AMS 2021.101 r94406 2021-05-14 2025-08-01T12:19:39.000 SINGLE POINT DFT PBEc PBEx PBEc PBEx QZ QZ 161.979656 AuxInfo=1/0/N:2;3;4;5;1/rA:5nTcO1O1O1O1/rB:s1;s1;s1;s1;/rC:.0255,13.5241,8.8617;-.0157,13.7825,7.1496;-1.5824,13.552,9.5059;.7355,11.9618,9.0961;.9889,14.7319,9.6175;/R:/0/N:2,3,4,5,1/E:(1,2,3,4)/CRV:1.1,2.1,3.1,4.1,5.4 Unrestricted Restricted 0.00000 1.0E-08 1000 conjugate-gradient 78.39000 1.93000 1 3 376.28153975 581.34439079 Water Technetium QZ Oxygen QZ DFT PW92 == Not Default == UNrestricted Restricted Point Charge Nuclei Frozen Orbital(s) Task SinglePoint System Atoms Tc 0.02549392419108846 13.52404599983708 8.861681696537737 adf.R=1.967 O -0.01570776463064709 13.78243318532434 7.149585565113 adf.R=1.72 O -1.582379328642836 13.55196461875601 9.505858045755321 adf.R=1.72 O 0.7355421704261675 11.96177836283304 9.096052475976936 adf.R=1.72 O 0.9889208132600297 14.73182528573496 9.617414546718356 adf.R=1.72 End Charge -1 BondOrders 1 2 1.0 1 3 1.0 1 4 1.0 1 5 1.0 End End Engine ADF Basis Type QZ4P Core Small End SpinPolarization 0.0 XC GGA PBE End Unrestricted Yes Solvation Surf Delley Solv name=Water cav0=0.0 cav1=0.0067639 Charged method=CONJ C-Mat POT SCF VAR ALL CSMRSP End NumericalQuality Excellent EndEngine NOSYM -1 0 161.979656 AuxInfo=1/0/N:2;3;4;5;1/rA:5nTcO1O1O1O1/rB:s1;s1;s1;s1;/rC:.0255,13.5241,8.8617;-.0157,13.7825,7.1496;-1.5824,13.552,9.5059;.7355,11.9618,9.0961;.9889,14.7319,9.6175;/R:/0/N:2,3,4,5,1/E:(1,2,3,4)/CRV:1.1,2.1,3.1,4.1,5.4 72.62853900 2.09213000 87.71191001 1 2 3 4 5 Tc O O O O 3.166743 -1.038283 -1.045816 -1.038624 -1.044020 2.323461 -0.823748 -0.842689 -0.824612 -0.832412 12.986503 -3.423767 -3.552803 -3.437522 -3.572411 1 2 3 4 5 Tc O O O O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -29.585909 39.020468 -13.535963 -36.776059 -2.367473 0.000000 -43.244942 1 2 3 4 5 Tc O O O O 3.13919993 -1.03790576 -1.03302439 -1.03775161 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A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B -1.58922155 -43.244942 -1 0.00000002049172 0.00000051287850 0.00000021350598 1 2 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A 51.03 22.12 20.57 3.69 1.21 1.17 2 2 2 2 2 2 S S S D:x2-y2 D:xz D:z2 -23.958 -23.958 -23.958 -6.667 -6.667 -6.667 2.00 2.00 2.00 1.00 1.00 1.00 3 4 2 1 1 1 O O O Tc Tc Tc -10.388 1.00 27 A 13.72 12.78 10.69 10.60 10.25 7.28 6.07 4.04 3.69 3.13 3.07 2.60 2.28 1.75 1.40 1.18 1 1 1 2 2 2 2 1 1 2 1 1 1 1 2 4 P:x P:x P:y D:xz D:xy D:yz D:x2-y2 P:x P:x S P:y P:z P:y P:y S P:x -9.027 -9.027 -9.027 -6.667 -6.667 -6.667 -6.667 -9.027 -9.027 -23.958 -9.027 -9.027 -9.027 -9.027 -23.958 -1.381 1.33 1.33 1.33 1.00 1.00 1.00 1.00 1.33 1.33 2.00 1.33 1.33 1.33 1.33 2.00 0.00 5 3 5 1 1 1 1 2 4 5 4 5 2 3 3 1 O O O Tc Tc Tc Tc O O O O O O O O Tc -10.338 1.00 28 A 19.79 15.83 12.92 9.32 5.85 5.82 5.04 3.77 3.02 2.80 2.78 2.64 1.80 1.28 1.16 1.06 2 1 1 2 1 1 2 1 1 2 1 1 2 1 3 1 D:z2 P:y P:z D:x2-y2 P:x P:y D:xy P:y P:z S P:z P:y S P:x D:z2 P:x -6.667 -9.027 -9.027 -6.667 -9.027 -9.027 -6.667 -9.027 -9.027 -23.958 -9.027 -9.027 -23.958 -9.027 2.409 -9.027 1.00 1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.33 2.00 1.33 1.33 2.00 1.33 0.00 1.33 1 4 2 1 4 5 1 2 4 4 5 3 2 5 1 3 Tc O O Tc O O Tc O O O O O O O Tc O -10.336 1.00 29 A 14.11 12.36 12.33 10.53 10.05 8.08 7.63 3.88 3.31 2.78 2.12 1.82 1.75 1.45 1.12 2 1 2 1 1 2 1 1 1 1 1 1 2 2 4 D:z2 P:z D:x2-y2 P:z P:z D:xy P:x P:y P:y P:y P:x P:x S S P:z -6.667 -9.027 -6.667 -9.027 -9.027 -6.667 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -23.958 -23.958 -1.381 1.00 1.33 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 2.00 2.00 0.00 1 2 1 3 5 1 3 5 3 4 5 4 3 2 1 Tc O Tc O O Tc O O O O O O O O Tc -10.225 1.00 30 A 31.07 16.28 12.39 10.27 5.58 4.62 4.52 4.03 2.12 1.64 1.63 1.42 2 1 1 2 1 1 1 1 2 1 1 1 D:yz P:z P:y D:xz P:x P:y P:x P:x D:xy P:z P:z P:z -6.667 -9.027 -9.027 -6.667 -9.027 -9.027 -9.027 -9.027 -6.667 -9.027 -9.027 -9.027 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1 4 2 1 5 3 3 2 1 2 5 3 Tc O O Tc O O O O Tc O O O -10.179 1.00 31 A 19.01 12.50 10.95 10.12 8.59 7.96 6.89 5.77 5.04 4.34 3.24 1.46 1.18 2 2 1 2 1 1 1 1 1 1 2 1 1 D:xz D:xy P:x D:x2-y2 P:x P:z P:y P:z P:y P:y D:yz P:y P:x -6.667 -6.667 -9.027 -6.667 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -6.667 -9.027 -9.027 1.00 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1 1 2 1 4 3 3 5 5 4 1 2 3 Tc Tc O Tc O O O O O O Tc O O -8.301 1.00 32 A 24.06 20.14 20.07 11.29 7.05 4.45 3.93 -3.49 3.08 1.74 1.28 1 1 1 1 1 1 1 5 1 7 6 P:z P:y P:x P:y P:x P:z P:x S P:z S S -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -5.041 -9.027 5.218 0.330 1.33 1.33 1.33 1.33 1.33 1.33 1.33 2.00 1.33 0.00 0.00 2 4 3 5 5 5 4 1 3 1 1 O O O O O O O Tc O Tc Tc -7.446 1.00 33 A 16.98 14.64 13.23 12.30 12.29 11.14 5.34 3.89 3.05 2.23 1.81 1.36 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:y P:y P:y P:z P:x P:y P:x P:x P:x -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 2 5 3 4 5 3 4 4 2 3 5 2 O O O O O O O O O O O O -7.440 1.00 34 A 20.22 19.80 13.55 12.87 8.57 6.95 6.89 3.90 2.67 1.61 1.36 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:z P:x P:y P:y P:z P:z P:y P:x P:y -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 3 5 4 2 4 2 5 2 3 4 5 O O O O O O O O O O O -7.420 1.00 35 A 19.71 14.05 12.88 12.27 11.62 10.38 5.55 4.88 4.86 1 1 1 1 1 1 1 1 1 P:x P:y P:z P:y P:y P:x P:z P:z P:x -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 4 2 3 3 5 2 5 4 5 O O O O O O O O O -6.816 1.00 36 A 26.29 22.68 15.56 10.04 6.88 6.61 4.79 3.68 2.13 1 1 1 1 1 1 1 1 1 P:y P:x P:x P:z P:z P:x P:y P:y P:x -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 3 5 4 3 5 2 5 4 3 O O O O O O O O O -6.813 1.00 37 A 20.18 17.62 14.18 13.26 11.79 9.73 4.03 3.96 2.10 2.07 1 1 1 1 1 1 1 1 1 1 P:x P:z P:x P:z P:y P:y P:y P:y P:z P:x -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 2 5 4 3 2 5 3 4 4 3 O O O O O O O O O O -6.757 1.00 38 A 36.55 26.13 11.93 8.70 7.49 2.49 2.20 1.98 1.28 1 1 1 1 1 1 1 1 1 P:z P:y P:x P:z P:y P:z P:y P:x P:x -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 4 2 2 3 3 5 5 4 3 O O O O O O O O O -2.830 0.00 39 A 20.05 12.73 11.23 9.87 9.74 6.30 6.28 5.54 5.45 3.48 2.17 2.08 1.16 2 2 2 1 1 1 1 1 1 2 1 1 3 D:xz D:x2-y2 D:xy P:x P:x P:z P:z P:y P:y D:yz P:y P:y D:xz -6.667 -6.667 -6.667 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -6.667 -9.027 -9.027 2.409 1.00 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.00 1 1 1 2 4 5 3 3 5 1 4 2 1 Tc Tc Tc O O O O O O Tc O O Tc -2.795 0.00 40 A 30.30 12.83 10.42 7.95 7.26 6.25 4.49 3.88 3.28 2.39 2.39 2.15 2.03 1.02 2 1 1 2 1 1 2 1 1 2 1 2 3 1 D:yz P:z P:y D:xz P:x P:y D:xy P:z P:z D:z2 P:x D:x2-y2 D:yz P:x -6.667 -9.027 -9.027 -6.667 -9.027 -9.027 -6.667 -9.027 -9.027 -6.667 -9.027 -6.667 2.409 -9.027 1.00 1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.00 0.00 1.33 1 4 2 1 5 3 1 3 5 1 2 1 1 3 Tc O O Tc O O Tc O O Tc O Tc Tc O -0.915 0.00 41 A 18.60 13.66 10.45 9.46 7.21 7.07 6.89 5.83 5.16 4.84 -3.11 -3.09 2.75 2.41 2.21 2.19 1.62 1.13 2 2 2 1 1 2 1 1 1 1 3 3 1 2 5 1 1 2 D:x2-y2 D:xy D:z2 P:z P:x D:yz P:y P:z P:z P:y S S P:x D:xz S P:y P:z P:x -6.667 -6.667 -6.667 -9.027 -9.027 -6.667 -9.027 -9.027 -9.027 -9.027 0.432 0.432 -9.027 -6.667 -5.041 -9.027 -9.027 5.456 1.00 1.00 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.00 2.00 1.33 1.33 0.00 1 1 1 2 3 1 4 3 5 5 4 2 4 1 1 3 4 3 Tc Tc Tc O O Tc O O O O O O O Tc Tc O O O -0.782 0.00 42 A 39.71 15.01 12.60 7.49 5.85 3.20 2.98 2.85 2.69 2.53 2.43 2.35 -2.17 -1.98 1.55 1.53 1.30 -1.28 1.07 2 1 1 2 2 1 1 1 1 1 1 1 3 3 2 2 2 4 2 D:z2 P:z P:y D:xy D:x2-y2 P:z P:y P:z P:z P:x P:y P:y S S S S P:z D:z2 P:y -6.667 -9.027 -9.027 -6.667 -6.667 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 0.432 0.432 -23.958 -23.958 5.456 14.085 5.456 1.00 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.00 2.00 2.00 0.00 0.00 0.00 1 2 4 1 1 4 2 5 3 4 5 3 2 4 2 4 2 1 4 Tc O O Tc Tc O O O O O O O O O O O O Tc O -0.754 0.00 43 A 19.57 14.48 14.22 12.02 11.23 8.17 7.81 4.21 3.83 -3.11 -2.39 2.04 1.96 1.84 1.45 1.39 1.37 2 1 2 2 1 1 2 1 1 3 3 1 2 1 1 2 1 D:xz P:x D:xy D:x2-y2 P:x P:y D:yz P:x P:x S S P:y S P:z P:y S P:y -6.667 -9.027 -6.667 -6.667 -9.027 -9.027 -6.667 -9.027 -9.027 0.432 0.432 -9.027 -23.958 -9.027 -9.027 -23.958 -9.027 1.00 1.33 1.00 1.00 1.33 1.33 1.00 1.33 1.33 0.00 0.00 1.33 2.00 1.33 1.33 2.00 1.33 1 3 1 1 5 5 1 2 4 3 5 4 5 5 3 3 2 Tc O Tc Tc O O Tc O O O O O O O O O O -0.454 0.00 44 A 102.83 67.48 -23.36 -21.34 -19.39 -19.25 2.49 2.47 2.27 2.04 2.02 5 6 3 3 3 3 7 4 4 4 4 S S S S S S S S S S S -5.041 0.330 0.432 0.432 0.432 0.432 5.218 12.830 12.830 12.830 12.830 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 5 3 4 2 1 5 3 4 2 Tc Tc O O O O Tc O O O O 1.157 0.00 45 A 131.14 110.63 -89.82 -87.51 19.06 -8.94 7.73 7.59 6.48 6.40 -4.14 -4.09 2.65 2.58 1.74 -1.68 1.68 -1.22 1.11 1.10 -1.08 4 4 3 3 4 3 2 5 2 5 4 4 2 2 2 3 2 3 2 5 4 P:z P:y S S P:x D:z2 P:z P:z P:y P:y S S S S P:y D:xy P:z D:x2-y2 P:x P:x D:z2 -1.381 -1.381 0.432 0.432 -1.381 2.409 5.456 4.716 5.456 4.716 12.830 12.830 -23.958 -23.958 5.456 2.409 5.456 2.409 5.456 4.716 14.085 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 2 4 1 1 2 1 4 1 2 4 2 4 2 1 4 1 4 1 1 Tc Tc O O Tc Tc O Tc O Tc O O O O O Tc O Tc O Tc Tc 1.171 0.00 46 A 214.99 -93.06 -86.10 47.26 12.12 10.98 8.44 -4.33 -4.22 -4.07 -3.28 2.66 2.61 2.47 2.35 -2.18 -1.40 -1.19 -1.19 4 3 3 4 5 2 2 3 4 4 3 5 2 2 2 3 2 2 3 P:x S S P:y P:x P:x P:x D:xz S S D:x2-y2 P:y P:y S S D:xy P:z P:z D:yz -1.381 0.432 0.432 -1.381 4.716 5.456 5.456 2.409 12.830 12.830 2.409 4.716 5.456 -23.958 -23.958 2.409 5.456 5.456 2.409 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 1 5 3 1 1 3 5 1 5 3 1 1 5 5 3 1 3 5 1 Tc O O Tc Tc O O Tc O O Tc Tc O O O Tc O O Tc 1.177 0.00 47 A 127.70 103.66 -46.32 -44.31 -42.90 -40.52 26.07 7.14 7.06 5.82 5.79 4.57 -4.38 -3.72 3.59 3.05 -2.84 -2.39 -2.33 -2.31 -2.14 -2.04 -1.97 -1.58 -1.50 1.46 1.40 1.31 1.25 1.22 1.17 4 4 3 3 3 3 4 5 2 2 5 2 2 3 2 2 3 4 2 4 2 3 3 4 4 5 2 2 2 2 2 P:z P:y S S S S P:x P:z P:z P:y P:y P:y P:x D:xy P:z P:z D:x2-y2 S P:z S P:y D:z2 D:yz S S P:x P:x S S S S -1.381 -1.381 0.432 0.432 0.432 0.432 -1.381 4.716 5.456 5.456 4.716 5.456 5.456 2.409 5.456 5.456 2.409 12.830 5.456 12.830 5.456 2.409 2.409 12.830 12.830 4.716 5.456 -23.958 -23.958 -23.958 -23.958 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 1 1 4 2 5 3 1 1 2 4 1 5 5 1 5 3 1 5 4 3 2 1 1 4 2 1 4 4 2 5 3 Tc Tc O O O O Tc Tc O O Tc O O Tc O O Tc O O O O Tc Tc O O Tc O O O O O 1 5 2 .1 3 6 S 0.330 0.00 1 Tc 2.531 0.00 49 A 185.68 -66.19 -55.97 -38.23 35.81 -29.42 25.84 22.80 13.24 11.94 -10.59 -8.59 -8.30 7.52 6.98 -5.99 -5.78 4.97 4.39 -4.05 -3.72 -3.07 3.02 2.96 2.80 2.65 1.86 -1.77 1.45 1.23 3 3 2 3 4 4 3 3 3 4 3 2 2 1 4 2 4 4 4 2 5 2 3 2 2 4 4 2 2 1 S D:x2-y2 P:x D:xz S P:x S S S D:x2-y2 D:z2 P:z P:y P:x D:xz P:z P:z S S S S P:y P:x P:x P:x S D:z2 P:z P:x P:z 0.432 2.409 5.456 2.409 12.830 -1.381 0.432 0.432 0.432 14.085 2.409 5.456 5.456 -9.027 14.085 5.456 -1.381 12.830 12.830 -23.958 68.278 5.456 45.155 5.456 5.456 12.830 14.085 5.456 5.456 -9.027 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 3 1 3 1 3 1 4 2 5 1 1 3 4 3 1 2 1 4 2 3 3 5 3 5 4 5 1 5 2 3 O Tc O Tc O Tc O O O Tc Tc O O O Tc O Tc O O O O O O O O O Tc O O O 2.536 0.00 50 A 129.21 126.68 -92.73 -43.21 -36.39 25.08 24.60 -19.39 -17.41 16.37 -16.22 -12.45 -7.92 6.07 5.20 3.44 -2.64 -2.59 -2.52 -2.46 2.35 -2.27 2.19 2.11 1.96 1.25 1.19 1.14 1.12 1.08 1.04 3 3 3 2 2 4 4 3 4 4 4 3 2 1 1 4 5 5 2 2 3 4 4 2 3 1 2 1 2 2 1 S S D:z2 P:z P:y S S D:xy P:z D:z2 P:y D:x2-y2 P:x P:z P:y D:xy S S S S P:z P:x D:x2-y2 D:z2 P:y D:z2 P:y D:z2 P:z P:z P:x 0.432 0.432 2.409 5.456 5.456 12.830 12.830 2.409 -1.381 14.085 -1.381 2.409 5.456 -9.027 -9.027 14.085 68.278 68.278 -23.958 -23.958 45.155 -1.381 14.085 -6.667 45.155 14.319 5.456 14.319 5.456 5.456 -9.027 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.33 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 4 2 1 2 4 4 2 1 1 1 1 1 4 2 4 1 4 2 4 2 2 1 1 1 4 2 5 4 3 4 4 O O Tc O O O O Tc Tc Tc Tc Tc O O O Tc O O O O O Tc Tc Tc O O O O O O O 2.541 0.00 51 A 168.59 -55.43 40.90 34.95 -33.90 32.73 -28.90 -22.16 -20.37 -13.08 -11.84 10.22 -9.91 -9.82 -9.22 8.00 6.83 6.20 -4.41 4.18 -4.12 -3.55 -3.50 -3.44 2.44 2.12 1.80 1.77 1.73 1.52 1.35 1.27 3 3 3 3 3 4 2 2 4 4 3 4 2 2 3 4 4 4 2 1 4 2 2 5 1 4 4 1 1 3 1 3 S D:xy S S D:yz S P:y P:x P:y P:z D:z2 D:xy P:z P:z D:xz S S D:yz P:y P:y P:x P:x S S P:x D:z2 D:xz P:z P:z P:y P:y P:x 0.432 2.409 0.432 0.432 2.409 12.830 5.456 5.456 -1.381 -1.381 2.409 14.085 5.456 5.456 2.409 12.830 12.830 14.085 5.456 -9.027 -1.381 5.456 -23.958 68.278 -9.027 14.085 14.085 -9.027 -9.027 45.155 -9.027 45.155 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 2.00 0.00 1.33 0.00 0.00 1.33 1.33 0.00 1.33 0.00 5 1 2 4 1 5 5 5 1 1 1 1 2 5 1 2 4 1 4 5 1 4 5 5 5 1 1 2 5 5 4 5 O Tc O O Tc O O O Tc Tc Tc Tc O O Tc O O Tc O O Tc O O O O Tc Tc O O O O O -22.667 1.00 23 A 38.29 23.69 20.20 19.98 -13.34 1.66 1.65 1.61 1.56 2 2 2 2 5 3 3 3 3 S S S S S S S S S -23.958 -23.958 -23.958 -23.958 -5.041 0.432 0.432 0.432 0.432 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 5 3 4 2 1 2 4 5 3 O O O O Tc O O O O -22.330 1.00 24 A 56.79 21.41 8.74 7.53 2.99 1.89 1.73 2 2 2 2 2 2 2 S S S S D:xy D:xz D:yz -23.958 -23.958 -23.958 -23.958 -6.667 -6.667 -6.667 2.00 2.00 2.00 2.00 1.00 1.00 1.00 5 3 2 4 1 1 1 O O O O Tc Tc Tc -22.319 1.00 25 A 47.13 46.56 5.84 1.16 2 2 2 2 S S D:z2 D:xy -23.958 -23.958 -6.667 -6.667 2.00 2.00 1.00 1.00 2 4 1 1 O O Tc Tc -22.268 1.00 26 A 51.03 22.12 20.57 3.69 1.21 1.17 2 2 2 2 2 2 S S S D:x2-y2 D:xz D:z2 -23.958 -23.958 -23.958 -6.667 -6.667 -6.667 2.00 2.00 2.00 1.00 1.00 1.00 3 4 2 1 1 1 O O O Tc Tc Tc -10.388 1.00 27 A 13.72 12.78 10.69 10.60 10.25 7.28 6.07 4.04 3.69 3.13 3.07 2.60 2.28 1.75 1.40 1.18 1 1 1 2 2 2 2 1 1 2 1 1 1 1 2 4 P:x P:x P:y D:xz D:xy D:yz D:x2-y2 P:x P:x S P:y P:z P:y P:y S P:x -9.027 -9.027 -9.027 -6.667 -6.667 -6.667 -6.667 -9.027 -9.027 -23.958 -9.027 -9.027 -9.027 -9.027 -23.958 -1.381 1.33 1.33 1.33 1.00 1.00 1.00 1.00 1.33 1.33 2.00 1.33 1.33 1.33 1.33 2.00 0.00 5 3 5 1 1 1 1 2 4 5 4 5 2 3 3 1 O O O Tc Tc Tc Tc O O O O O O O O Tc -10.338 1.00 28 A 19.79 15.83 12.92 9.32 5.85 5.82 5.04 3.77 3.02 2.80 2.78 2.64 1.80 1.28 1.16 1.06 2 1 1 2 1 1 2 1 1 2 1 1 2 1 3 1 D:z2 P:y P:z D:x2-y2 P:x P:y D:xy P:y P:z S P:z P:y S P:x D:z2 P:x -6.667 -9.027 -9.027 -6.667 -9.027 -9.027 -6.667 -9.027 -9.027 -23.958 -9.027 -9.027 -23.958 -9.027 2.409 -9.027 1.00 1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.33 2.00 1.33 1.33 2.00 1.33 0.00 1.33 1 4 2 1 4 5 1 2 4 4 5 3 2 5 1 3 Tc O O Tc O O Tc O O O O O O O Tc O -10.336 1.00 29 A 14.11 12.36 12.33 10.53 10.05 8.08 7.63 3.88 3.31 2.78 2.12 1.82 1.75 1.45 1.12 2 1 2 1 1 2 1 1 1 1 1 1 2 2 4 D:z2 P:z D:x2-y2 P:z P:z D:xy P:x P:y P:y P:y P:x P:x S S P:z -6.667 -9.027 -6.667 -9.027 -9.027 -6.667 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -23.958 -23.958 -1.381 1.00 1.33 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 2.00 2.00 0.00 1 2 1 3 5 1 3 5 3 4 5 4 3 2 1 Tc O Tc O O Tc O O O O O O O O Tc -10.225 1.00 30 A 31.07 16.28 12.39 10.27 5.58 4.62 4.52 4.03 2.12 1.64 1.63 1.42 2 1 1 2 1 1 1 1 2 1 1 1 D:yz P:z P:y D:xz P:x P:y P:x P:x D:xy P:z P:z P:z -6.667 -9.027 -9.027 -6.667 -9.027 -9.027 -9.027 -9.027 -6.667 -9.027 -9.027 -9.027 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1 4 2 1 5 3 3 2 1 2 5 3 Tc O O Tc O O O O Tc O O O -10.179 1.00 31 A 19.01 12.50 10.95 10.12 8.59 7.96 6.89 5.77 5.04 4.34 3.24 1.46 1.18 2 2 1 2 1 1 1 1 1 1 2 1 1 D:xz D:xy P:x D:x2-y2 P:x P:z P:y P:z P:y P:y D:yz P:y P:x -6.667 -6.667 -9.027 -6.667 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -6.667 -9.027 -9.027 1.00 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1 1 2 1 4 3 3 5 5 4 1 2 3 Tc Tc O Tc O O O O O O Tc O O -8.301 1.00 32 A 24.06 20.14 20.07 11.29 7.05 4.45 3.93 -3.49 3.08 1.74 1.28 1 1 1 1 1 1 1 5 1 7 6 P:z P:y P:x P:y P:x P:z P:x S P:z S S -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -5.041 -9.027 5.218 0.330 1.33 1.33 1.33 1.33 1.33 1.33 1.33 2.00 1.33 0.00 0.00 2 4 3 5 5 5 4 1 3 1 1 O O O O O O O Tc O Tc Tc -7.446 1.00 33 A 16.98 14.64 13.23 12.30 12.29 11.14 5.34 3.89 3.05 2.23 1.81 1.36 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:y P:y P:y P:z P:x P:y P:x P:x P:x -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 2 5 3 4 5 3 4 4 2 3 5 2 O O O O O O O O O O O O -7.440 1.00 34 A 20.22 19.80 13.55 12.87 8.57 6.95 6.89 3.90 2.67 1.61 1.36 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:z P:x P:y P:y P:z P:z P:y P:x P:y -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 3 5 4 2 4 2 5 2 3 4 5 O O O O O O O O O O O -7.420 1.00 35 A 19.71 14.05 12.88 12.27 11.62 10.38 5.55 4.88 4.86 1 1 1 1 1 1 1 1 1 P:x P:y P:z P:y P:y P:x P:z P:z P:x -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 4 2 3 3 5 2 5 4 5 O O O O O O O O O -6.816 1.00 36 A 26.29 22.68 15.56 10.04 6.88 6.61 4.79 3.68 2.13 1 1 1 1 1 1 1 1 1 P:y P:x P:x P:z P:z P:x P:y P:y P:x -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 3 5 4 3 5 2 5 4 3 O O O O O O O O O -6.813 1.00 37 A 20.18 17.62 14.18 13.26 11.79 9.73 4.03 3.96 2.10 2.07 1 1 1 1 1 1 1 1 1 1 P:x P:z P:x P:z P:y P:y P:y P:y P:z P:x -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 2 5 4 3 2 5 3 4 4 3 O O O O O O O O O O -6.757 1.00 38 A 36.55 26.13 11.93 8.70 7.49 2.49 2.20 1.98 1.28 1 1 1 1 1 1 1 1 1 P:z P:y P:x P:z P:y P:z P:y P:x P:x -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 4 2 2 3 3 5 5 4 3 O O O O O O O O O -2.830 0.00 39 A 20.05 12.73 11.23 9.87 9.74 6.30 6.28 5.54 5.45 3.48 2.17 2.08 1.16 2 2 2 1 1 1 1 1 1 2 1 1 3 D:xz D:x2-y2 D:xy P:x P:x P:z P:z P:y P:y D:yz P:y P:y D:xz -6.667 -6.667 -6.667 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -6.667 -9.027 -9.027 2.409 1.00 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.00 1 1 1 2 4 5 3 3 5 1 4 2 1 Tc Tc Tc O O O O O O Tc O O Tc -2.795 0.00 40 A 30.30 12.83 10.42 7.95 7.26 6.25 4.49 3.88 3.28 2.39 2.39 2.15 2.03 1.02 2 1 1 2 1 1 2 1 1 2 1 2 3 1 D:yz P:z P:y D:xz P:x P:y D:xy P:z P:z D:z2 P:x D:x2-y2 D:yz P:x -6.667 -9.027 -9.027 -6.667 -9.027 -9.027 -6.667 -9.027 -9.027 -6.667 -9.027 -6.667 2.409 -9.027 1.00 1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.00 0.00 1.33 1 4 2 1 5 3 1 3 5 1 2 1 1 3 Tc O O Tc O O Tc O O Tc O Tc Tc O -0.915 0.00 41 A 18.60 13.66 10.45 9.46 7.21 7.07 6.89 5.83 5.16 4.84 -3.11 -3.09 2.75 2.41 2.21 2.19 1.62 1.13 2 2 2 1 1 2 1 1 1 1 3 3 1 2 5 1 1 2 D:x2-y2 D:xy D:z2 P:z P:x D:yz P:y P:z P:z P:y S S P:x D:xz S P:y P:z P:x -6.667 -6.667 -6.667 -9.027 -9.027 -6.667 -9.027 -9.027 -9.027 -9.027 0.432 0.432 -9.027 -6.667 -5.041 -9.027 -9.027 5.456 1.00 1.00 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.00 2.00 1.33 1.33 0.00 1 1 1 2 3 1 4 3 5 5 4 2 4 1 1 3 4 3 Tc Tc Tc O O Tc O O O O O O O Tc Tc O O O -0.782 0.00 42 A 39.71 15.01 12.60 7.49 5.85 3.20 2.98 2.85 2.69 2.53 2.43 2.35 -2.17 -1.98 1.55 1.53 1.30 -1.28 1.07 2 1 1 2 2 1 1 1 1 1 1 1 3 3 2 2 2 4 2 D:z2 P:z P:y D:xy D:x2-y2 P:z P:y P:z P:z P:x P:y P:y S S S S P:z D:z2 P:y -6.667 -9.027 -9.027 -6.667 -6.667 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 -9.027 0.432 0.432 -23.958 -23.958 5.456 14.085 5.456 1.00 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.00 2.00 2.00 0.00 0.00 0.00 1 2 4 1 1 4 2 5 3 4 5 3 2 4 2 4 2 1 4 Tc O O Tc Tc O O O O O O O O O O O O Tc O -0.754 0.00 43 A 19.57 14.48 14.22 12.02 11.23 8.17 7.81 4.21 3.83 -3.11 -2.39 2.04 1.96 1.84 1.45 1.39 1.37 2 1 2 2 1 1 2 1 1 3 3 1 2 1 1 2 1 D:xz P:x D:xy D:x2-y2 P:x P:y D:yz P:x P:x S S P:y S P:z P:y S P:y -6.667 -9.027 -6.667 -6.667 -9.027 -9.027 -6.667 -9.027 -9.027 0.432 0.432 -9.027 -23.958 -9.027 -9.027 -23.958 -9.027 1.00 1.33 1.00 1.00 1.33 1.33 1.00 1.33 1.33 0.00 0.00 1.33 2.00 1.33 1.33 2.00 1.33 1 3 1 1 5 5 1 2 4 3 5 4 5 5 3 3 2 Tc O Tc Tc O O Tc O O O O O O O O O O -0.454 0.00 44 A 102.83 67.48 -23.36 -21.34 -19.39 -19.25 2.49 2.47 2.27 2.04 2.02 5 6 3 3 3 3 7 4 4 4 4 S S S S S S S S S S S -5.041 0.330 0.432 0.432 0.432 0.432 5.218 12.830 12.830 12.830 12.830 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 5 3 4 2 1 5 3 4 2 Tc Tc O O O O Tc O O O O 1.157 0.00 45 A 131.14 110.63 -89.82 -87.51 19.06 -8.94 7.73 7.59 6.48 6.40 -4.14 -4.09 2.65 2.58 1.74 -1.68 1.68 -1.22 1.11 1.10 -1.08 4 4 3 3 4 3 2 5 2 5 4 4 2 2 2 3 2 3 2 5 4 P:z P:y S S P:x D:z2 P:z P:z P:y P:y S S S S P:y D:xy P:z D:x2-y2 P:x P:x D:z2 -1.381 -1.381 0.432 0.432 -1.381 2.409 5.456 4.716 5.456 4.716 12.830 12.830 -23.958 -23.958 5.456 2.409 5.456 2.409 5.456 4.716 14.085 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 2 4 1 1 2 1 4 1 2 4 2 4 2 1 4 1 4 1 1 Tc Tc O O Tc Tc O Tc O Tc O O O O O Tc O Tc O Tc Tc 1.171 0.00 46 A 214.99 -93.06 -86.10 47.26 12.12 10.98 8.44 -4.33 -4.22 -4.07 -3.28 2.66 2.61 2.47 2.35 -2.18 -1.40 -1.19 -1.19 4 3 3 4 5 2 2 3 4 4 3 5 2 2 2 3 2 2 3 P:x S S P:y P:x P:x P:x D:xz S S D:x2-y2 P:y P:y S S D:xy P:z P:z D:yz -1.381 0.432 0.432 -1.381 4.716 5.456 5.456 2.409 12.830 12.830 2.409 4.716 5.456 -23.958 -23.958 2.409 5.456 5.456 2.409 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 1 5 3 1 1 3 5 1 5 3 1 1 5 5 3 1 3 5 1 Tc O O Tc Tc O O Tc O O Tc Tc O O O Tc O O Tc 1.177 0.00 47 A 127.70 103.66 -46.32 -44.31 -42.90 -40.52 26.07 7.14 7.06 5.82 5.79 4.57 -4.38 -3.72 3.59 3.05 -2.84 -2.39 -2.33 -2.31 -2.14 -2.04 -1.97 -1.58 -1.50 1.46 1.40 1.31 1.25 1.22 1.17 4 4 3 3 3 3 4 5 2 2 5 2 2 3 2 2 3 4 2 4 2 3 3 4 4 5 2 2 2 2 2 P:z P:y S S S S P:x P:z P:z P:y P:y P:y P:x D:xy P:z P:z D:x2-y2 S P:z S P:y D:z2 D:yz S S P:x P:x S S S S -1.381 -1.381 0.432 0.432 0.432 0.432 -1.381 4.716 5.456 5.456 4.716 5.456 5.456 2.409 5.456 5.456 2.409 12.830 5.456 12.830 5.456 2.409 2.409 12.830 12.830 4.716 5.456 -23.958 -23.958 -23.958 -23.958 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 1 1 4 2 5 3 1 1 2 4 1 5 5 1 5 3 1 5 4 3 2 1 1 4 2 1 4 4 2 5 3 Tc Tc O O O O Tc Tc O O Tc O O Tc O O Tc O O O O Tc Tc O O Tc O O O O O 1 5 2 .1 3 6 S 0.330 0.00 1 Tc 2.531 0.00 49 A 185.68 -66.19 -55.97 -38.23 35.81 -29.42 25.84 22.80 13.24 11.94 -10.59 -8.59 -8.30 7.52 6.98 -5.99 -5.78 4.97 4.39 -4.05 -3.72 -3.07 3.02 2.96 2.80 2.65 1.86 -1.77 1.45 1.23 3 3 2 3 4 4 3 3 3 4 3 2 2 1 4 2 4 4 4 2 5 2 3 2 2 4 4 2 2 1 S D:x2-y2 P:x D:xz S P:x S S S D:x2-y2 D:z2 P:z P:y P:x D:xz P:z P:z S S S S P:y P:x P:x P:x S D:z2 P:z P:x P:z 0.432 2.409 5.456 2.409 12.830 -1.381 0.432 0.432 0.432 14.085 2.409 5.456 5.456 -9.027 14.085 5.456 -1.381 12.830 12.830 -23.958 68.278 5.456 45.155 5.456 5.456 12.830 14.085 5.456 5.456 -9.027 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 3 1 3 1 3 1 4 2 5 1 1 3 4 3 1 2 1 4 2 3 3 5 3 5 4 5 1 5 2 3 O Tc O Tc O Tc O O O Tc Tc O O O Tc O Tc O O O O O O O O O Tc O O O 2.536 0.00 50 A 129.21 126.68 -92.73 -43.21 -36.39 25.08 24.60 -19.39 -17.41 16.37 -16.22 -12.45 -7.92 6.07 5.20 3.44 -2.64 -2.59 -2.52 -2.46 2.35 -2.27 2.19 2.11 1.96 1.25 1.19 1.14 1.12 1.08 1.04 3 3 3 2 2 4 4 3 4 4 4 3 2 1 1 4 5 5 2 2 3 4 4 2 3 1 2 1 2 2 1 S S D:z2 P:z P:y S S D:xy P:z D:z2 P:y D:x2-y2 P:x P:z P:y D:xy S S S S P:z P:x D:x2-y2 D:z2 P:y D:z2 P:y D:z2 P:z P:z P:x 0.432 0.432 2.409 5.456 5.456 12.830 12.830 2.409 -1.381 14.085 -1.381 2.409 5.456 -9.027 -9.027 14.085 68.278 68.278 -23.958 -23.958 45.155 -1.381 14.085 -6.667 45.155 14.319 5.456 14.319 5.456 5.456 -9.027 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.33 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 4 2 1 2 4 4 2 1 1 1 1 1 4 2 4 1 4 2 4 2 2 1 1 1 4 2 5 4 3 4 4 O O Tc O O O O Tc Tc Tc Tc Tc O O O Tc O O O O O Tc Tc Tc O O O O O O O 2.541 0.00 51 A 168.59 -55.43 40.90 34.95 -33.90 32.73 -28.90 -22.16 -20.37 -13.08 -11.84 10.22 -9.91 -9.82 -9.22 8.00 6.83 6.20 -4.41 4.18 -4.12 -3.55 -3.50 -3.44 2.44 2.12 1.80 1.77 1.73 1.52 1.35 1.27 3 3 3 3 3 4 2 2 4 4 3 4 2 2 3 4 4 4 2 1 4 2 2 5 1 4 4 1 1 3 1 3 S D:xy S S D:yz S P:y P:x P:y P:z D:z2 D:xy P:z P:z D:xz S S D:yz P:y P:y P:x P:x S S P:x D:z2 D:xz P:z P:z P:y P:y P:x 0.432 2.409 0.432 0.432 2.409 12.830 5.456 5.456 -1.381 -1.381 2.409 14.085 5.456 5.456 2.409 12.830 12.830 14.085 5.456 -9.027 -1.381 5.456 -23.958 68.278 -9.027 14.085 14.085 -9.027 -9.027 45.155 -9.027 45.155 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 2.00 0.00 1.33 0.00 0.00 1.33 1.33 0.00 1.33 0.00 5 1 2 4 1 5 5 5 1 1 1 1 2 5 1 2 4 1 4 5 1 4 5 5 5 1 1 2 5 5 4 5 O Tc O O Tc O O O Tc Tc Tc Tc O O Tc O O Tc O O Tc O O O O Tc Tc O O O O O