.06 -0.06 0.02 0.01 -0.13 0.03 -0.06 0.19 -0.10 0.02 0.14 -0.04 -0.01 0.09 -0.01 0.46 -0.37 -0.01 0.51 -0.19 -0.07 0.12 -0.09 0.04 0.04 -0.18 0.07 0.13 0.32 -0.03 0.12 0.15 -0.02 0.03 0.03 -0.01 -0.01 0.04 0.00 0.03 -0.05 0.01 0.00 -0.03 -0.02 -0.14 0.09 0.02 -0.02 -0.03 -0.00 -0.01 0.03 0.02 -0.05 -0.06 -0.02 -0.01 -0.03 -0.02 -0.10 -0.01 -0.02 0.01 0.06 0.01 -0.05 0.13 -0.01 0.02 -0.07 0.00 -0.09 -0.03 0.01 0.20 0.12 -0.05 0.13 -0.09 0.05 0.15 -0.05 -0.01 -0.18 0.02 0.04 0.17 -0.16 0.01 0.27 -0.18 -0.01 0.20 -0.05 -0.09 0.48 0.04 -0.21 -0.37 -0.09 0.16 -0.26 -0.16 0.10 -0.01 0.01 0.02 0.01 0.02 -0.11 0.00 -0.01 -0.02 0.01 -0.01 0.18 0.04 0.01 0.22 -0.02 -0.01 0.11 0.02 -0.00 -0.17 0.32 -0.06 -0.25 -0.39 0.27 0.05 0.05 -0.05 -0.22 -0.47 0.06 -0.13 0.23 -0.14 0.29 0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 0.12 0.03 -0.01 0.04 0.02 -0.00 -0.01 0.01 0.00 -0.02 -0.01 0.00 -0.01 -0.01 0.00 0.02 0.00 -0.00 0.02 -0.01 -0.00 -0.02 0.01 0.01 -0.01 0.01 0.01 0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.02 -0.01 -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 0.02 0.00 -0.04 -0.04 -0.02 -0.04 -0.03 -0.01 -0.01 -0.01 -0.00 -0.02 0.04 0.01 -0.00 0.06 0.02 0.05 -0.17 0.05 -0.04 -0.13 0.02 -0.11 0.17 -0.03 0.18 -0.22 0.12 0.16 -0.24 0.02 0.07 0.12 -0.02 0.20 -0.33 -0.03 0.13 -0.13 -0.04 -0.23 0.24 -0.03 -0.27 0.27 -0.01 0.20 0.30 -0.07 0.13 0.30 -0.08 0.09 0.01 -0.01 0.07 0.05 -0.02 0.03 -0.02 0.01 -0.10 -0.09 -0.01 0.07 0.06 0.06 0.01 -0.08 0.02 -0.00 0.12 0.01 -0.31 -0.31 -0.12 -0.29 -0.17 -0.06 -0.01 -0.08 -0.05 -0.12 0.25 0.03 -0.04 0.39 0.10 -0.02 0.01 -0.00 -0.02 0.08 0.00 -0.03 -0.01 0.01 -0.30 -0.07 0.03 -0.34 -0.13 0.01 0.06 -0.06 -0.01 0.17 0.04 0.03 0.22 0.02 -0.02 -0.08 0.02 0.01 -0.08 0.02 0.03 0.05 -0.13 -0.03 0.01 -0.09 -0.01 0.03 0.04 0.00 -0.04 0.02 0.00 0.01 -0.06 0.01 0.05 0.05 0.02 -0.26 0.09 0.01 -0.03 0.01 -0.01 -0.00 -0.07 -0.01 0.18 0.18 0.07 0.15 0.13 0.04 -0.23 0.07 -0.05 0.04 -0.15 -0.02 0.03 -0.25 -0.05 -0.02 -0.04 0.02 -0.11 0.15 -0.00 -0.03 0.03 -0.01 -0.09 -0.06 0.02 0.20 -0.04 -0.02 0.09 -0.12 -0.01 0.44 0.01 0.05 0.39 0.06 -0.08 -0.15 0.08 -0.01 -0.17 0.12 0.02 0.07 -0.25 -0.05 -0.03 -0.18 -0.01 -0.06 -0.04 0.04 0.01 -0.02 -0.01 -0.01 0.04 -0.01 -0.01 -0.03 -0.01 0.24 -0.10 0.02 0.03 0.02 0.00 -0.00 0.03 0.00 -0.09 -0.12 -0.04 -0.04 -0.04 -0.02 0.25 -0.05 0.05 -0.02 0.10 0.01 -0.02 0.13 0.02 -0.02 -0.01 -0.00 -0.03 0.03 -0.01 0.01 0.01 0.02 -0.22 -0.04 -0.01 0.80 0.23 -0.06 0.01 -0.03 -0.02 0.12 -0.05 -0.02 -0.07 0.10 -0.04 0.00 -0.07 0.00 -0.03 0.06 -0.04 0.00 -0.01 -0.00 -0.00 -0.09 0.01 -0.08 -0.03 -0.02 0.00 -0.03 0.01 -0.01 0.03 -0.00 0.00 -0.02 -0.00 0.28 -0.13 -0.04 0.03 0.03 -0.01 -0.00 0.01 0.01 -0.04 -0.07 -0.03 -0.04 -0.05 -0.01 0.24 -0.03 0.06 0.01 0.02 0.01 -0.02 0.11 0.01 -0.01 -0.02 0.02 -0.05 0.06 -0.00 0.01 -0.01 -0.03 0.77 0.24 -0.08 -0.15 -0.02 0.04 0.01 -0.03 0.03 0.10 0.10 0.06 0.22 -0.07 -0.01 -0.03 0.11 -0.02 -0.08 -0.01 0.07 0.01 -0.13 -0.02 -0.07 0.00 0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 0.01 0.03 0.06 -0.03 0.06 0.01 0.00 -0.03 -0.00 0.00 0.02 0.15 0.09 -0.00 -0.25 -0.17 -0.03 -0.02 0.02 0.07 0.09 -0.31 0.00 -0.06 0.18 -0.01 0.00 -0.02 -0.09 -0.01 0.02 0.07 0.01 0.03 0.13 0.25 -0.18 0.13 -0.21 0.24 -0.00 -0.01 -0.03 -0.12 0.06 -0.22 -0.05 -0.04 0.27 -0.05 -0.12 -0.27 0.09 0.03 0.20 -0.16 -0.19 0.07 0.14 0.31 -0.09 -0.05 -0.00 -0.01 -0.01 0.00 -0.00 0.05 -0.00 -0.00 -0.00 -0.00 -0.01 -0.05 -0.03 0.01 -0.11 -0.01 0.00 0.05 0.00 -0.01 -0.03 -0.27 -0.18 0.00 0.44 0.31 0.05 0.08 -0.03 -0.10 -0.16 0.55 -0.00 0.10 -0.30 0.02 -0.00 -0.01 -0.04 -0.00 0.01 0.03 0.01 0.01 0.06 0.15 -0.07 0.05 -0.12 0.10 0.00 -0.00 -0.01 -0.05 0.03 -0.09 -0.02 -0.01 0.11 -0.02 -0.06 -0.11 0.04 0.01 0.08 -0.06 -0.08 0.03 0.06 0.14 -0.03 -0.02 0.04 0.01 -0.01 -0.07 -0.01 0.02 0.01 -0.05 0.01 0.06 0.08 0.06 0.03 -0.04 -0.02 -0.06 0.06 -0.03 0.02 -0.10 -0.05 -0.42 -0.34 -0.05 0.12 0.27 0.06 0.34 -0.06 0.08 -0.07 -0.27 -0.06 -0.12 0.56 0.02 0.02 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.10 -0.03 0.02 -0.08 -0.07 0.00 -0.00 -0.01 -0.00 0.01 -0.03 -0.01 -0.01 0.02 -0.00 -0.02 0.03 -0.00 0.02 -0.02 0.00 0.04 0.05 -0.01 -0.00 -0.02 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 -0.04 0.02 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.03 0.03 0.00 -0.01 -0.02 -0.01 0.02 -0.01 0.00 0.01 0.02 0.00 0.01 -0.04 0.00 0.00 -0.01 0.02 0.03 0.03 0.08 0.05 -0.00 -0.07 0.02 0.06 -0.05 -0.08 -0.06 0.02 -0.06 -0.07 -0.01 0.03 -0.19 -0.06 -0.13 0.28 -0.01 0.03 0.11 -0.06 -0.18 0.09 0.04 0.41 0.60 -0.13 -0.23 -0.38 0.09 0.01 -0.06 0.00 0.05 0.03 -0.01 -0.04 -0.05 -0.00 -0.01 0.02 -0.01 -0.52 0.23 0.03 -0.03 0.04 -0.01 0.02 0.03 0.01 0.00 0.05 0.02 -0.11 -0.11 -0.02 0.57 -0.15 0.12 0.03 -0.02 0.01 0.07 -0.14 0.02 -0.01 -0.01 -0.03 -0.00 0.00 -0.02 0.02 0.00 0.01 0.02 -0.07 0.03 -0.03 0.12 -0.00 -0.01 -0.01 0.04 -0.03 0.09 0.02 0.06 -0.09 0.01 0.20 -0.16 0.00 -0.26 0.20 -0.01 0.05 -0.01 -0.03 0.01 0.14 -0.01 0.00 0.03 0.00 -0.03 -0.02 0.01 0.03 0.03 0.00 0.01 -0.01 0.01 0.25 -0.11 -0.01 0.01 -0.02 0.01 -0.01 -0.02 -0.01 -0.03 -0.04 -0.01 0.08 0.09 0.02 -0.32 0.08 -0.06 -0.02 -0.01 -0.01 -0.05 0.11 -0.01 -0.01 -0.02 -0.06 0.00 0.00 -0.03 0.02 0.01 0.01 -0.01 -0.18 0.10 -0.05 0.15 -0.02 -0.02 -0.02 0.08 -0.05 0.13 0.04 0.08 -0.12 0.02 0.45 -0.31 -0.00 -0.43 0.34 -0.01 0.15 0.05 -0.08 -0.06 0.16 0.00 0.00 0.02 0.00 -0.01 0.00 -0.00 -0.01 -0.02 0.00 0.01 -0.00 -0.01 0.08 -0.03 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.01 0.04 0.03 0.00 -0.04 -0.07 -0.02 0.09 -0.03 0.01 0.00 0.07 0.01 0.01 -0.05 -0.00 0.00 0.03 -0.01 -0.01 0.02 -0.01 -0.10 0.09 0.00 0.10 -0.11 0.16 0.06 -0.20 -0.07 -0.03 -0.12 0.02 0.02 0.12 0.06 0.05 0.08 -0.05 0.34 -0.23 -0.01 0.52 -0.32 -0.02 0.29 0.22 -0.13 0.25 0.24 -0.08 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.02 0.01 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.03 0.04 0.01 -0.08 0.02 -0.01 -0.00 -0.03 -0.01 -0.01 0.03 -0.00 -0.01 -0.01 0.03 0.01 0.02 -0.04 0.11 -0.02 0.01 -0.11 0.08 -0.09 0.02 0.05 0.04 -0.11 -0.10 0.02 -0.02 0.13 0.02 0.03 -0.08 0.01 -0.47 0.28 0.01 -0.05 0.13 -0.04 0.09 0.16 -0.04 0.46 0.55 -0.15 0.03 0.08 -0.00 -0.08 0.02 -0.01 0.00 -0.07 0.01 0.04 0.02 -0.04 0.42 -0.15 0.01 -0.08 0.03 -0.00 0.03 -0.09 0.04 0.23 0.21 0.04 -0.25 -0.35 -0.08 0.29 -0.09 0.04 -0.06 0.55 0.07 0.00 -0.04 -0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.02 0.00 -0.14 -0.05 0.03 -0.07 -0.04 -0.00 -0.00 0.01 0.00 -0.01 -0.02 -0.01 -0.00 -0.04 0.02 -0.09 0.07 0.00 -0.12 0.09 -0.01 -0.04 -0.02 0.02 -0.01 0.02 -0.00 -0.01 -0.04 0.00 0.07 0.02 -0.01 0.01 0.02 -0.00 -0.15 -0.05 -0.01 -0.16 0.10 0.00 -0.00 0.03 -0.01 0.08 -0.12 0.00 0.37 0.41 0.10 0.25 0.20 0.07 -0.04 0.05 -0.01 -0.13 0.25 0.03 -0.10 0.62 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.06 0.03 -0.02 0.03 0.02 0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 0.02 -0.01 0.02 -0.02 -0.00 0.03 -0.03 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.02 -0.08 0.01 0.03 -0.04 -0.01 0.02 0.07 -0.01 0.08 0.11 0.00 -0.39 0.10 0.01 0.05 0.01 0.02 -0.01 -0.11 0.01 -0.27 -0.13 0.02 -0.42 -0.33 -0.08 -0.33 0.13 -0.07 -0.14 0.43 0.03 -0.12 0.14 -0.08 -0.01 -0.02 0.01 0.00 0.00 0.00 -0.01 0.01 0.00 0.07 0.07 -0.08 0.02 0.09 0.03 0.00 -0.00 -0.00 0.01 0.01 0.01 0.01 0.02 -0.01 0.04 -0.02 0.00 0.05 -0.03 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.02 -0.00 -0.01 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.07 -0.02 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.03 0.01 -0.00 0.03 0.02 0.00 0.03 -0.02 0.01 0.02 -0.02 -0.00 0.01 -0.02 0.01 0.04 -0.12 0.03 -0.00 0.02 -0.00 -0.06 0.04 0.01 -0.19 0.34 -0.51 -0.20 0.60 0.23 0.01 -0.01 0.00 -0.00 -0.05 -0.04 0.00 -0.06 0.04 0.21 0.02 0.02 0.17 -0.02 -0.14 0.05 0.02 -0.02 0.02 0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.03 0.01 -0.00 0.01 0.01 0.03 0.01 -0.00 -0.00 0.01 0.07 -0.00 0.02 0.06 -0.03 0.00 0.02 -0.03 0.00 0.04 0.01 -0.00 -0.01 0.00 -0.11 -0.33 -0.27 -0.10 -0.35 0.25 -0.26 -0.47 -0.11 -0.08 -0.21 0.49 0.03 -0.02 -0.04 0.05 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.03 -0.04 -0.03 0.02 -0.00 -0.00 0.01 0.00 -0.00 -0.04 -0.02 -0.03 -0.17 0.17 0.49 -0.34 0.39 -0.14 -0.01 0.01 -0.00 0.43 0.10 -0.05 0.13 0.05 0.43 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 -0.01 0.02 0.03 0.01 0.00 0.01 -0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.00 -0.00 -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 0.02 0.00 -0.00 0.01 -0.00 0.02 0.01 -0.02 0.00 -0.01 -0.06 -0.00 0.02 0.03 -0.02 -0.05 0.06 -0.09 -0.03 0.10 0.03 0.03 -0.02 -0.01 0.10 0.31 0.25 0.10 0.33 -0.24 -0.19 -0.31 -0.08 -0.07 -0.14 0.34 -0.15 0.22 0.32 -0.33 0.21 -0.15 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.05 0.02 -0.04 0.01 -0.00 0.01 0.00 -0.00 -0.06 -0.03 -0.04 0.13 -0.13 -0.41 0.27 -0.33 0.12 -0.03 0.01 -0.00 0.52 0.13 -0.06 0.14 0.08 0.52 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 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 0.02 -0.00 0.01 0.06 -0.00 -0.02 -0.03 0.01 0.03 -0.04 0.06 0.03 -0.07 -0.03 0.06 -0.07 -0.02 -0.07 -0.22 -0.20 -0.07 -0.25 0.19 0.13 0.18 0.05 0.05 0.06 -0.21 -0.18 0.28 0.46 -0.43 0.32 -0.24 0.21 -0.31 -0.00 -0.30 0.31 0.00 -0.34 -0.12 -0.04 0.04 -0.03 0.00 0.32 0.16 -0.01 0.40 0.09 0.05 -0.04 -0.00 0.00 0.19 0.02 -0.09 0.12 -0.02 0.02 -0.12 0.30 -0.08 -0.10 0.05 0.01 -0.11 0.10 -0.13 0.03 0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 -0.03 -0.02 0.02 -0.06 -0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 -0.01 0.01 -0.01 0.00 -0.01 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.16 0.46 -0.01 0.25 -0.25 -0.01 -0.39 -0.32 -0.03 -0.01 0.02 0.01 -0.20 -0.14 0.04 0.36 0.09 0.05 -0.01 -0.02 -0.01 -0.16 -0.07 0.04 -0.06 -0.00 -0.02 -0.02 0.26 -0.03 -0.08 0.07 0.01 -0.09 0.18 -0.07 0.04 -0.00 -0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.13 -0.02 -0.01 -0.06 0.01 0.01 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 -0.02 0.01 -0.00 -0.02 0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.02 -0.06 -0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.03 -0.10 0.15 -0.12 -0.22 0.06 0.88 0.00 0.01 0.00 -0.02 0.01 -0.36 -0.03 -0.01 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.02 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.03 -0.00 -0.06 -0.08 0.11 -0.08 -0.08 0.02 0.32 -0.01 -0.01 -0.00 0.05 -0.03 0.88 0.25 0.06 -0.11 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -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 -0.04 -0.06 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.03 0.06 -0.54 0.40 0.59 0.38 0.11 -0.06 0.11 0.02 -0.05 -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 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.05 -0.04 -0.02 0.02 0.03 -0.06 0.01 0.02 0.04 0.01 0.02 -0.15 0.08 0.11 0.08 -0.47 0.25 -0.43 -0.09 0.25 0.63 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.04 -0.05 0.05 -0.02 -0.08 -0.00 -0.00 -0.00 -0.00 0.03 0.01 -0.01 -0.47 0.64 -0.42 0.06 -0.02 -0.19 0.01 0.02 0.00 0.01 -0.00 0.03 -0.34 -0.09 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 -0.01 -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 -0.02 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 -0.07 -0.02 0.05 -0.18 0.24 -0.16 0.04 -0.01 -0.15 -0.02 -0.05 0.00 -0.03 0.01 -0.27 0.80 0.20 -0.30 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.02 -0.00 -0.03 -0.06 -0.01 0.00 -0.00 -0.00 0.03 -0.13 -0.13 0.03 -0.04 0.17 -0.00 0.01 0.01 0.14 0.32 -0.53 0.17 0.32 0.61 -0.00 -0.01 0.04 -0.00 0.00 0.00 -0.02 0.01 -0.02 0.02 -0.05 -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 -0.02 -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 -0.01 -0.00 0.00 -0.02 0.05 -0.02 0.00 0.01 0.00 0.01 0.01 0.03 0.09 -0.44 -0.42 0.08 -0.14 0.60 -0.01 -0.00 -0.02 -0.02 -0.06 0.10 -0.03 -0.07 -0.14 0.02 0.04 -0.28 -0.10 -0.14 -0.08 0.12 -0.07 0.11 -0.03 0.07 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.04 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.03 -0.00 0.00 0.01 -0.00 -0.01 -0.02 -0.06 0.04 -0.22 -0.22 0.04 -0.06 0.25 0.02 -0.00 0.05 -0.04 -0.08 0.14 -0.03 -0.06 -0.10 -0.04 -0.08 0.59 0.21 0.30 0.18 -0.27 0.15 -0.24 0.05 -0.12 -0.30 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -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 -0.05 0.00 -0.02 -0.02 -0.00 0.00 -0.01 -0.03 -0.00 -0.07 0.02 0.05 -0.09 0.00 0.00 0.00 -0.04 -0.07 0.49 0.16 0.23 0.14 0.39 -0.21 0.34 -0.09 0.21 0.53 -0.00 0.00 0.00 -0.02 -0.08 -0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.32 0.94 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.05 0.06 -0.04 -0.00 -0.00 -0.00 0.01 0.04 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.03 -0.03 0.01 -0.01 0.05 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.03 -0.00 -0.03 -0.08 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.31 0.94 -0.05 -0.00 -0.00 -0.00 0.05 0.01 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.10 -0.00 0.00 0.00 0.01 -0.07 -0.07 -0.01 0.02 -0.10 -0.00 -0.00 -0.01 -0.18 -0.37 0.60 0.17 0.31 0.56 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.02 0.03 -0.01 0.03 0.07 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -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 -0.03 -0.10 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.10 0.49 0.47 0.09 -0.15 0.68 -0.00 -0.00 -0.00 -0.02 -0.05 0.09 0.02 0.05 0.08 -0.00 -0.01 0.04 0.01 0.02 0.01 0.00 -0.00 0.00 -0.00 0.01 0.01 6 6 6 6 1 6 6 1 1 1 1 1 6 6 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 6 6 6 6 1 6 6 1 1 1 1 1 6 6 6 1 1 6 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 134.10955 513.22697 2818.81192 3225.91303 1.0 -0.00241 8.4E-4 0.00241 0.99999 0.00381 -8.5E-4 -0.00381 0.99999 asymmetric 1 0.16876 0.03073 0.02685 3.51646 0.64025 0.55945 545117.7 40.23 103.49 155.21 173.27 274.25 307.14 344.92 406.73 427.89 695.22 793.02 841.21 878.64 959.59 1031.92 1082.85 1120.47 1158.73 1168.08 1230.16 1291.73 1331.25 1356.96 1391.87 1410.53 1439.16 1482.71 1509.38 1540.77 1567.72 1593.56 1617.67 1684.48 1687.95 1757.05 1771.02 1807.10 1809.38 1865.15 1882.00 1906.27 1937.46 1975.60 2038.41 2079.74 2083.18 2088.56 2102.38 2143.69 2389.02 2476.25 4327.98 4338.55 4405.41 4429.69 4470.27 4475.80 4490.50 4499.80 4503.48 4524.00 4543.05 4582.98 4634.40 4688.28 0.207624 0.218018 0.218962 0.170806 -388.614503 -388.604109 -388.603165 -388.651321 136.808 38.923 101.353 0.000 0.000 0.000 0.889 2.981 40.593 0.889 2.981 29.924 135.031 32.961 30.836 1 0.593 1.984 5.969 2 0.598 1.967 4.100 3 0.606 1.943 3.307 4 0.609 1.932 3.093 5 0.634 1.853 2.222 6 0.644 1.820 2.014 7 0.657 1.780 1.805 8 0.682 1.706 1.517 9 0.691 1.679 1.432 10 0.839 1.287 0.701 11 0.906 1.137 0.542 12 0.942 1.065 0.477 13 0.970 1.009 0.432 0.272027e-78 -78.565388 -180.903491 0.861204e+17 16.935106 38.994522 0.576247e-92 -92.239391 -212.389047 1 0.740600e+01 0.869584 2.002290 2 0.286664e+01 0.457373 1.053140 3 0.189942e+01 0.278620 0.641546 4 0.169672e+01 0.229611 0.528698 5 0.104976e+01 0.021091 0.048565 6 0.929090e+00 -0.031942 -0.073550 7 0.818012e+00 -0.087240 -0.200878 8 0.679149e+00 -0.168035 -0.386915 9 0.640407e+00 -0.193544 -0.445652 10 0.345171e+00 -0.461966 -1.063716 11 0.284403e+00 -0.546066 -1.257365 12 0.259408e+00 -0.586016 -1.349352 13 0.241821e+00 -0.616507 -1.419559 0.182433e+04 3.261103 7.508966 1 0.792286e+01 0.898882 2.069752 2 0.340992e+01 0.532744 1.226688 3 0.246412e+01 0.391662 0.901836 4 0.226886e+01 0.355808 0.819278 5 0.166276e+01 0.220829 0.508477 6 0.155509e+01 0.191755 0.441531 7 0.145872e+01 0.163972 0.377559 8 0.134335e+01 0.128190 0.295168 9 0.131248e+01 0.118092 0.271917 10 0.110757e+01 0.044372 0.102170 11 0.107523e+01 0.031500 0.072531 12 0.106329e+01 0.026651 0.061365 13 0.105541e+01 0.023420 0.053927 0.100000e+01 0.000000 0.000000 0.610441e+08 7.785643 17.927107 0.773321e+06 5.888360 13.558449 edo ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.8218 -1.0670 0.2160 1.3640 -56.6304 -61.6684 -62.5665 0.0483 0.4818 0.3985 3.6581 -1.3800 -2.2781 0.0483 0.4818 0.3985 6.9433 -4.3735 1.6050 1.6232 0.7139 -0.6070 -6.6857 -2.2586 0.2063 0.2193 -2255.7138 -443.8465 -120.9456 1.9185 6.8296 4.3487 1.0368 0.1409 0.6453 -443.6420 -391.4520 -98.8418 -1.7273 1.0820 -1.5571 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|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) 0 1-A -388.8221272 0.657418 0. 0.180066 9.286E-9 1.332E-7 0.2076244 0.2180181 -388.6041091 -388.6031649 -388.6513209 C01 [X(C10H14)] -0.3233137 -0.4197735 0.0849631 -0.3351611 -0.5173458 0.0474853 -0.1704139 -0.325049 0.0137707 -0.1326204 -0.0719604 -0.046579 0.1741622 0.1529197 -0.0495329 -0.0552295 0.2058125 -0.0185849 -0.076402 0.118544 -0.1798175 0.5355663 0.5421039 -0.0697441 -0.0186195 -0.0379147 0.0106942 0.1462823 0.0454548 -0.1118376 0.008034 -0.0749529 -0.0025726 0.0006977 -0.0552863 -0.0076333 -0.0621993 -0.1099464 0.1737351 -0.0252073 -0.1129839 0.0000905 0.0262702 -0.0748199 -0.0051172 0.0625997 0.0095853 0.1021391 0.0030121 -0.0599362 0.0480889 0.3732717 0.191249 -0.067186 0.0899452 0.0311206 -0.1638016 0.0017669 -0.0116968 -0.0071048 -0.1518867 -0.044292 -0.0066006 0.0009319 -0.0450202 0.1677061 -0.0508911 0.0984493 -0.0305208 0.0948778 -0.0373248 0.0395621 -0.0650153 0.0739476 0.0339232 -0.0395424 0.0785687 0.038724 -0.0597056 0.0684516 -0.0074207 0.0924949 -0.0609069 -0.1349037 -0.0092797 -0.0531309 -0.0076407 -0.0834876 -0.1007571 0.0159456 -0.0336928 0.0121711 0.1235207 -0.0079569 -0.0326926 -0.0100578 0.1228452 0.0668925 0.0240115 -0.1084684 -0.028752 -0.1536797 -0.1948116 -0.064478 0.0287396 0.01722 0.0591426 0.0041017 0.0538332 0.0184133 0.049503 -0.110081 0.3657283 -0.0308539 -0.1177578 -0.0056575 0.0125106 0.0474217 -0.0315358 0.0175801 -0.1133099 -0.1948299 0.0008618 -0.4249875 -0.0306381 0.0112544 0.1098022 0.045746 0.15108 0.1937807 0.0468971 -0.0036476 0.2012231 0.0962024 0.0064582 0.060857 -0.0502594 0.077914 0.1348804 0.0073056 -0.0026568 0.0678201 -0.0286405 -0.0041307 0.0217298 0.0048352 0.0277267 0.1125999 0.0048177 -0.0038594 0.0535176 -0.0000433 0.0153421 -0.0552325 0.0197759 0.0095163 0.1195928 -0.019162 0.0507557 -0.1115442 0.0352197 -0.0053405 -0.06154 0.016087 0.1027406 -0.1839859 -0.0869325 0.0375442 -0.0144807 -0.0161437 0.0426057 0.0300322 0.0819822 -0.0333469 -0.1320843 -0.0506724 -0.0101661 -0.0052672 -0.0154941 -0.0411699 -0.0370593 -0.0810935 -0.0532897 0.0221326 -0.0033768 0.0242098 0.0312579 0.0380619 0.0114608 0.003712 0.037113 -0.0935634 -0.0306337 -0.0944988 -0.0070009 0.0143035 -0.0159959 -0.0254553 -0.0762126 -0.0247406 0.0272205 -0.0956276 0.0750328 -0.0514938 0.155383 0.0174974 0.0308061 -0.0884417 0.0647018 0.0022087 0.0230447 0.0048664 0.0103525 0.0546924 0.0095271 -0.0498847 0.0772422 -0.0752626 -0.0956951 204.4283052|22.3960498|117.8655167|-2.0186858|-0.1466441|74.8065808 0.000000107 -0.000000000 0.000000010 -0.000000024 0.000000020 -0.000000098 0.000000019 0.000000049 0.000000182 -0.000000000 0.000000022 0.000000066 -0.000000006 0.000000005 -0.000000238 -0.000000034 -0.000000049 0.000000287 0.000000014 -0.000000099 0.000000230 -0.000000025 -0.000000074 -0.000000028 0.000000054 0.000000148 0.000000022 0.000000021 -0.000000017 0.000000420 -0.000000056 -0.000000202 0.000000213 0.000000003 -0.000000024 0.000000286 -0.000000236 -0.000000032 -0.000000078 0.000000146 -0.000000058 -0.000000259 0.000000018 0.000000108 0.000000047 0.000000042 0.000000121 -0.000000189 -0.000000038 -0.000000144 -0.000000173 0.000000006 0.000000035 -0.000000111 -0.000000099 -0.000000103 -0.000000333 0.000000048 0.000000124 -0.000000307 0.000000066 0.000000180 0.000000049 0.000000013 0.000000001 0.000000126 0.000000035 0.000000114 -0.000000055 -0.000000069 -0.000000124 -0.000000068 120.107 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;18;5;8;9;10;11;12;16;17;19;20;21;22;23;24/rA:24nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:.4658,-.2508,-.0669;1.2807,-1.3118,-.0683;.9277,1.0351,-.1445;2.7728,-1.034,-.1837;.9227,-2.3486,-.0753;2.1843,1.4485,-.0068;3.1865,.3476,.3512;3.3512,-1.8164,.3314;3.0442,-1.112,-1.2554;2.5194,2.4892,-.0575;3.2689,.3104,1.4552;4.1904,.6035,-.0213;-1.4481,-.5505,.0581;-3.3341,-.8496,.1514;-1.9869,.8426,-.3126;-1.2901,-1.3369,-.6828;-1.2993,-.7927,1.1132;-3.4395,.6554,.1409;-3.6114,-1.4117,1.0498;-3.6227,-1.3625,-.7733;-1.8992,.9906,-1.3996;-1.4196,1.6527,.1744;-4.2065,1.0771,-.5255;-3.6042,1.0613,1.15; Gaussian 16 GINC-N7004 ZW519 C-TS-cyclohexatriene-fo_tight_redo ES64L-G16RevC.02 66 C1[X(C10H14)] 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 0 120.107 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;18;5;8;9;10;11;12;16;17;19;20;21;22;23;24/rA:24nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:.4658,-.2508,-.0669;1.2807,-1.3118,-.0683;.9277,1.0351,-.1445;2.7728,-1.034,-.1837;.9227,-2.3486,-.0753;2.1843,1.4485,-.0068;3.1865,.3476,.3512;3.3512,-1.8164,.3314;3.0442,-1.112,-1.2554;2.5194,2.4892,-.0575;3.2689,.3104,1.4552;4.1904,.6035,-.0213;-1.4481,-.5505,.0581;-3.3341,-.8496,.1514;-1.9869,.8426,-.3126;-1.2901,-1.3369,-.6828;-1.2993,-.7927,1.1132;-3.4395,.6554,.1409;-3.6114,-1.4117,1.0498;-3.6227,-1.3625,-.7733;-1.8992,.9906,-1.3996;-1.4196,1.6527,.1744;-4.2065,1.0771,-.5255;-3.6042,1.0613,1.15; C-TS-cyclohexatriene-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 12 12 12 12 1 12 12 1 1 1 1 1 12 12 12 1 1 12 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 1 0 0 1 1 1 1 1 0 0 0 1 1 0 1 1 1 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 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/9672021.1.houk_pod_xgold.q/Gau-25479.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 1 1 1 2 2 3 4 4 4 6 6 7 7 13 13 13 14 14 14 15 15 15 18 18 2 3 13 4 5 6 7 8 9 7 10 11 12 15 16 17 18 19 20 18 21 22 23 24 1.3378 1.3685 1.9412 1.5222 1.0969 1.3299 1.5382 1.1009 1.1083 1.5311 1.0945 1.1077 1.1009 1.539 1.092 1.0927 1.5087 1.0954 1.0961 1.5332 1.1006 1.1023 1.1002 1.1 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 3 1 1 4 1 2 2 2 7 7 8 3 3 7 4 4 4 6 6 11 1 1 1 15 15 16 18 18 19 13 13 13 18 18 21 14 14 14 15 15 23 1 1 1 2 2 2 3 4 4 4 4 4 4 6 6 6 7 7 7 7 7 7 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 18 18 18 18 18 18 3 13 13 4 5 5 6 7 8 9 8 9 9 7 10 10 6 11 12 11 12 12 15 16 17 16 17 17 19 20 20 18 21 22 21 22 22 15 23 24 23 24 24 122.6524 118.5628 118.7843 116.896 123.4259 119.4725 127.2362 113.654 110.4748 107.4898 109.5338 109.4923 105.8833 114.7807 125.4512 119.6093 112.8594 109.6542 109.6541 107.8103 110.527 106.0943 100.9455 85.6936 87.8328 122.6251 118.7458 118.4111 119.9919 116.2639 112.6513 98.6222 109.377 112.2505 112.5845 116.5203 107.2514 93.3049 115.8005 111.8476 115.7583 111.6028 108.0517 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 3 3 13 13 2 13 2 2 2 3 3 3 1 1 1 5 5 5 1 1 2 2 2 8 8 8 9 9 9 3 3 3 10 10 10 1 1 1 16 16 16 17 17 17 19 19 19 20 20 20 13 13 13 21 21 21 22 22 22 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 2 2 2 2 3 3 13 13 13 13 13 13 4 4 4 4 4 4 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 4 5 4 5 6 6 15 16 17 15 16 17 7 8 9 7 8 9 7 10 6 11 12 6 11 12 6 11 12 4 11 12 4 11 12 18 21 22 18 21 22 18 21 22 15 23 24 15 23 24 14 23 24 14 23 24 14 23 24 -0.9494 -175.7004 179.3237 4.5727 -12.1426 167.5837 -166.9737 -44.5537 74.1535 13.2886 135.7086 -105.5842 26.603 150.1893 -94.7267 -158.4284 -34.8421 80.2419 -3.5012 -178.8762 -39.795 80.4063 -163.4812 -163.8922 -43.6909 72.4216 80.4097 -159.389 -43.2765 28.9455 -92.3078 152.1483 -155.3875 83.3592 -32.1847 -166.4005 75.8835 -43.0343 101.709 -16.007 -134.9248 -72.8373 169.4468 50.529 126.6625 -112.5795 11.7981 -92.0172 28.7408 153.1184 -18.1855 -138.9778 96.8884 97.0612 -23.7311 -147.865 -138.4301 100.7777 -23.3562 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. -0.39654 0.00056 0.00091 0.00259 0.00505 0.01067 0.01101 0.01406 0.01951 0.02032 0.02197 0.03261 0.03287 0.03874 0.03932 0.04240 0.04257 0.04528 0.04788 0.04954 0.05484 0.05818 0.05990 0.06103 0.06212 0.07234 0.07456 0.07842 0.09409 0.10025 0.10499 0.10650 0.10882 0.11104 0.11343 0.11832 0.13579 0.16598 0.18322 0.19494 0.20134 0.22953 0.23914 0.25911 0.26874 0.27739 0.28669 0.32012 0.32424 0.32606 0.33642 0.34019 0.34096 0.34191 0.34308 0.34488 0.35301 0.35406 0.35547 0.35740 0.35844 0.36150 0.40297 0.46525 0.57486 0.59402 R3 A38 A32 R2 D40 1 0.49114 -0.42819 -0.38114 -0.21445 0.17660 A39 R20 A34 D44 D39 Angle between quadratic step and forces= 83.50 degrees. 1 2 0.00000376 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 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 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 2.52817 2.58615 3.66842 2.87651 2.07277 2.51323 2.90675 2.08046 2.09440 2.89340 2.06831 2.09331 2.08042 2.90820 2.06352 2.06500 2.85109 2.07008 2.07128 2.89742 2.07979 2.08312 2.07901 2.07874 2.14069 2.06931 2.07318 2.04022 2.15419 2.08519 2.22069 1.98364 1.92815 1.87605 1.91172 1.91100 1.84801 2.00330 2.18954 2.08758 1.96977 1.91383 1.91382 1.88165 1.92906 1.85169 1.76183 1.49563 1.53297 2.14021 2.07250 2.06666 2.09425 2.02919 1.96614 1.72128 1.90899 1.95914 1.96497 2.03366 1.87189 1.62848 2.02110 1.95211 2.02036 1.94784 1.88586 -0.01657 -3.06655 3.12979 0.07981 -0.21193 2.92489 -2.91424 -0.77761 1.29422 0.23193 2.36856 -1.84279 0.46431 2.62130 -1.65329 -2.76510 -0.60811 1.40049 -0.06111 -3.12198 -0.69455 1.40335 -2.85329 -2.86046 -0.76255 1.26399 1.40341 -2.78186 -0.75532 0.50519 -1.61108 2.65549 -2.71202 1.45489 -0.56173 -2.90424 1.32442 -0.75109 1.77516 -0.27937 -2.35488 -1.27125 2.95740 0.88190 2.21068 -1.96488 0.20592 -1.60600 0.50162 2.67242 -0.31740 -2.42562 1.69102 1.69404 -0.41419 -2.58073 -2.41606 1.75890 -0.40764 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.52817 2.58615 3.66842 2.87651 2.07277 2.51323 2.90675 2.08046 2.09440 2.89340 2.06831 2.09331 2.08042 2.90820 2.06352 2.06500 2.85109 2.07008 2.07128 2.89742 2.07979 2.08312 2.07901 2.07874 2.14069 2.06931 2.07318 2.04022 2.15419 2.08519 2.22069 1.98364 1.92815 1.87605 1.91173 1.91100 1.84801 2.00330 2.18954 2.08758 1.96977 1.91383 1.91382 1.88165 1.92906 1.85169 1.76183 1.49563 1.53297 2.14021 2.07251 2.06666 2.09425 2.02919 1.96614 1.72128 1.90899 1.95914 1.96497 2.03366 1.87189 1.62848 2.02110 1.95211 2.02036 1.94784 1.88586 -0.01657 -3.06655 3.12979 0.07981 -0.21193 2.92489 -2.91424 -0.77761 1.29422 0.23193 2.36856 -1.84279 0.46431 2.62130 -1.65329 -2.76510 -0.60811 1.40049 -0.06111 -3.12198 -0.69455 1.40336 -2.85328 -2.86046 -0.76255 1.26400 1.40341 -2.78186 -0.75532 0.50519 -1.61108 2.65549 -2.71202 1.45489 -0.56173 -2.90424 1.32441 -0.75110 1.77515 -0.27938 -2.35489 -1.27125 2.95740 0.88189 2.21067 -1.96489 0.20591 -1.60601 0.50162 2.67242 -0.31739 -2.42562 1.69103 1.69404 -0.41418 -2.58073 -2.41606 1.75891 -0.40764 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000017 0.000004 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -5.782440e-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 1 1 1 2 2 3 4 4 4 6 6 7 7 13 13 13 14 14 14 15 15 15 18 18 2 3 13 4 5 6 7 8 9 7 10 11 12 15 16 17 18 19 20 18 21 22 23 24 1.3378 1.3685 1.9412 1.5222 1.0969 1.3299 1.5382 1.1009 1.1083 1.5311 1.0945 1.1077 1.1009 1.539 1.092 1.0927 1.5087 1.0954 1.0961 1.5332 1.1006 1.1023 1.1002 1.1 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 3 1 1 4 1 2 2 2 7 7 8 3 3 7 4 4 4 6 6 11 1 1 1 15 15 16 18 18 19 13 13 13 18 18 21 14 14 14 15 15 23 1 1 1 2 2 2 3 4 4 4 4 4 4 6 6 6 7 7 7 7 7 7 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 18 18 18 18 18 18 3 13 13 4 5 5 6 7 8 9 8 9 9 7 10 10 6 11 12 11 12 12 15 16 17 16 17 17 19 20 20 18 21 22 21 22 22 15 23 24 23 24 24 122.6524 118.5628 118.7843 116.896 123.4259 119.4725 127.2362 113.654 110.4748 107.4898 109.5338 109.4923 105.8833 114.7807 125.4512 119.6093 112.8594 109.6542 109.6541 107.8103 110.527 106.0943 100.9455 85.6936 87.8328 122.6251 118.7458 118.4111 119.9919 116.2639 112.6513 98.6222 109.377 112.2505 112.5845 116.5203 107.2514 93.3049 115.8005 111.8476 115.7583 111.6028 108.0517 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 3 13 13 2 13 2 2 2 3 3 3 1 1 1 5 5 5 1 1 2 2 2 8 8 8 9 9 9 3 3 3 10 10 10 1 1 1 16 16 16 17 17 17 19 19 19 20 20 20 13 13 13 21 21 21 22 22 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 2 2 2 2 3 3 13 13 13 13 13 13 4 4 4 4 4 4 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 18 18 18 18 18 4 5 4 5 6 6 15 16 17 15 16 17 7 8 9 7 8 9 7 10 6 11 12 6 11 12 6 11 12 4 11 12 4 11 12 18 21 22 18 21 22 18 21 22 15 23 24 15 23 24 14 23 24 14 23 24 14 23 -0.9494 -175.7004 179.3237 4.5727 -12.1426 167.5837 -166.9737 -44.5537 74.1535 13.2886 135.7086 -105.5842 26.603 150.1893 -94.7267 -158.4284 -34.8421 80.2419 -3.5012 -178.8762 -39.795 80.4063 -163.4812 -163.8922 -43.6909 72.4216 80.4097 -159.389 -43.2765 28.9455 -92.3078 152.1483 -155.3875 83.3592 -32.1847 -166.4005 75.8835 -43.0343 101.709 -16.007 -134.9248 -72.8373 169.4468 50.529 126.6625 -112.5795 11.7981 -92.0172 28.7408 153.1184 -18.1855 -138.9778 96.8884 97.0612 -23.7311 -147.865 -138.4301 100.7777 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 220 A 210 A 210 348 220 37 37 488.9759422194 24 24 24 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 -0.0144756388 0.000000 1.337848 0.000000 1.368533 2.374531 0.000000 2.439129 1.522183 2.772509 0.000000 2.147007 1.096862 3.384401 2.272241 0.000000 2.417499 2.905099 1.329946 2.557375 4.001771 0.000000 2.816906 2.561611 2.412491 1.538185 3.546320 1.531122 0.000000 3.306871 2.168291 3.772344 1.100933 2.519230 3.483587 2.170372 0.000000 2.966943 2.135280 3.213097 1.108307 2.724481 2.975733 2.175331 1.763028 0.000000 3.424136 3.997783 2.157604 3.534513 5.094508 1.094505 2.279971 4.402403 3.831395 0.000000 3.238643 2.984186 2.926608 2.176986 3.862267 2.146847 1.107732 2.406817 3.069396 2.756305 0.000000 3.821550 3.483829 3.293335 2.171898 4.404058 2.176802 1.100910 2.585438 2.404122 2.519772 1.764998 0.000000 1.941244 2.835792 2.863519 4.255380 2.978496 4.146603 4.729879 4.970970 4.713989 4.999386 4.994260 5.755882 0.000000 3.852976 4.643055 4.669354 6.118877 4.518676 5.979860 6.632581 6.757260 6.536905 6.741973 6.829678 7.665427 1.911851 0.000000 2.696537 3.921463 2.925781 5.117856 4.324957 4.225998 5.239168 5.998320 5.479172 4.804421 5.570546 6.188691 1.538954 2.212202 0.000000 2.154638 2.643366 3.291723 4.104702 2.507797 4.504149 4.893576 4.775012 4.377826 5.435336 5.298045 5.851404 1.091965 2.260778 2.317930 0.000000 2.191368 2.884751 3.143673 4.280495 2.961512 4.291048 4.690811 4.825639 4.957728 5.169541 4.711924 5.776979 1.092749 2.251360 2.275964 1.876691 0.000000 4.014420 5.117968 4.392977 6.446083 5.300865 5.681332 6.636431 7.229087 6.863837 6.237788 6.844583 7.631738 2.329532 1.508731 1.533248 3.044281 2.760942 0.000000 4.383908 5.019248 5.293139 6.513299 4.764642 6.548855 7.056568 7.011327 7.049960 7.350506 7.104127 8.128752 2.530851 1.095439 3.094710 2.897563 2.394373 2.264635 0.000000 4.295410 4.954040 5.181708 6.431016 4.703181 6.496915 7.110101 7.075433 6.689018 7.285089 7.433573 8.091612 2.465638 1.096073 2.783955 2.334431 3.046562 2.222875 1.823782 0.000000 2.985036 4.145507 3.093380 5.234972 4.568042 4.338729 5.416891 6.200192 5.373947 4.854987 5.943205 6.255567 2.168770 2.801975 1.100579 2.510438 3.139231 2.204143 3.834407 2.983232 0.000000 2.690022 4.017312 2.448125 4.992286 4.643154 3.614257 4.790686 5.900855 5.441905 4.033534 5.042254 5.710615 2.206418 3.150706 1.102340 3.112778 2.622189 2.252857 3.867893 3.852601 1.773702 0.000000 4.878959 6.002112 5.148568 7.299631 6.184390 6.422589 7.480458 8.137941 7.609112 6.888462 7.771282 8.425331 3.255561 2.220696 2.242166 3.789136 3.825400 1.100162 3.004970 2.520637 2.468884 2.930527 0.000000 4.446031 5.565767 4.713264 6.843623 5.798374 5.915628 6.874647 7.571595 7.396695 6.402738 6.920710 7.895361 2.904969 2.172912 2.191532 3.803343 2.958246 1.100022 2.475017 3.094158 3.068017 2.464499 1.780570 0.000000 C10H14 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 0 120.107 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;18;5;8;9;10;11;12;16;17;19;20;21;22;23;24/rA:24nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:.4658,-.2508,-.0668;1.2807,-1.3118,-.0682;.9277,1.0351,-.1444;2.7728,-1.0339,-.1837;.9227,-2.3486,-.0753;2.1843,1.4485,-.0067;3.1865,.3477,.3512;3.3512,-1.8164,.3314;3.0442,-1.112,-1.2554;2.5194,2.4892,-.0574;3.2689,.3104,1.4552;4.1904,.6036,-.0213;-1.4481,-.5505,.0582;-3.3341,-.8496,.1515;-1.9868,.8426,-.3125;-1.2901,-1.3369,-.6827;-1.2993,-.7927,1.1133;-3.4395,.6554,.141;-3.6114,-1.4117,1.0498;-3.6227,-1.3625,-.7732;-1.8992,.9906,-1.3996;-1.4196,1.6527,.1745;-4.2065,1.0771,-.5255;-3.6042,1.0613,1.15; 3.5164582 0.6402489 0.5594513 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= 220 220 220 220 220 MxSgAt= 24 MxSgA2= 24. 1 open 1 1 1 -388.822127217005 -388.822127217 1 0.6574 3.841673590890e+02 -1.876171021775e+03 6.142200688885e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 3221225472 LenX= 3221122938 LenY= 3221074097 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. 0.6574 Using compressed storage, NAtomX= 24. Will process 25 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=111111111111111111111111 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. 7209 words used for storage of precomputed grid. Keep R1 and R2 ints in memory in canonical form, NReq=999035931. 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= 22155 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 75 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 72 vectors produced by pass 0 Test12= 1.71D-14 1.33D-09 XBig12= 1.97D+02 6.82D+00. AX will form 72 AO Fock derivatives at one time. 72 vectors produced by pass 1 Test12= 1.71D-14 1.33D-09 XBig12= 1.46D+01 6.48D-01. 72 vectors produced by pass 2 Test12= 1.71D-14 1.33D-09 XBig12= 5.26D-01 1.63D-01. 72 vectors produced by pass 3 Test12= 1.71D-14 1.33D-09 XBig12= 9.91D-03 1.67D-02. 72 vectors produced by pass 4 Test12= 1.71D-14 1.33D-09 XBig12= 1.29D-04 1.13D-03. 72 vectors produced by pass 5 Test12= 1.71D-14 1.33D-09 XBig12= 1.28D-06 1.33D-04. 72 vectors produced by pass 6 Test12= 1.71D-14 1.33D-09 XBig12= 1.21D-08 9.62D-06. 35 vectors produced by pass 7 Test12= 1.71D-14 1.33D-09 XBig12= 8.53D-11 8.29D-07. 7 vectors produced by pass 8 Test12= 1.71D-14 1.33D-09 XBig12= 5.47D-13 7.04D-08. 3 vectors produced by pass 9 Test12= 1.71D-14 1.33D-09 XBig12= 4.05D-15 9.61D-09. InvSVY: IOpt=1 It= 1 EMax= 3.55D-15 Solved reduced A of dimension 549 with 75 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 132.37 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 204.428 22.396 117.866 -2.019 -0.147 74.807 175.799 23.205 138.041 -1.738 -0.746 89.946 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 C C C C H C C H H H H H C C C H H C H H H H H H 13 13 13 13 1 13 13 1 1 1 1 1 13 13 13 1 1 13 1 1 1 1 1 1 0.27104 -0.07172 -0.40371 0.02768 0.00434 0.02068 -0.04743 -0.00084 -0.00329 -0.00855 0.00377 0.00010 0.03402 0.23682 0.07884 0.02000 0.01469 -0.02505 -0.00511 -0.00559 -0.00070 -0.00000 0.00293 0.00057 152.34825 -40.31525 -226.92235 15.55617 9.70426 11.62653 -26.65807 -1.88407 -7.34906 -19.11901 8.42135 0.23345 19.12506 133.11494 44.31284 44.70820 32.83339 -14.07986 -11.41767 -12.49044 -1.56454 -0.00582 6.54952 1.27261 54.36164 -14.38548 -80.97154 5.55083 3.46272 4.14864 -9.51226 -0.67228 -2.62233 -6.82214 3.00495 0.08330 6.82430 47.49872 15.81192 15.95300 11.71577 -5.02404 -4.07411 -4.45690 -0.55827 -0.00208 2.33703 0.45410 50.81791 -13.44772 -75.69315 5.18898 3.23699 3.87819 -8.89217 -0.62846 -2.45138 -6.37741 2.80906 0.07787 6.37943 44.40237 14.78117 14.91305 10.95204 -4.69654 -3.80853 -4.16636 -0.52187 -0.00194 2.18468 0.42450 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 0.342154 0.075391 -0.151749 0.020982 0.008591 -0.132508 -0.012094 -0.000434 -0.000292 -0.015910 0.000683 -0.004705 -0.138474 0.544890 -0.014202 0.007061 0.007702 -0.004012 -0.000704 -0.000365 -0.006467 -0.019509 -0.003450 -0.004257 -0.286010 0.064550 -0.027354 -0.009607 -0.008493 -0.049619 -0.018747 -0.000387 -0.001470 0.009041 0.003372 0.002147 0.057126 -0.273460 0.015149 -0.007320 -0.002910 0.006287 -0.015639 -0.019253 0.003973 0.013649 0.006016 0.006799 -0.056144 -0.139941 0.179102 -0.011374 -0.000098 0.182127 0.030841 0.000821 0.001762 0.006870 -0.004055 0.002558 0.081348 -0.271430 -0.000946 0.000259 -0.004793 -0.002275 0.016343 0.019619 0.002494 0.005860 -0.002566 -0.002542 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 0.110245 0.008743 0.546473 0.008400 -0.011132 -0.014950 0.048460 0.000550 0.001238 -0.005256 0.002144 -0.000798 -0.077697 -0.046058 -0.000135 -0.001051 -0.002010 -0.010679 0.005659 0.005810 -0.000402 0.001975 -0.003401 -0.002341 -0.005894 0.012062 -0.124784 -0.003292 0.000506 -0.053751 -0.018375 0.000085 0.000250 -0.003291 -0.002298 0.002332 0.020857 -0.010615 -0.012358 -0.000333 0.000964 0.002306 -0.012931 0.014586 -0.005420 0.003545 0.001003 0.000250 -0.001382 -0.021478 0.119041 0.000946 -0.000101 0.031383 0.016617 -0.000950 -0.001016 -0.001446 0.001360 0.001910 0.008296 0.001849 -0.028343 -0.003476 0.004847 0.000715 -0.030680 0.028471 -0.005818 -0.001017 -0.002521 0.004710 -0.168 0.9858 0.0015 0.0145 0.001 0.9999 0.9857 0.168 -0.0145 -0.3048 -0.0562 0.361 -40.901 -7.546 48.447 -14.594 -2.692 17.287 -13.643 -2.517 16.16 1 C 13 -0.0591 0.1052 0.9927 -0.4822 0.8677 -0.1207 0.8741 0.4858 5.0E-4 -0.1429 0.0627 0.0803 -19.181 8.411 10.77 -6.844 3.001 3.843 -6.398 2.806 3.592 2 C 13 0.7306 -0.6535 0.198 -0.1628 0.1149 0.98 0.6631 0.7482 0.0224 -0.6744 0.2138 0.4606 -90.493 28.688 61.805 -32.29 10.237 22.054 -30.185 9.569 20.616 3 C 13 0.2332 -0.6846 0.6906 -0.1101 0.6871 0.7182 0.9662 0.2435 -0.0849 -0.0134 -0.01 0.0234 -1.801 -1.337 3.139 -0.643 -0.477 1.12 -0.601 -0.446 1.047 4 C 13 0.4424 0.8968 -0.0096 -0.0272 0.0241 0.9993 0.8964 -0.4419 0.0351 -0.014 -1.0E-4 0.0141 -7.461 -0.061 7.522 -2.662 -0.022 2.684 -2.489 -0.02 2.509 5 H 1 0.9825 0.1067 0.1524 -0.0836 0.9851 -0.1505 -0.1662 0.1351 0.9768 -0.1425 -0.0531 0.1956 -19.118 -7.132 26.249 -6.822 -2.545 9.366 -6.377 -2.379 8.756 6 C 13 -0.6664 0.7067 -0.2378 0.6009 0.6978 0.3898 -0.4414 -0.1169 0.8897 -0.07 0.0323 0.0378 -9.398 4.329 5.069 -3.354 1.545 1.809 -3.135 1.444 1.691 7 C 13 -0.5457 0.7529 0.3679 0.8304 0.4269 0.358 -0.1125 -0.5009 0.8582 -0.0012 -1.0E-4 0.0014 -0.667 -0.061 0.728 -0.238 -0.022 0.26 -0.222 -0.02 0.243 8 H 1 -0.498 0.8362 0.2295 0.8655 0.4633 0.1902 -0.0527 -0.2933 0.9546 -0.0025 4.0E-4 0.0021 -1.326 0.227 1.099 -0.473 0.081 0.392 -0.442 0.076 0.367 9 H 1 0.9693 0.1999 0.1429 -0.1863 0.2184 0.9579 -0.1603 0.9552 -0.2489 -0.0175 0.0072 0.0103 -9.326 3.831 5.495 -3.328 1.367 1.961 -3.111 1.278 1.833 10 H 1 0.4099 -0.2345 0.8815 0.7762 -0.4179 -0.4721 0.479 0.8777 0.0108 -0.0055 9.0E-4 0.0046 -2.926 0.494 2.432 -1.044 0.176 0.868 -0.976 0.165 0.811 11 H 1 0.936 0.1717 -0.3071 -0.3192 0.7815 -0.536 0.148 0.5998 0.7863 -0.0056 0.0012 0.0045 -2.997 0.62 2.376 -1.069 0.221 0.848 -1.0 0.207 0.793 12 H 1 0.9403 0.3284 -0.0897 0.2501 -0.4876 0.8365 -0.2309 0.8089 0.5406 -0.1676 0.0827 0.0849 -22.49 11.104 11.386 -8.025 3.962 4.063 -7.502 3.704 3.798 13 C 13 0.0509 0.9663 -0.2522 0.0268 0.2511 0.9676 0.9983 -0.056 -0.0131 -0.2764 -0.2712 0.5476 -37.086 -36.398 73.485 -13.233 -12.988 26.221 -12.371 -12.141 24.512 14 C 13 0.5705 0.4429 0.6916 0.8084 -0.4512 -0.3779 0.1447 0.7748 -0.6155 -0.0293 -0.0083 0.0376 -3.93 -1.12 5.051 -1.402 -0.4 1.802 -1.311 -0.374 1.685 15 C 13 0.0694 0.9298 0.3614 -0.0127 -0.3614 0.9323 0.9975 -0.0693 -0.0133 -0.0087 0.0016 0.0071 -4.668 0.859 3.809 -1.666 0.307 1.359 -1.557 0.287 1.271 16 H 1 -0.1206 -0.6401 0.7588 0.1298 0.7477 0.6513 0.9842 -0.177 0.0071 -0.009 0.001 0.0081 -4.821 0.514 4.306 -1.72 0.184 1.537 -1.608 0.172 1.436 17 H 1 0.8233 0.5095 -0.2502 0.1902 0.1677 0.9673 -0.5348 0.844 -0.0412 -0.0113 -0.0017 0.013 -1.519 -0.228 1.747 -0.542 -0.081 0.623 -0.507 -0.076 0.583 18 C 13 0.0604 0.8471 0.528 0.9431 -0.2217 0.2477 -0.3269 -0.483 0.8123 -0.0344 -0.0054 0.0398 -18.332 -2.898 21.23 -6.541 -1.034 7.575 -6.115 -0.967 7.081 19 H 1 0.0548 0.8771 -0.4772 0.9328 -0.2156 -0.289 0.3563 0.4293 0.8299 -0.0344 -0.0062 0.0406 -18.345 -3.322 21.667 -6.546 -1.185 7.731 -6.119 -1.108 7.227 20 H 1 0.8432 0.2313 0.4853 -0.4923 0.695 0.5241 -0.216 -0.6808 0.6999 -0.0097 -1.0E-4 0.0098 -5.174 -0.069 5.243 -1.846 -0.025 1.871 -1.726 -0.023 1.749 21 H 1 0.9886 -0.0619 -0.1373 0.1429 0.0975 0.9849 0.0476 0.9933 -0.1053 -0.0201 0.0063 0.0139 -10.738 3.347 7.391 -3.832 1.194 2.637 -3.582 1.116 2.465 22 H 1 0.9525 0.275 -0.1306 0.0507 0.2796 0.9588 -0.3002 0.9199 -0.2524 -0.0046 -0.0032 0.0078 -2.438 -1.733 4.171 -0.87 -0.618 1.488 -0.813 -0.578 1.391 23 H 1 (Enter /u/local/apps/gaussian/G16_C02/g16_avx2/l716.exe) PT1891.900S Mon Jun 30 03:12:27 2025 -10.31910 -10.31509 -10.30206 -10.30036 -10.29716 -10.29648 -10.29608 -10.29607 -10.29564 -10.27942 -0.93483 -0.92191 -0.83074 -0.81461 -0.77116 -0.74442 -0.68203 -0.66934 -0.64160 -0.57884 -0.57013 -0.54755 -0.53756 -0.51271 -0.50550 -0.50113 -0.47651 -0.46716 -0.44730 -0.44440 -0.42391 -0.41737 -0.40848 -0.38611 -0.36797 -0.27781 -0.24917 0.00681 0.04954 0.13079 0.14990 0.15302 0.16233 0.18301 0.19159 0.19366 0.20027 0.21050 0.21947 0.22332 0.22791 0.23896 0.24420 0.25675 0.26937 0.28837 0.30171 0.31582 0.32592 0.36519 0.38843 0.43188 0.44622 0.46729 0.47351 0.49838 0.51068 0.51196 0.52691 0.55609 0.56693 0.56937 0.59056 0.60818 0.62238 0.63590 0.64267 0.65491 0.66799 0.67990 0.69247 0.69416 0.70519 0.72145 0.72656 0.72987 0.74027 0.75209 0.75412 0.75676 0.75896 0.76702 0.77406 0.77454 0.78220 0.78673 0.79000 0.80408 0.81023 0.81732 0.82250 0.83490 0.85158 0.85690 0.92035 0.92604 0.92794 0.95652 0.98599 1.01292 1.06025 1.09021 1.10684 1.14244 1.17062 1.21277 1.27276 1.31911 1.33211 1.34065 1.36881 1.39028 1.41735 1.43797 1.44803 1.47220 1.52139 1.58081 1.59856 1.61584 1.66397 1.69700 1.71215 1.74707 1.76212 1.77275 1.79000 1.81790 1.82240 1.83123 1.85122 1.85456 1.85766 1.86318 1.87783 1.88759 1.90163 1.90288 1.92617 1.92970 1.93443 1.95338 1.95671 1.97607 1.99136 1.99584 2.01506 2.02429 2.03462 2.05178 2.09019 2.10025 2.12841 2.13831 2.15335 2.18483 2.20654 2.22174 2.23943 2.26730 2.29954 2.32538 2.34649 2.37974 2.39536 2.40150 2.42560 2.44087 2.45828 2.46563 2.49281 2.51360 2.52998 2.53642 2.54587 2.61251 2.62449 2.66863 2.68697 2.75933 2.77093 2.79339 2.79853 2.88417 2.89041 2.91461 2.92827 2.93380 2.95782 2.97497 2.98151 3.03456 3.07427 3.09513 3.10433 3.12279 3.14176 3.18956 3.22607 3.43388 -10.32091 -10.30789 -10.29946 -10.29859 -10.29717 -10.29697 -10.29660 -10.29537 -10.29394 -10.28998 -0.93405 -0.91912 -0.82764 -0.82223 -0.76860 -0.73613 -0.68486 -0.67114 -0.63808 -0.57572 -0.56690 -0.55031 -0.53759 -0.51462 -0.50835 -0.49821 -0.47311 -0.46049 -0.45218 -0.44539 -0.42622 -0.41459 -0.40696 -0.38920 -0.34989 -0.29101 -0.27757 0.00782 0.04758 0.13173 0.14985 0.15416 0.16487 0.18349 0.19133 0.19365 0.20160 0.21341 0.21848 0.22766 0.22905 0.24090 0.24467 0.25607 0.27017 0.28904 0.30121 0.31660 0.32600 0.36259 0.38938 0.43095 0.44570 0.46771 0.47240 0.49764 0.50877 0.51281 0.52702 0.55867 0.56720 0.57987 0.58828 0.60703 0.62159 0.63588 0.63978 0.65827 0.66251 0.67978 0.69041 0.69658 0.70813 0.72264 0.72622 0.73084 0.74344 0.75102 0.75444 0.75735 0.75940 0.76902 0.77216 0.77325 0.78333 0.78766 0.79206 0.80491 0.80793 0.81836 0.82444 0.83172 0.84961 0.85717 0.91886 0.92543 0.92794 0.95728 0.98451 1.01510 1.06161 1.08885 1.10596 1.14150 1.17181 1.21216 1.27863 1.32463 1.33151 1.34252 1.36931 1.38869 1.41913 1.43854 1.44982 1.47224 1.51360 1.57693 1.60001 1.61736 1.66396 1.70096 1.71135 1.74752 1.76234 1.77130 1.79018 1.81854 1.82108 1.83062 1.85126 1.85534 1.85668 1.86278 1.87710 1.88664 1.89916 1.90619 1.92472 1.92949 1.93531 1.95106 1.95537 1.97595 1.99079 1.99634 2.01479 2.02083 2.03719 2.05186 2.09029 2.09936 2.13138 2.14660 2.15268 2.18846 2.20157 2.22071 2.23461 2.27233 2.29934 2.32421 2.34585 2.37967 2.39293 2.39970 2.42384 2.44275 2.46415 2.46519 2.49657 2.51107 2.53322 2.53718 2.54526 2.61494 2.62312 2.66994 2.68720 2.75720 2.77115 2.79067 2.80315 2.88456 2.89294 2.91825 2.92837 2.93226 2.95568 2.97614 2.98253 3.03998 3.07400 3.09564 3.10408 3.12397 3.14349 3.17793 3.22894 3.42859 1-A. -3.23312428e-01 -4.19775061e-01 8.49636128e-02 2.04428098e+02 2.23964500e+01 1.17865724e+02 -2.01868436e+00 -1.46653710e-01 7.48065800e+01 -1252.1960 -8.7213 -6.7105 -0.0001 0.0001 0.0004 1.7712 28.0168 71.9293 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -1252.1959 27.9596 71.9268 107.8769 120.4304 190.6103 213.4749 239.7329 282.6889 297.3958 483.2003 551.1741 584.6706 610.6851 666.9497 717.2185 752.6196 778.7671 805.3570 811.8568 855.0053 897.7974 925.2662 943.1315 967.4011 980.3641 1000.2666 1030.5344 1049.0702 1070.8887 1089.6216 1107.5805 1124.3377 1170.7705 1173.1845 1221.2138 1230.9221 1256.0001 1257.5839 1296.3434 1308.0567 1324.9248 1346.6023 1373.1131 1416.7649 1445.4909 1447.8805 1451.6188 1461.2246 1489.9358 1660.4500 1721.0814 3008.0961 3015.4454 3061.9140 3078.7910 3106.9896 3110.8344 3121.0520 3127.5153 3130.0782 3144.3339 3157.5790 3185.3276 3221.0663 3258.5164 6.6636 2.5817 2.6069 2.0449 3.7342 2.1018 4.3647 2.0415 2.5559 3.9123 3.2234 4.1482 3.2748 5.0137 1.8104 1.2040 1.1647 1.5297 1.1920 1.2900 2.8943 2.2053 1.1484 2.1602 1.9734 1.5326 2.2910 1.9664 2.2640 1.8045 1.8837 1.1854 1.2442 1.5768 1.2043 1.4909 1.2674 1.2303 1.2021 1.4095 1.4349 1.4934 1.5854 1.5568 1.2704 1.1083 1.0814 1.0946 1.1113 1.1688 8.0005 9.2695 1.0728 1.0686 1.0618 1.0617 1.0927 1.0967 1.0570 1.0627 1.0976 1.1080 1.0916 1.0927 1.1172 1.1231 6.1561 0.0012 0.0079 0.0140 0.0319 0.0450 0.1172 0.0691 0.1203 0.2039 0.4434 0.7425 0.6596 1.1017 0.4745 0.3649 0.3887 0.5466 0.4555 0.5009 1.2466 1.0473 0.5793 1.1321 1.0881 0.8678 1.3506 1.2304 1.4680 1.2193 1.3177 0.8568 0.9267 1.2734 0.9766 1.3100 1.1314 1.1435 1.1201 1.3956 1.4465 1.5446 1.6938 1.7294 1.5025 1.3644 1.3357 1.3589 1.3980 1.5287 12.9963 16.1775 5.7195 5.7250 5.8652 5.9292 6.2146 6.2528 6.0666 6.1246 6.3359 6.4545 6.4124 6.5324 6.8296 7.0262 32.7022 0.1067 0.9164 1.4471 1.2086 1.0032 3.8447 0.6455 3.5629 1.2426 2.0075 29.4145 2.6063 4.5498 14.6036 1.5401 7.2917 28.5951 0.5882 6.7996 3.6676 4.4961 3.2942 3.3653 41.0794 7.8580 0.6404 1.3400 10.1564 19.7498 25.7981 6.6856 1.7705 2.6456 5.7187 0.5658 4.0449 1.4713 0.9994 1.1554 3.1544 2.6569 28.7592 21.0358 0.7937 3.3284 3.2020 1.8866 2.7658 1.3771 13.2010 8.5893 33.7478 47.9480 13.7355 46.7913 27.3573 20.4921 17.7664 5.4406 0.4438 23.2648 17.7149 25.9343 11.5242 0.1536 -0.28 -0.11 0.02 0.02 0.04 -0.00 0.03 0.05 -0.01 -0.01 -0.00 -0.01 0.02 0.04 0.05 0.01 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.02 0.01 -0.00 -0.01 -0.01 -0.04 0.00 -0.01 0.00 -0.00 0.01 0.01 0.56 0.14 -0.04 -0.28 -0.01 0.01 0.01 -0.03 0.00 -0.50 -0.17 0.06 -0.40 -0.14 0.03 0.01 -0.04 0.01 0.00 -0.04 0.06 0.00 -0.05 -0.04 -0.01 -0.01 0.01 -0.07 0.01 0.02 0.05 -0.00 -0.02 0.01 -0.01 -0.00 0.00 -0.01 -0.04 0.00 -0.01 0.09 0.00 -0.02 -0.14 0.01 -0.02 0.12 0.00 -0.01 0.18 -0.01 -0.00 -0.13 -0.01 0.03 0.01 -0.01 0.03 0.22 0.05 -0.12 0.14 -0.01 -0.01 -0.21 -0.05 0.14 0.01 -0.00 -0.00 0.02 -0.00 -0.01 -0.09 -0.01 -0.01 -0.16 0.01 0.06 0.16 -0.01 0.13 -0.24 -0.01 -0.21 -0.14 0.01 -0.01 0.14 -0.02 -0.19 -0.27 -0.01 0.17 -0.26 0.00 0.25 0.19 0.01 -0.03 0.30 0.01 0.13 0.23 0.02 -0.21 0.22 0.00 -0.01 -0.14 0.01 -0.00 -0.08 0.01 -0.01 -0.11 0.02 0.01 0.06 0.02 -0.01 -0.11 -0.01 -0.00 0.04 -0.06 -0.00 0.15 -0.03 0.00 0.10 0.13 0.05 0.09 -0.01 -0.00 0.07 -0.21 -0.03 0.16 -0.00 0.01 0.30 0.00 -0.00 -0.09 0.01 0.02 0.10 -0.04 -0.03 -0.15 -0.03 -0.06 -0.04 0.06 0.08 -0.08 0.06 0.02 0.16 0.09 -0.02 0.10 -0.09 0.08 0.10 -0.27 -0.18 -0.19 0.07 0.02 -0.37 -0.08 0.08 0.36 0.32 -0.01 0.22 0.00 -0.01 -0.11 0.00 -0.01 -0.08 0.00 -0.01 -0.11 0.01 0.00 0.02 0.00 -0.01 -0.09 -0.01 -0.01 -0.01 -0.05 -0.02 0.11 -0.02 -0.01 0.03 0.08 0.06 0.03 0.01 -0.01 -0.01 -0.21 -0.05 0.12 -0.00 -0.01 0.25 0.02 0.01 -0.01 0.04 -0.01 0.12 0.03 0.05 0.13 -0.05 0.07 -0.09 0.12 -0.08 -0.04 -0.04 -0.01 -0.10 0.12 0.14 0.24 -0.02 -0.19 0.24 0.21 0.24 0.17 -0.06 -0.03 0.36 0.07 -0.17 -0.32 -0.29 0.13 -0.20 0.00 0.18 -0.01 -0.11 0.09 0.01 0.12 0.13 -0.01 -0.08 -0.08 0.03 -0.23 0.13 0.01 0.18 -0.02 -0.02 0.06 -0.12 0.01 -0.18 -0.14 0.07 -0.07 -0.15 0.04 0.30 -0.06 -0.04 0.04 -0.11 0.01 0.09 -0.23 0.02 0.03 0.12 -0.01 0.08 -0.14 0.00 -0.14 0.05 -0.03 0.09 0.13 0.00 0.04 0.17 -0.00 -0.10 -0.15 0.02 0.15 -0.19 -0.00 0.14 -0.16 -0.00 -0.20 0.03 -0.04 -0.23 0.14 -0.07 -0.19 -0.24 0.06 -0.12 -0.19 0.03 -0.01 0.02 0.06 -0.02 0.01 -0.00 -0.01 0.01 -0.07 -0.04 0.04 -0.10 -0.03 0.01 0.01 -0.00 -0.01 -0.09 -0.10 -0.04 0.10 0.03 -0.02 -0.27 -0.13 0.25 -0.14 0.05 -0.04 -0.23 -0.40 -0.14 0.12 0.00 -0.05 0.38 0.03 0.01 0.17 0.07 -0.00 -0.09 0.05 -0.02 0.01 0.10 -0.07 0.27 -0.03 0.13 0.21 0.05 -0.01 -0.00 -0.07 -0.09 -0.19 0.21 0.09 -0.19 0.06 -0.15 -0.00 0.04 0.04 -0.07 0.04 0.05 0.04 0.08 -0.08 0.04 -0.08 0.02 0.00 -0.14 -0.01 0.02 -0.16 0.04 0.07 -0.15 -0.06 0.05 -0.20 0.00 -0.00 -0.15 0.01 0.05 -0.12 -0.01 -0.09 -0.18 -0.01 0.16 -0.11 -0.21 0.07 -0.14 0.01 0.13 0.06 0.05 -0.10 -0.17 -0.01 -0.25 0.13 0.03 -0.08 0.31 -0.01 0.02 0.14 0.04 -0.03 0.12 0.04 -0.11 0.15 0.01 -0.08 0.16 -0.02 0.00 0.40 -0.01 0.05 0.24 -0.05 0.06 0.14 0.09 -0.03 0.15 0.01 0.01 0.12 -0.10 0.00 0.16 -0.00 -0.01 0.01 -0.01 0.00 0.01 -0.01 0.22 0.02 -0.02 -0.09 -0.03 0.05 -0.11 0.02 -0.02 0.50 0.00 -0.01 0.08 0.00 -0.03 0.01 0.17 -0.02 -0.44 -0.33 0.32 -0.21 -0.02 0.00 0.26 -0.00 -0.11 0.01 0.00 -0.01 0.03 -0.00 0.01 -0.11 0.02 -0.01 0.03 -0.01 0.02 -0.03 -0.02 0.06 -0.17 0.03 -0.07 -0.13 -0.00 -0.01 0.00 0.10 0.03 0.08 -0.07 -0.05 0.08 -0.03 0.09 -0.02 -0.01 -0.00 0.01 -0.02 -0.04 0.00 -0.00 0.02 -0.01 0.00 0.01 0.20 0.01 0.01 -0.00 -0.00 0.01 0.17 -0.00 0.02 -0.03 0.00 0.02 -0.26 0.04 -0.01 -0.16 -0.03 -0.01 0.05 0.03 0.01 -0.09 -0.04 0.09 -0.05 0.10 -0.05 -0.52 -0.30 -0.04 0.06 0.06 -0.05 0.27 -0.01 -0.04 -0.18 -0.01 -0.00 0.06 0.01 0.00 -0.03 -0.00 0.08 -0.31 -0.02 -0.20 -0.22 0.02 0.00 0.01 0.13 0.07 0.15 -0.18 -0.06 0.15 -0.02 0.12 -0.02 0.03 -0.06 0.03 0.01 -0.03 -0.00 0.02 0.06 -0.01 0.04 -0.17 0.06 0.11 -0.13 -0.02 -0.06 -0.15 0.05 0.10 -0.00 -0.01 0.20 -0.16 -0.10 -0.09 -0.05 -0.02 -0.01 0.03 0.00 0.17 0.05 -0.02 0.11 0.03 -0.01 -0.16 -0.03 -0.11 -0.04 0.03 0.01 -0.02 0.11 0.03 0.02 0.26 0.01 0.11 -0.02 -0.01 -0.12 0.20 -0.05 0.01 0.23 0.04 -0.03 0.37 0.04 -0.10 -0.04 0.01 0.16 -0.09 -0.03 0.19 -0.04 -0.03 -0.20 0.18 -0.06 -0.21 0.29 -0.09 -0.19 -0.14 0.06 -0.11 -0.08 0.03 0.20 0.06 0.02 0.10 -0.01 0.05 -0.10 0.16 0.01 0.11 -0.16 -0.07 -0.04 0.04 0.23 -0.07 0.06 0.02 -0.16 -0.08 -0.09 0.07 -0.01 0.21 0.23 -0.42 -0.02 0.05 0.04 0.28 -0.48 -0.21 -0.07 -0.06 0.02 0.25 0.06 0.02 -0.01 -0.09 -0.00 0.00 -0.01 -0.01 0.00 0.09 0.06 -0.04 0.07 -0.01 -0.02 -0.01 -0.00 -0.00 -0.09 0.02 0.02 -0.07 -0.01 0.00 -0.03 -0.02 -0.00 -0.03 0.02 -0.02 0.01 0.03 -0.00 -0.01 0.00 -0.00 0.13 -0.03 0.03 -0.10 -0.18 -0.03 0.16 -0.07 -0.01 -0.15 0.01 0.01 -0.15 -0.16 -0.15 0.05 0.21 0.01 -0.10 0.08 -0.02 -0.02 0.11 0.01 -0.15 0.02 0.01 -0.02 0.23 0.10 -0.07 0.09 -0.02 -0.06 -0.11 -0.04 -0.04 0.10 0.01 -0.17 -0.13 0.03 0.10 0.08 -0.04 0.03 0.12 0.01 -0.03 0.19 0.03 0.14 -0.09 -0.03 -0.28 0.03 0.10 -0.22 -0.22 0.08 0.22 0.20 -0.01 -0.01 0.06 0.12 0.06 0.07 0.16 0.31 -0.19 0.03 -0.10 0.04 0.03 0.05 0.15 -0.01 -0.12 0.04 -0.05 0.10 -0.00 -0.01 0.09 0.14 0.10 -0.06 -0.15 0.02 0.07 -0.06 0.02 -0.04 -0.08 0.02 0.14 -0.03 0.00 0.01 -0.18 -0.10 0.11 -0.07 0.02 0.01 0.11 -0.02 -0.14 0.06 0.01 -0.09 -0.12 0.02 0.10 0.10 -0.06 -0.06 0.02 0.07 -0.15 0.22 0.05 0.15 -0.08 -0.04 -0.16 0.04 0.11 -0.18 -0.22 0.10 0.28 0.29 -0.01 -0.02 0.01 0.21 0.02 0.07 0.21 0.38 -0.20 0.05 0.04 0.03 0.41 -0.01 0.00 -0.14 0.03 -0.02 -0.36 -0.00 -0.02 -0.03 -0.05 0.01 -0.23 -0.05 0.03 0.18 0.00 0.00 0.03 -0.14 -0.02 0.13 0.19 -0.12 0.03 0.01 -0.01 -0.13 0.35 -0.08 -0.01 -0.13 0.10 -0.26 0.02 -0.02 -0.03 0.02 0.02 -0.01 -0.02 -0.02 0.01 0.14 0.14 -0.17 -0.13 -0.24 -0.06 -0.03 0.02 0.01 0.15 0.03 0.04 -0.09 -0.01 0.04 -0.10 -0.13 -0.01 0.01 0.05 -0.13 0.01 -0.01 -0.05 -0.08 0.04 -0.01 0.14 0.04 -0.05 0.01 -0.06 0.01 -0.11 0.10 -0.00 -0.02 -0.01 0.07 -0.08 -0.03 -0.30 -0.05 -0.06 0.00 0.01 -0.03 0.07 0.15 -0.12 -0.30 -0.24 0.35 -0.02 0.11 -0.13 -0.37 0.40 0.12 0.04 -0.14 -0.01 -0.33 0.06 0.02 0.00 -0.06 -0.00 0.00 0.00 -0.02 0.01 0.10 0.07 -0.03 0.14 0.01 -0.01 -0.00 -0.00 -0.00 -0.10 0.01 0.00 -0.02 -0.01 -0.01 -0.02 -0.06 0.01 -0.02 0.03 -0.04 0.03 0.03 -0.02 -0.01 -0.01 -0.00 -0.00 0.00 -0.03 -0.00 0.00 -0.01 -0.01 -0.00 0.02 -0.00 0.01 0.00 0.00 -0.00 0.08 0.00 -0.01 -0.02 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.02 0.00 -0.02 -0.00 0.06 -0.02 0.02 0.00 0.01 -0.01 0.02 -0.01 0.03 0.05 -0.01 -0.02 -0.09 0.01 0.01 0.06 0.05 0.16 -0.09 -0.07 -0.17 0.01 0.02 0.01 -0.01 0.50 0.18 0.18 -0.46 -0.25 0.18 -0.14 -0.32 -0.00 0.06 0.18 -0.27 0.10 0.14 -0.02 -0.05 -0.14 0.04 0.01 -0.00 -0.00 0.01 -0.02 0.02 0.01 0.02 -0.01 0.00 -0.02 -0.00 -0.01 -0.01 -0.09 0.00 0.03 0.02 -0.01 -0.00 0.00 0.04 -0.00 -0.02 -0.03 -0.01 -0.01 0.04 0.01 -0.14 0.03 -0.03 -0.00 -0.02 0.00 -0.02 0.01 -0.03 -0.01 0.02 0.03 -0.06 -0.02 -0.03 -0.03 0.02 -0.34 0.31 -0.12 0.32 0.09 -0.05 0.02 0.01 0.46 0.06 0.09 -0.27 -0.06 0.08 0.12 0.31 0.03 -0.02 -0.22 0.30 -0.12 0.07 0.13 0.08 -0.06 0.06 0.05 0.01 0.08 -0.01 -0.02 -0.07 -0.04 0.02 -0.01 -0.02 0.03 0.05 -0.01 -0.01 0.08 0.02 -0.08 -0.13 0.02 0.00 0.01 -0.02 -0.06 -0.08 0.01 0.24 0.04 -0.11 0.01 0.85 -0.02 0.25 0.02 0.04 -0.10 -0.02 0.03 -0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.02 -0.02 0.07 -0.05 0.05 -0.01 0.06 0.01 -0.02 0.00 -0.00 0.04 0.01 0.01 -0.02 0.00 0.01 0.06 0.11 0.01 -0.03 -0.07 0.11 -0.05 0.02 0.05 0.05 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.09 -0.00 0.01 0.01 0.00 0.00 0.00 -0.01 0.00 0.01 0.03 -0.01 -0.00 0.00 0.00 -0.07 0.01 -0.01 0.00 0.00 0.01 0.00 0.03 -0.03 0.03 0.04 0.04 -0.00 -0.05 -0.01 -0.00 -0.05 0.12 -0.14 0.13 -0.27 -0.04 -0.05 0.01 -0.08 -0.13 0.30 0.11 0.27 -0.25 0.09 0.18 -0.04 0.01 -0.19 0.03 0.10 -0.25 0.30 0.34 0.36 -0.29 0.12 0.02 -0.01 0.01 -0.04 -0.05 -0.11 -0.01 0.03 0.04 0.00 -0.01 -0.03 -0.05 -0.05 0.88 -0.00 0.02 -0.00 0.01 0.01 0.06 -0.08 -0.04 0.01 0.19 0.07 0.01 0.04 -0.00 -0.27 0.15 0.07 0.05 -0.04 -0.00 -0.08 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.03 -0.02 0.01 -0.04 0.03 0.00 -0.00 0.00 0.01 0.02 -0.05 -0.02 -0.04 0.06 -0.02 -0.00 0.05 -0.00 0.01 -0.03 0.03 0.01 -0.05 -0.03 -0.03 0.06 -0.02 0.07 -0.01 -0.01 0.11 0.06 -0.01 0.05 -0.04 0.02 -0.13 0.21 0.01 0.35 -0.02 0.17 0.07 -0.17 0.05 -0.20 -0.06 -0.07 -0.19 0.38 0.32 0.11 -0.04 0.09 0.31 -0.26 -0.10 0.02 -0.08 -0.09 -0.26 -0.11 -0.26 0.03 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.12 -0.01 0.03 0.10 0.07 0.00 -0.01 0.00 0.00 -0.01 0.03 0.01 -0.05 -0.01 0.01 -0.02 0.04 0.00 -0.01 -0.01 0.02 -0.01 0.02 0.01 -0.01 -0.01 0.01 0.08 0.03 -0.01 -0.11 -0.06 0.03 -0.06 -0.02 -0.01 -0.06 0.10 -0.07 -0.13 -0.05 -0.03 -0.03 -0.11 0.04 0.18 0.07 -0.01 -0.24 0.16 0.24 0.06 -0.29 -0.00 -0.18 -0.07 -0.13 -0.22 -0.16 0.01 0.30 0.15 0.37 0.06 0.02 -0.02 -0.05 -0.00 -0.01 -0.01 -0.05 0.01 0.30 0.03 0.02 0.28 0.22 -0.01 -0.00 0.01 0.00 -0.07 0.06 0.02 -0.07 -0.03 0.01 -0.05 0.05 0.02 -0.00 -0.07 0.04 0.07 0.08 -0.03 -0.03 -0.01 0.01 0.01 -0.00 -0.01 -0.02 -0.03 0.01 -0.01 0.02 -0.00 0.00 0.02 -0.00 -0.02 -0.03 -0.05 0.01 -0.03 0.01 0.01 0.02 -0.01 0.03 0.07 0.04 0.01 -0.03 0.00 0.05 -0.04 -0.01 -0.04 -0.01 -0.01 0.03 0.04 0.04 -0.00 0.01 0.07 -0.01 0.01 0.02 0.01 -0.00 -0.05 -0.08 0.20 -0.15 -0.04 -0.30 0.00 -0.02 -0.01 -0.01 0.27 -0.31 -0.10 -0.26 0.33 -0.08 0.39 -0.07 -0.03 -0.20 0.06 0.09 -0.23 -0.24 0.09 0.23 0.24 -0.07 0.04 -0.03 -0.01 0.14 0.11 -0.02 -0.03 -0.06 0.01 -0.13 0.00 0.02 0.34 0.04 0.06 -0.09 0.13 -0.04 0.09 -0.11 0.04 -0.41 -0.22 -0.01 -0.17 -0.09 0.01 -0.35 0.21 -0.06 0.09 -0.19 0.03 0.15 -0.40 0.01 0.03 -0.00 0.02 -0.01 0.01 -0.00 0.00 0.00 -0.02 0.16 0.07 -0.04 0.15 -0.01 -0.00 -0.02 -0.01 0.00 -0.01 -0.03 -0.02 -0.17 0.11 -0.01 0.09 0.01 -0.01 -0.07 0.03 0.03 -0.08 -0.06 0.03 0.05 0.05 -0.01 0.01 -0.07 0.01 0.03 -0.11 0.00 -0.09 0.16 -0.03 -0.06 0.08 0.01 0.26 -0.20 -0.05 0.03 0.04 0.01 0.09 -0.04 -0.02 -0.06 0.14 0.11 0.00 -0.06 0.04 0.19 -0.00 0.02 -0.04 -0.15 -0.01 0.19 -0.24 0.10 -0.06 -0.03 -0.00 0.01 0.00 0.01 0.04 0.07 -0.00 -0.44 -0.17 0.06 -0.37 -0.15 0.01 -0.01 -0.00 0.00 0.11 -0.03 0.02 0.33 -0.15 -0.00 -0.06 -0.02 -0.03 0.17 0.04 -0.11 -0.03 -0.03 0.01 -0.11 -0.11 0.03 0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.02 0.00 -0.00 -0.00 0.00 0.04 0.01 0.02 -0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.02 -0.02 -0.00 0.01 0.01 0.00 -0.03 0.02 -0.01 0.02 -0.01 0.00 -0.01 -0.04 -0.02 -0.06 0.10 -0.03 -0.06 -0.06 0.02 0.01 -0.13 0.03 -0.06 0.19 -0.10 0.02 0.14 -0.04 -0.01 0.09 -0.01 0.46 -0.37 -0.01 0.51 -0.19 -0.07 0.12 -0.09 0.04 0.04 -0.18 0.07 0.13 0.32 -0.03 0.12 0.15 -0.02 0.03 0.03 -0.01 -0.01 0.04 0.00 0.03 -0.05 0.01 0.00 -0.03 -0.02 -0.14 0.09 0.02 -0.02 -0.03 -0.00 -0.01 0.03 0.02 -0.05 -0.06 -0.02 -0.01 -0.03 -0.02 -0.10 -0.01 -0.02 0.01 0.06 0.01 -0.05 0.13 -0.01 0.02 -0.07 0.00 -0.09 -0.03 0.01 0.20 0.12 -0.05 0.13 -0.09 0.05 0.15 -0.05 -0.01 -0.18 0.02 0.04 0.17 -0.16 0.01 0.27 -0.18 -0.01 0.20 -0.05 -0.09 0.48 0.04 -0.21 -0.37 -0.09 0.16 -0.26 -0.16 0.10 -0.01 0.01 0.02 0.01 0.02 -0.11 0.00 -0.01 -0.02 0.01 -0.01 0.18 0.04 0.01 0.22 -0.02 -0.01 0.11 0.02 -0.00 -0.17 0.32 -0.06 -0.25 -0.39 0.27 0.05 0.05 -0.05 -0.22 -0.47 0.06 -0.13 0.23 -0.14 0.29 0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 0.12 0.03 -0.01 0.04 0.02 -0.00 -0.01 0.01 0.00 -0.02 -0.01 0.00 -0.01 -0.01 0.00 0.02 0.00 -0.00 0.02 -0.01 -0.00 -0.02 0.01 0.01 -0.01 0.01 0.01 0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.02 -0.01 -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 0.02 0.00 -0.04 -0.04 -0.02 -0.04 -0.03 -0.01 -0.01 -0.01 -0.00 -0.02 0.04 0.01 -0.00 0.06 0.02 0.05 -0.17 0.05 -0.04 -0.13 0.02 -0.11 0.17 -0.03 0.18 -0.22 0.12 0.16 -0.24 0.02 0.07 0.12 -0.02 0.20 -0.33 -0.03 0.13 -0.13 -0.04 -0.23 0.24 -0.03 -0.27 0.27 -0.01 0.20 0.30 -0.07 0.13 0.30 -0.08 0.09 0.01 -0.01 0.07 0.05 -0.02 0.03 -0.02 0.01 -0.10 -0.09 -0.01 0.07 0.06 0.06 0.01 -0.08 0.02 -0.00 0.12 0.01 -0.31 -0.31 -0.12 -0.29 -0.17 -0.06 -0.01 -0.08 -0.05 -0.12 0.25 0.03 -0.04 0.39 0.10 -0.02 0.01 -0.00 -0.02 0.08 0.00 -0.03 -0.01 0.01 -0.30 -0.07 0.03 -0.34 -0.13 0.01 0.06 -0.06 -0.01 0.17 0.04 0.03 0.22 0.02 -0.02 -0.08 0.02 0.01 -0.08 0.02 0.03 0.05 -0.13 -0.03 0.01 -0.09 -0.01 0.03 0.04 0.00 -0.04 0.02 0.00 0.01 -0.06 0.01 0.05 0.05 0.02 -0.26 0.09 0.01 -0.03 0.01 -0.01 -0.00 -0.07 -0.01 0.18 0.18 0.07 0.15 0.13 0.04 -0.23 0.07 -0.05 0.04 -0.15 -0.02 0.03 -0.25 -0.05 -0.02 -0.04 0.02 -0.11 0.15 -0.00 -0.03 0.03 -0.01 -0.09 -0.06 0.02 0.20 -0.04 -0.02 0.09 -0.12 -0.01 0.44 0.01 0.05 0.39 0.06 -0.08 -0.15 0.08 -0.01 -0.17 0.12 0.02 0.07 -0.25 -0.05 -0.03 -0.18 -0.01 -0.06 -0.04 0.04 0.01 -0.02 -0.01 -0.01 0.04 -0.01 -0.01 -0.03 -0.01 0.24 -0.10 0.02 0.03 0.02 0.00 -0.00 0.03 0.00 -0.09 -0.12 -0.04 -0.04 -0.04 -0.02 0.25 -0.05 0.05 -0.02 0.10 0.01 -0.02 0.13 0.02 -0.02 -0.01 -0.00 -0.03 0.03 -0.01 0.01 0.01 0.02 -0.22 -0.04 -0.01 0.80 0.23 -0.06 0.01 -0.03 -0.02 0.12 -0.05 -0.02 -0.07 0.10 -0.04 0.00 -0.07 0.00 -0.03 0.06 -0.04 0.00 -0.01 -0.00 -0.00 -0.09 0.01 -0.08 -0.03 -0.02 0.00 -0.03 0.01 -0.01 0.03 -0.00 0.00 -0.02 -0.00 0.28 -0.13 -0.04 0.03 0.03 -0.01 -0.00 0.01 0.01 -0.04 -0.07 -0.03 -0.04 -0.05 -0.01 0.24 -0.03 0.06 0.01 0.02 0.01 -0.02 0.11 0.01 -0.01 -0.02 0.02 -0.05 0.06 -0.00 0.01 -0.01 -0.03 0.77 0.24 -0.08 -0.15 -0.02 0.04 0.01 -0.03 0.03 0.10 0.10 0.06 0.22 -0.07 -0.01 -0.03 0.11 -0.02 -0.08 -0.01 0.07 0.01 -0.13 -0.02 -0.07 0.00 0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 0.01 0.03 0.06 -0.03 0.06 0.01 0.00 -0.03 -0.00 0.00 0.02 0.15 0.09 -0.00 -0.25 -0.17 -0.03 -0.02 0.02 0.07 0.09 -0.31 0.00 -0.06 0.18 -0.01 0.00 -0.02 -0.09 -0.01 0.02 0.07 0.01 0.03 0.13 0.25 -0.18 0.13 -0.21 0.24 -0.00 -0.01 -0.03 -0.12 0.06 -0.22 -0.05 -0.04 0.27 -0.05 -0.12 -0.27 0.09 0.03 0.20 -0.16 -0.19 0.07 0.14 0.31 -0.09 -0.05 -0.00 -0.01 -0.01 0.00 -0.00 0.05 -0.00 -0.00 -0.00 -0.00 -0.01 -0.05 -0.03 0.01 -0.11 -0.01 0.00 0.05 0.00 -0.01 -0.03 -0.27 -0.18 0.00 0.44 0.31 0.05 0.08 -0.03 -0.10 -0.16 0.55 -0.00 0.10 -0.30 0.02 -0.00 -0.01 -0.04 -0.00 0.01 0.03 0.01 0.01 0.06 0.15 -0.07 0.05 -0.12 0.10 0.00 -0.00 -0.01 -0.05 0.03 -0.09 -0.02 -0.01 0.11 -0.02 -0.06 -0.11 0.04 0.01 0.08 -0.06 -0.08 0.03 0.06 0.14 -0.03 -0.02 0.04 0.01 -0.01 -0.07 -0.01 0.02 0.01 -0.05 0.01 0.06 0.08 0.06 0.03 -0.04 -0.02 -0.06 0.06 -0.03 0.02 -0.10 -0.05 -0.42 -0.34 -0.05 0.12 0.27 0.06 0.34 -0.06 0.08 -0.07 -0.27 -0.06 -0.12 0.56 0.02 0.02 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.10 -0.03 0.02 -0.08 -0.07 0.00 -0.00 -0.01 -0.00 0.01 -0.03 -0.01 -0.01 0.02 -0.00 -0.02 0.03 -0.00 0.02 -0.02 0.00 0.04 0.05 -0.01 -0.00 -0.02 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 -0.04 0.02 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.03 0.03 0.00 -0.01 -0.02 -0.01 0.02 -0.01 0.00 0.01 0.02 0.00 0.01 -0.04 0.00 0.00 -0.01 0.02 0.03 0.03 0.08 0.05 -0.00 -0.07 0.02 0.06 -0.05 -0.08 -0.06 0.02 -0.06 -0.07 -0.01 0.03 -0.19 -0.06 -0.13 0.28 -0.01 0.03 0.11 -0.06 -0.18 0.09 0.04 0.41 0.60 -0.13 -0.23 -0.38 0.09 0.01 -0.06 0.00 0.05 0.03 -0.01 -0.04 -0.05 -0.00 -0.01 0.02 -0.01 -0.52 0.23 0.03 -0.03 0.04 -0.01 0.02 0.03 0.01 0.00 0.05 0.02 -0.11 -0.11 -0.02 0.57 -0.15 0.12 0.03 -0.02 0.01 0.07 -0.14 0.02 -0.01 -0.01 -0.03 -0.00 0.00 -0.02 0.02 0.00 0.01 0.02 -0.07 0.03 -0.03 0.12 -0.00 -0.01 -0.01 0.04 -0.03 0.09 0.02 0.06 -0.09 0.01 0.20 -0.16 0.00 -0.26 0.20 -0.01 0.05 -0.01 -0.03 0.01 0.14 -0.01 0.00 0.03 0.00 -0.03 -0.02 0.01 0.03 0.03 0.00 0.01 -0.01 0.01 0.25 -0.11 -0.01 0.01 -0.02 0.01 -0.01 -0.02 -0.01 -0.03 -0.04 -0.01 0.08 0.09 0.02 -0.32 0.08 -0.06 -0.02 -0.01 -0.01 -0.05 0.11 -0.01 -0.01 -0.02 -0.06 0.00 0.00 -0.03 0.02 0.01 0.01 -0.01 -0.18 0.10 -0.05 0.15 -0.02 -0.02 -0.02 0.08 -0.05 0.13 0.04 0.08 -0.12 0.02 0.45 -0.31 -0.00 -0.43 0.34 -0.01 0.15 0.05 -0.08 -0.06 0.16 0.00 0.00 0.02 0.00 -0.01 0.00 -0.00 -0.01 -0.02 0.00 0.01 -0.00 -0.01 0.08 -0.03 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.01 0.04 0.03 0.00 -0.04 -0.07 -0.02 0.09 -0.03 0.01 0.00 0.07 0.01 0.01 -0.05 -0.00 0.00 0.03 -0.01 -0.01 0.02 -0.01 -0.10 0.09 0.00 0.10 -0.11 0.16 0.06 -0.20 -0.07 -0.03 -0.12 0.02 0.02 0.12 0.06 0.05 0.08 -0.05 0.34 -0.23 -0.01 0.52 -0.32 -0.02 0.29 0.22 -0.13 0.25 0.24 -0.08 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.02 0.01 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.03 0.04 0.01 -0.08 0.02 -0.01 -0.00 -0.03 -0.01 -0.01 0.03 -0.00 -0.01 -0.01 0.03 0.01 0.02 -0.04 0.11 -0.02 0.01 -0.11 0.08 -0.09 0.02 0.05 0.04 -0.11 -0.10 0.02 -0.02 0.13 0.02 0.03 -0.08 0.01 -0.47 0.28 0.01 -0.05 0.13 -0.04 0.09 0.16 -0.04 0.46 0.55 -0.15 0.03 0.08 -0.00 -0.08 0.02 -0.01 0.00 -0.07 0.01 0.04 0.02 -0.04 0.42 -0.15 0.01 -0.08 0.03 -0.00 0.03 -0.09 0.04 0.23 0.21 0.04 -0.25 -0.35 -0.08 0.29 -0.09 0.04 -0.06 0.55 0.07 0.00 -0.04 -0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.02 0.00 -0.14 -0.05 0.03 -0.07 -0.04 -0.00 -0.00 0.01 0.00 -0.01 -0.02 -0.01 -0.00 -0.04 0.02 -0.09 0.07 0.00 -0.12 0.09 -0.01 -0.04 -0.02 0.02 -0.01 0.02 -0.00 -0.01 -0.04 0.00 0.07 0.02 -0.01 0.01 0.02 -0.00 -0.15 -0.05 -0.01 -0.16 0.10 0.00 -0.00 0.03 -0.01 0.08 -0.12 0.00 0.37 0.41 0.10 0.25 0.20 0.07 -0.04 0.05 -0.01 -0.13 0.25 0.03 -0.10 0.62 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.06 0.03 -0.02 0.03 0.02 0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 0.02 -0.01 0.02 -0.02 -0.00 0.03 -0.03 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.02 -0.08 0.01 0.03 -0.04 -0.01 0.02 0.07 -0.01 0.08 0.11 0.00 -0.39 0.10 0.01 0.05 0.01 0.02 -0.01 -0.11 0.01 -0.27 -0.13 0.02 -0.42 -0.33 -0.08 -0.33 0.13 -0.07 -0.14 0.43 0.03 -0.12 0.14 -0.08 -0.01 -0.02 0.01 0.00 0.00 0.00 -0.01 0.01 0.00 0.07 0.07 -0.08 0.02 0.09 0.03 0.00 -0.00 -0.00 0.01 0.01 0.01 0.01 0.02 -0.01 0.04 -0.02 0.00 0.05 -0.03 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.02 -0.00 -0.01 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.07 -0.02 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.03 0.01 -0.00 0.03 0.02 0.00 0.03 -0.02 0.01 0.02 -0.02 -0.00 0.01 -0.02 0.01 0.04 -0.12 0.03 -0.00 0.02 -0.00 -0.06 0.04 0.01 -0.19 0.34 -0.51 -0.20 0.60 0.23 0.01 -0.01 0.00 -0.00 -0.05 -0.04 0.00 -0.06 0.04 0.21 0.02 0.02 0.17 -0.02 -0.14 0.05 0.02 -0.02 0.02 0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.03 0.01 -0.00 0.01 0.01 0.03 0.01 -0.00 -0.00 0.01 0.07 -0.00 0.02 0.06 -0.03 0.00 0.02 -0.03 0.00 0.04 0.01 -0.00 -0.01 0.00 -0.11 -0.33 -0.27 -0.10 -0.35 0.25 -0.26 -0.47 -0.11 -0.08 -0.21 0.49 0.03 -0.02 -0.04 0.05 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.03 -0.04 -0.03 0.02 -0.00 -0.00 0.01 0.00 -0.00 -0.04 -0.02 -0.03 -0.17 0.17 0.49 -0.34 0.39 -0.14 -0.01 0.01 -0.00 0.43 0.10 -0.05 0.13 0.05 0.43 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 -0.01 0.02 0.03 0.01 0.00 0.01 -0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.00 -0.00 -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 0.02 0.00 -0.00 0.01 -0.00 0.02 0.01 -0.02 0.00 -0.01 -0.06 -0.00 0.02 0.03 -0.02 -0.05 0.06 -0.09 -0.03 0.10 0.03 0.03 -0.02 -0.01 0.10 0.31 0.25 0.10 0.33 -0.24 -0.19 -0.31 -0.08 -0.07 -0.14 0.34 -0.15 0.22 0.32 -0.33 0.21 -0.15 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.05 0.02 -0.04 0.01 -0.00 0.01 0.00 -0.00 -0.06 -0.03 -0.04 0.13 -0.13 -0.41 0.27 -0.33 0.12 -0.03 0.01 -0.00 0.52 0.13 -0.06 0.14 0.08 0.52 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 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 0.02 -0.00 0.01 0.06 -0.00 -0.02 -0.03 0.01 0.03 -0.04 0.06 0.03 -0.07 -0.03 0.06 -0.07 -0.02 -0.07 -0.22 -0.20 -0.07 -0.25 0.19 0.13 0.18 0.05 0.05 0.06 -0.21 -0.18 0.28 0.46 -0.43 0.32 -0.24 0.21 -0.31 -0.00 -0.30 0.31 0.00 -0.34 -0.12 -0.04 0.04 -0.03 0.00 0.32 0.16 -0.01 0.40 0.09 0.05 -0.04 -0.00 0.00 0.19 0.02 -0.09 0.12 -0.02 0.02 -0.12 0.30 -0.08 -0.10 0.05 0.01 -0.11 0.10 -0.13 0.03 0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 -0.03 -0.02 0.02 -0.06 -0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 -0.01 0.01 -0.01 0.00 -0.01 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.16 0.46 -0.01 0.25 -0.25 -0.01 -0.39 -0.32 -0.03 -0.01 0.02 0.01 -0.20 -0.14 0.04 0.36 0.09 0.05 -0.01 -0.02 -0.01 -0.16 -0.07 0.04 -0.06 -0.00 -0.02 -0.02 0.26 -0.03 -0.08 0.07 0.01 -0.09 0.18 -0.07 0.04 -0.00 -0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.13 -0.02 -0.01 -0.06 0.01 0.01 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 -0.02 0.01 -0.00 -0.02 0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.02 -0.06 -0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.03 -0.10 0.15 -0.12 -0.22 0.06 0.88 0.00 0.01 0.00 -0.02 0.01 -0.36 -0.03 -0.01 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.02 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.03 -0.00 -0.06 -0.08 0.11 -0.08 -0.08 0.02 0.32 -0.01 -0.01 -0.00 0.05 -0.03 0.88 0.25 0.06 -0.11 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -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 -0.04 -0.06 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.03 0.06 -0.54 0.40 0.59 0.38 0.11 -0.06 0.11 0.02 -0.05 -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 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.05 -0.04 -0.02 0.02 0.03 -0.06 0.01 0.02 0.04 0.01 0.02 -0.15 0.08 0.11 0.08 -0.47 0.25 -0.43 -0.09 0.25 0.63 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.04 -0.05 0.05 -0.02 -0.08 -0.00 -0.00 -0.00 -0.00 0.03 0.01 -0.01 -0.47 0.64 -0.42 0.06 -0.02 -0.19 0.01 0.02 0.00 0.01 -0.00 0.03 -0.34 -0.09 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 -0.01 -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 -0.02 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 -0.07 -0.02 0.05 -0.18 0.24 -0.16 0.04 -0.01 -0.15 -0.02 -0.05 0.00 -0.03 0.01 -0.27 0.80 0.20 -0.30 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.02 -0.00 -0.03 -0.06 -0.01 0.00 -0.00 -0.00 0.03 -0.13 -0.13 0.03 -0.04 0.17 -0.00 0.01 0.01 0.14 0.32 -0.53 0.17 0.32 0.61 -0.00 -0.01 0.04 -0.00 0.00 0.00 -0.02 0.01 -0.02 0.02 -0.05 -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 -0.02 -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 -0.01 -0.00 0.00 -0.02 0.05 -0.02 0.00 0.01 0.00 0.01 0.01 0.03 0.09 -0.44 -0.42 0.08 -0.14 0.60 -0.01 -0.00 -0.02 -0.02 -0.06 0.10 -0.03 -0.07 -0.14 0.02 0.04 -0.28 -0.10 -0.14 -0.08 0.12 -0.07 0.11 -0.03 0.07 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.04 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.03 -0.00 0.00 0.01 -0.00 -0.01 -0.02 -0.06 0.04 -0.22 -0.22 0.04 -0.06 0.25 0.02 -0.00 0.05 -0.04 -0.08 0.14 -0.03 -0.06 -0.10 -0.04 -0.08 0.59 0.21 0.30 0.18 -0.27 0.15 -0.24 0.05 -0.12 -0.30 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -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 -0.05 0.00 -0.02 -0.02 -0.00 0.00 -0.01 -0.03 -0.00 -0.07 0.02 0.05 -0.09 0.00 0.00 0.00 -0.04 -0.07 0.49 0.16 0.23 0.14 0.39 -0.21 0.34 -0.09 0.21 0.53 -0.00 0.00 0.00 -0.02 -0.08 -0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.32 0.94 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.05 0.06 -0.04 -0.00 -0.00 -0.00 0.01 0.04 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.03 -0.03 0.01 -0.01 0.05 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.03 -0.00 -0.03 -0.08 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.31 0.94 -0.05 -0.00 -0.00 -0.00 0.05 0.01 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.10 -0.00 0.00 0.00 0.01 -0.07 -0.07 -0.01 0.02 -0.10 -0.00 -0.00 -0.01 -0.18 -0.37 0.60 0.17 0.31 0.56 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.02 0.03 -0.01 0.03 0.07 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -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 -0.03 -0.10 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.10 0.49 0.47 0.09 -0.15 0.68 -0.00 -0.00 -0.00 -0.02 -0.05 0.09 0.02 0.05 0.08 -0.00 -0.01 0.04 0.01 0.02 0.01 0.00 -0.00 0.00 -0.00 0.01 0.01 6 6 6 6 1 6 6 1 1 1 1 1 6 6 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 6 6 6 6 1 6 6 1 1 1 1 1 6 6 6 1 1 6 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 134.10955 513.22697 2818.81192 3225.91303 1.0 -0.00241 8.4E-4 0.00241 0.99999 0.00381 -8.5E-4 -0.00381 0.99999 asymmetric 1 0.16876 0.03073 0.02685 3.51646 0.64025 0.55945 545117.7 40.23 103.49 155.21 173.27 274.25 307.14 344.92 406.73 427.89 695.22 793.02 841.21 878.64 959.59 1031.92 1082.85 1120.47 1158.73 1168.08 1230.16 1291.73 1331.25 1356.96 1391.87 1410.53 1439.16 1482.71 1509.38 1540.77 1567.72 1593.56 1617.67 1684.48 1687.95 1757.05 1771.02 1807.10 1809.38 1865.15 1882.00 1906.27 1937.46 1975.60 2038.41 2079.74 2083.18 2088.56 2102.38 2143.69 2389.02 2476.25 4327.98 4338.55 4405.41 4429.69 4470.27 4475.80 4490.50 4499.80 4503.48 4524.00 4543.05 4582.98 4634.40 4688.28 0.207624 0.218018 0.218962 0.170806 -388.614503 -388.604109 -388.603165 -388.651321 136.808 38.923 101.353 0.000 0.000 0.000 0.889 2.981 40.593 0.889 2.981 29.924 135.031 32.961 30.836 1 0.593 1.984 5.969 2 0.598 1.967 4.100 3 0.606 1.943 3.307 4 0.609 1.932 3.093 5 0.634 1.853 2.222 6 0.644 1.820 2.014 7 0.657 1.780 1.805 8 0.682 1.706 1.517 9 0.691 1.679 1.432 10 0.839 1.287 0.701 11 0.906 1.137 0.542 12 0.942 1.065 0.477 13 0.970 1.009 0.432 0.272025e-78 -78.565391 -180.903498 0.861197e+17 16.935103 38.994515 0.576243e-92 -92.239394 -212.389054 1 0.740595e+01 0.869581 2.002283 2 0.286664e+01 0.457373 1.053140 3 0.189941e+01 0.278620 0.641546 4 0.169672e+01 0.229611 0.528698 5 0.104976e+01 0.021091 0.048564 6 0.929090e+00 -0.031942 -0.073550 7 0.818012e+00 -0.087240 -0.200878 8 0.679149e+00 -0.168035 -0.386915 9 0.640407e+00 -0.193544 -0.445652 10 0.345171e+00 -0.461966 -1.063716 11 0.284403e+00 -0.546066 -1.257365 12 0.259408e+00 -0.586016 -1.349352 13 0.241821e+00 -0.616507 -1.419559 0.182431e+04 3.261099 7.508959 1 0.792281e+01 0.898879 2.069745 2 0.340992e+01 0.532744 1.226688 3 0.246412e+01 0.391662 0.901836 4 0.226886e+01 0.355808 0.819277 5 0.166276e+01 0.220829 0.508477 6 0.155509e+01 0.191755 0.441531 7 0.145872e+01 0.163972 0.377559 8 0.134335e+01 0.128190 0.295168 9 0.131248e+01 0.118092 0.271917 10 0.110757e+01 0.044372 0.102170 11 0.107523e+01 0.031500 0.072531 12 0.106329e+01 0.026651 0.061365 13 0.105541e+01 0.023420 0.053927 0.100000e+01 0.000000 0.000000 0.610441e+08 7.785643 17.927107 0.773321e+06 5.888360 13.558449 edo ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.8218 -1.0670 0.2160 1.3640 -56.6304 -61.6684 -62.5665 0.0483 0.4818 0.3985 3.6581 -1.3800 -2.2781 0.0483 0.4818 0.3985 6.9433 -4.3735 1.6050 1.6232 0.7139 -0.6070 -6.6857 -2.2586 0.2063 0.2193 -2255.7137 -443.8465 -120.9456 1.9185 6.8296 4.3487 1.0368 0.1409 0.6453 -443.6420 -391.4520 -98.8418 -1.7273 1.0820 -1.5571 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) 0 1-A -388.8221272 0.657418 0. 0.180066 1.939E-9 1.321E-7 0.2076244 0.2180181 -388.6041091 -388.6031649 -388.6513209 2.719674,-1.0259859,-1.6936881,0.0358914,0.3581853,0.2963045 C01 [X(C10H14)] -0.3233143 -0.4197736 0.0849636 -0.3351619 -0.5173462 0.0474853 -0.1704142 -0.3250491 0.0137708 -0.1326203 -0.0719602 -0.046579 0.1741624 0.1529198 -0.0495328 -0.0552293 0.2058125 -0.0185849 -0.0764019 0.1185438 -0.1798175 0.5355665 0.5421041 -0.0697441 -0.0186195 -0.0379147 0.0106941 0.1462821 0.0454546 -0.1118376 0.0080338 -0.0749529 -0.0025727 0.0006976 -0.0552864 -0.0076332 -0.0621993 -0.1099463 0.1737351 -0.0252073 -0.1129839 0.0000905 0.0262702 -0.0748199 -0.0051172 0.0625996 0.0095853 0.1021391 0.003012 -0.0599362 0.0480889 0.3732718 0.191249 -0.067186 0.0899453 0.0311207 -0.1638016 0.0017669 -0.0116968 -0.0071048 -0.1518868 -0.0442921 -0.0066006 0.0009318 -0.0450202 0.1677059 -0.050891 0.0984493 -0.0305208 0.0948777 -0.0373247 0.0395621 -0.0650153 0.0739475 0.0339232 -0.0395423 0.0785686 0.038724 -0.0597056 0.0684516 -0.0074207 0.0924949 -0.0609069 -0.1349037 -0.0092797 -0.0531309 -0.0076407 -0.0834876 -0.1007571 0.0159456 -0.0336928 0.0121711 0.1235207 -0.0079569 -0.0326926 -0.0100578 0.1228452 0.0668925 0.0240115 -0.1084684 -0.028752 -0.1536797 -0.1948115 -0.064478 0.0287396 0.01722 0.0591427 0.0041017 0.0538331 0.0184133 0.049503 -0.11008 0.3657286 -0.0308538 -0.1177576 -0.0056575 0.0125106 0.0474216 -0.0315357 0.0175799 -0.1133101 -0.19483 0.0008618 -0.4249875 -0.030638 0.0112544 0.1098022 0.045746 0.1510801 0.1937805 0.0468971 -0.0036476 0.201223 0.0962023 0.0064581 0.0608571 -0.0502594 0.077914 0.1348803 0.0073056 -0.0026568 0.06782 -0.0286404 -0.0041307 0.0217297 0.0048352 0.0277268 0.1125998 0.0048177 -0.0038595 0.0535175 -0.0000433 0.0153421 -0.0552325 0.0197759 0.0095164 0.1195929 -0.0191621 0.0507557 -0.1115442 0.0352198 -0.0053405 -0.0615401 0.016087 0.1027406 -0.1839859 -0.0869325 0.0375442 -0.0144807 -0.0161437 0.0426057 0.0300322 0.0819822 -0.0333469 -0.1320843 -0.0506724 -0.0101661 -0.0052672 -0.0154941 -0.0411699 -0.0370593 -0.0810935 -0.0532897 0.0221326 -0.0033768 0.0242098 0.0312579 0.038062 0.0114608 0.003712 0.037113 -0.0935633 -0.0306337 -0.0944988 -0.0070009 0.0143035 -0.0159959 -0.0254553 -0.0762126 -0.0247405 0.0272206 -0.0956276 0.0750328 -0.0514938 0.155383 0.0174974 0.0308061 -0.0884417 0.0647018 0.0022087 0.0230447 0.0048664 0.0103525 0.0546924 0.0095271 -0.0498847 0.0772422 -0.0752627 -0.0956951 204.4283024|22.3960542|117.8655187|-2.018685|-0.1466445|74.80658 0.000000106 0.000000011 0.000000016 -0.000000031 0.000000018 -0.000000099 0.000000010 0.000000041 0.000000176 0.000000006 0.000000009 0.000000073 -0.000000006 0.000000003 -0.000000233 -0.000000041 -0.000000040 0.000000283 0.000000011 -0.000000099 0.000000237 -0.000000030 -0.000000070 -0.000000031 0.000000059 0.000000148 0.000000010 0.000000020 -0.000000019 0.000000426 -0.000000057 -0.000000202 0.000000211 0.000000012 -0.000000023 0.000000282 -0.000000203 -0.000000030 -0.000000060 0.000000121 -0.000000044 -0.000000256 0.000000006 0.000000130 0.000000053 0.000000042 0.000000107 -0.000000203 -0.000000039 -0.000000145 -0.000000171 0.000000005 0.000000017 -0.000000103 -0.000000094 -0.000000101 -0.000000339 0.000000051 0.000000123 -0.000000306 0.000000068 0.000000180 0.000000038 0.000000014 -0.000000003 0.000000125 0.000000036 0.000000114 -0.000000056 -0.000000067 -0.000000126 -0.000000074 120.107 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;18;5;8;9;10;11;12;16;17;19;20;21;22;23;24/rA:24nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:.4658,-.2508,-.0669;1.2807,-1.3118,-.0683;.9277,1.0351,-.1445;2.7728,-1.034,-.1837;.9227,-2.3486,-.0753;2.1843,1.4485,-.0068;3.1865,.3476,.3512;3.3512,-1.8164,.3314;3.0442,-1.112,-1.2554;2.5194,2.4892,-.0575;3.2689,.3104,1.4552;4.1904,.6035,-.0213;-1.4481,-.5505,.0581;-3.3341,-.8496,.1514;-1.9869,.8426,-.3126;-1.2901,-1.3369,-.6828;-1.2993,-.7927,1.1132;-3.4395,.6554,.1409;-3.6114,-1.4117,1.0498;-3.6227,-1.3625,-.7733;-1.8992,.9906,-1.3996;-1.4196,1.6527,.1744;-4.2065,1.0771,-.5255;-3.6042,1.0613,1.15;