20
Total energy= -2.56194437908883E+03 +- 6.60744684855142E-03 eV, Binding Energy= -0.060838 +- 0.0105627 eV
C 10.000000 10.000000 10.000000
H 10.760000 9.380000 10.490000
H 10.380000 11.010000 9.880000
H 9.760000 9.570000 9.020000
H 9.100000 10.020000 10.620000
O 10.110000 13.430000 9.080000
H 10.650000 13.270000 9.860000
H 10.010000 14.380000 9.040000
O 9.560000 9.770000 13.540000
H 9.430000 9.400000 14.420000
H 10.330000 9.320000 13.200000
O 9.310000 8.170000 6.930000
H 10.170000 7.790000 7.110000
H 9.150000 7.980000 6.010000
O 13.440000 8.610000 10.760000
H 13.390000 8.490000 9.810000
H 14.140000 8.040000 11.050000
O 11.840000 8.170000 12.870000
H 12.280000 8.160000 12.020000
H 11.480000 7.290000 12.970000
20
Total energy= -2.56203642275032E+03 +- 6.24932047253424E-03 eV, Binding Energy= -0.0662308 +- 0.0105507 eV
C 10.000000 10.000000 10.000000
H 9.530000 9.290000 10.700000
H 9.370000 10.100000 9.110000
H 10.100000 10.970000 10.490000
H 10.990000 9.620000 9.720000
O 9.160000 7.250000 8.070000
H 9.940000 7.590000 7.630000
H 8.810000 6.610000 7.460000
O 6.610000 11.070000 10.330000
H 6.640000 10.420000 9.640000
H 7.030000 11.840000 9.950000
O 6.840000 9.070000 8.420000
H 6.430000 9.090000 7.560000
H 7.570000 8.460000 8.330000
O 10.710000 7.140000 12.220000
H 11.540000 7.360000 11.780000
H 10.260000 6.570000 11.600000
O 10.200000 11.160000 6.490000
H 9.430000 11.090000 5.920000
H 10.050000 11.960000 6.990000
20
Total energy= -2.56203231672770E+03 +- 6.76429771114021E-03 eV, Binding Energy= -0.0471106 +- 0.0102975 eV
C 10.000000 10.000000 10.000000
H 11.080000 9.910000 9.860000
H 9.790000 10.820000 10.690000
H 9.520000 10.200000 9.040000
H 9.610000 9.060000 10.410000
O 11.310000 7.030000 9.460000
H 10.680000 7.250000 8.780000
H 12.090000 7.550000 9.260000
O 11.460000 7.680000 12.240000
H 11.360000 7.400000 11.330000
H 10.710000 8.250000 12.390000
O 9.560000 13.540000 9.740000
H 9.810000 13.150000 8.900000
H 9.960000 14.410000 9.730000
O 9.750000 7.530000 7.390000
H 9.990000 7.070000 6.590000
H 8.950000 7.090000 7.680000
O 10.120000 10.280000 6.370000
H 10.320000 9.490000 6.870000
H 10.480000 10.110000 5.500000
20
Total energy= -2.56178306350744E+03 +- 6.92792788031999E-03 eV, Binding Energy= -0.0645936 +- 0.0107779 eV
C 10.000000 10.000000 10.000000
H 10.260000 10.270000 11.029000
H 9.510000 10.850000 9.510000
H 10.910000 9.730000 9.460000
H 9.310000 9.150000 10.020000
O 9.990000 10.270000 13.549000
H 9.090000 10.380000 13.229000
H 10.120000 11.000000 14.149000
O 8.990000 6.894000 11.439000
H 9.060000 6.004000 11.779000
H 8.160000 7.224000 11.779000
O 13.500000 10.100000 10.790000
H 13.180000 10.060000 9.890000
H 13.280000 9.240000 11.159000
O 13.000000 9.640000 7.980000
H 13.620000 9.340000 7.320000
H 12.550000 10.380000 7.570000
O 6.460000 11.050000 10.190000
H 6.840000 11.760000 9.670000
H 6.170000 10.410000 9.530000
20
Total energy= -2.56192680934109E+03 +- 6.05137798319813E-03 eV, Binding Energy= 0.0111513 +- 0.0106886 eV
C 10.000000 10.000000 10.000000
H 10.800000 10.750000 9.930000
H 9.180000 10.290000 9.340000
H 10.390000 9.020000 9.690000
H 9.650000 9.940000 11.029000
O 11.150000 7.700000 7.940000
H 10.630000 8.180000 7.300000
H 11.860000 8.300000 8.180000
O 7.770000 11.510000 12.259000
H 7.000000 10.970000 12.119000
H 7.880000 12.000000 11.439000
O 8.460000 6.946000 8.980000
H 8.430000 6.136000 8.470000
H 9.360000 7.256000 8.900000
O 10.810000 13.500000 10.060000
H 11.050000 12.880000 9.370000
H 11.290000 13.190000 10.829000
O 6.510000 9.370000 9.070000
H 7.330000 8.900000 9.240000
H 6.640000 9.750000 8.200000
20
Total energy= -2.56173683796272E+03 +- 5.98836387968261E-03 eV, Binding Energy= 0.102832 +- 0.011336 eV
C 10.000000 10.000000 10.000000
H 10.100000 9.160000 10.700000
H 9.040000 9.930000 9.480000
H 10.050000 10.940000 10.550000
H 10.820000 9.960000 9.270000
O 11.890000 7.450000 10.610000
H 11.700000 7.250000 9.700000
H 12.650000 6.890000 10.820000
O 9.320000 7.780000 12.320000
H 8.520000 7.590000 11.830000
H 10.010000 7.780000 11.660000
O 7.030000 9.140000 8.160000
H 6.240000 9.010000 7.640000
H 7.010000 10.060000 8.400000
O 13.690000 9.760000 10.460000
H 12.950000 9.250000 10.790000
H 13.910000 9.350000 9.630000
O 10.460000 10.860000 6.340000
H 10.530000 10.790000 5.390000
H 11.370000 10.980000 6.640000
20
Total energy= -2.56202599113089E+03 +- 6.36785000818445E-03 eV, Binding Energy= 0.0034848 +- 0.0116081 eV
C 10.000000 10.000000 10.000000
H 10.130000 10.680000 10.840000
H 8.940000 9.880000 9.780000
H 10.510000 10.410000 9.120000
H 10.430000 9.020000 10.240000
O 7.850000 8.280000 11.910000
H 8.390000 7.980000 11.180000
H 8.400000 8.900000 12.380000
O 9.180000 6.670000 9.950000
H 10.040000 6.900000 10.300000
H 9.130000 7.160000 9.120000
O 9.710000 13.200000 8.770000
H 8.810000 12.890000 8.880000
H 9.990000 12.840000 7.930000
O 9.350000 10.350000 13.400000
H 10.250000 10.680000 13.310000
H 8.810000 11.130000 13.490000
O 11.454000 6.920000 11.220000
H 11.444000 6.940000 12.170000
H 11.914000 6.110000 11.000000
20
Total energy= -2.56214669328091E+03 +- 6.73342614347988E-03 eV, Binding Energy= -0.0237338 +- 0.0115594 eV
C 10.000000 10.000000 10.000000
H 10.640000 10.770000 9.550000
H 9.050000 9.950000 9.470000
H 10.510000 9.030000 9.940000
H 9.820000 10.250000 11.050000
O 8.810000 12.990000 9.880000
H 9.490000 12.910000 9.210000
H 8.150000 12.350000 9.610000
O 11.130000 10.300000 13.420000
H 10.240000 9.950000 13.380000
H 11.690000 9.520000 13.350000
O 13.270000 11.370000 9.060000
H 13.970000 11.760000 8.540000
H 12.470000 11.780000 8.730000
O 12.480000 12.160000 11.660000
H 12.690000 11.930000 10.760000
H 11.890000 11.460000 11.950000
O 11.230000 12.970000 8.110000
H 11.140000 13.020000 7.160000
H 11.430000 13.860000 8.380000
20
Total energy= -2.56183227871684E+03 +- 6.86441156423480E-03 eV, Binding Energy= -0.0152147 +- 0.011986 eV
C 10.000000 10.000000 10.000000
H 9.490000 9.830000 9.050000
H 10.870000 9.350000 10.070000
H 10.310000 11.050000 10.060000
H 9.310000 9.780000 10.820000
O 11.500000 7.092000 10.330000
H 12.130000 7.772000 10.080000
H 10.840000 7.122000 9.640000
O 8.650000 8.802000 6.950000
H 9.370000 9.172000 6.440000
H 8.320000 8.082000 6.410000
O 8.500000 8.332000 12.760000
H 8.680000 7.462000 12.400000
H 9.340000 8.622000 13.120000
O 9.630000 6.762000 8.550000
H 10.260000 6.452000 7.900000
H 9.120000 7.422000 8.090000
O 13.310000 8.710000 8.910000
H 13.470000 9.400000 9.560000
H 12.770000 9.120000 8.240000
20
Total energy= -2.56194749951837E+03 +- 6.47500777470655E-03 eV, Binding Energy= -0.020094 +- 0.0111161 eV
C 10.000000 10.000000 10.000000
H 10.150000 9.350000 9.130000
H 9.270000 10.780000 9.750000
H 9.630000 9.420000 10.840000
H 10.950000 10.470000 10.270000
O 11.350000 6.790000 9.630000
H 10.440000 6.550000 9.790000
H 11.370000 7.090000 8.730000
O 10.160000 9.440000 13.470000
H 9.460000 8.860000 13.190000
H 9.770000 10.320000 13.440000
O 6.480000 10.540000 10.560000
H 6.520000 9.710000 10.090000
H 6.470000 11.200000 9.880000
O 12.300000 8.140000 12.070000
H 11.470000 8.470000 12.420000
H 12.040000 7.600000 11.320000
O 13.420000 9.250000 9.000000
H 12.890000 9.930000 8.570000
H 13.530000 9.560000 9.900000
20
Total energy= -2.56206104491966E+03 +- 6.58386603766589E-03 eV, Binding Energy= -0.0637725 +- 0.00831739 eV
C 10.000000 10.000000 10.000000
H 10.760000 9.820000 9.240000
H 9.220000 10.650000 9.600000
H 9.560000 9.050000 10.310000
H 10.460000 10.490000 10.870000
O 11.130000 7.850000 7.610000
H 11.230000 7.310000 8.390000
H 11.300000 7.260000 6.880000
O 8.570000 7.220000 11.390000
H 7.990000 7.540000 10.710000
H 8.710000 7.970000 11.970000
O 8.990000 9.320000 13.300000
H 8.740000 8.840000 14.090000
H 9.920000 9.500000 13.420000
O 9.030000 13.600000 10.420000
H 8.800000 13.060000 11.180000
H 9.980000 13.660000 10.440000
O 6.890000 8.000000 8.920000
H 6.780000 7.120000 8.570000
H 7.560000 8.400000 8.370000
20
Total energy= -2.56198074822507E+03 +- 5.93017301405028E-03 eV, Binding Energy= -0.0457575 +- 0.00808048 eV
C 10.000000 10.000000 10.000000
H 9.010000 9.560000 9.940000
H 10.460000 9.750000 10.960000
H 10.630000 9.610000 9.190000
H 9.930000 11.090000 9.900000
O 13.210000 9.180000 10.160000
H 13.250000 10.110000 10.360000
H 14.060000 8.830000 10.410000
O 11.810000 8.280000 12.430000
H 11.960000 9.000000 13.040000
H 12.310000 8.530000 11.650000
O 9.430000 13.320000 11.850000
H 8.630000 13.380000 11.320000
H 9.220000 12.690000 12.530000
O 13.230000 12.210000 10.330000
H 12.710000 13.010000 10.350000
H 14.050000 12.470000 9.910000
O 12.550000 12.140000 7.610000
H 13.020000 12.890000 7.250000
H 12.740000 12.160000 8.550000
20
Total energy= -2.56196822186888E+03 +- 7.13205753314893E-03 eV, Binding Energy= 0.116309 +- 0.00887397 eV
C 10.000000 10.000000 10.000000
H 9.270000 9.350000 10.480000
H 10.990000 9.810000 10.420000
H 10.020000 9.790000 8.920000
H 9.730000 11.050000 10.160000
O 6.950000 10.950000 9.630000
H 6.010000 11.060000 9.780000
H 7.180000 10.150000 10.120000
O 9.720000 9.130000 6.890000
H 10.370000 8.630000 7.390000
H 9.870000 10.040000 7.150000
O 9.970000 11.910000 7.310000
H 10.860000 12.200000 7.500000
H 9.410000 12.510000 7.790000
O 7.040000 8.870000 11.490000
H 7.530000 9.090000 12.280000
H 7.270000 7.960000 11.310000
O 9.120000 11.630000 13.120000
H 8.540000 11.910000 12.410000
H 9.050000 12.320000 13.770000
20
Total energy= -2.56198769610188E+03 +- 6.99059895512767E-03 eV, Binding Energy= -0.0843366 +- 0.00890799 eV
C 10.000000 10.000000 10.000000
H 9.500000 10.280000 9.070000
H 11.070000 10.230000 9.930000
H 9.560000 10.550000 10.840000
H 9.870000 8.920000 10.170000
O 9.280000 7.960000 12.660000
H 9.480000 8.730000 13.190000
H 8.790000 7.380000 13.250000
O 8.220000 9.080000 7.170000
H 7.920000 8.980000 6.270000
H 9.150000 8.850000 7.140000
O 7.730000 12.740000 9.290000
H 7.700000 12.340000 8.420000
H 7.260000 13.570000 9.190000
O 10.760000 8.370000 6.770000
H 10.830000 7.950000 5.920000
H 11.410000 9.080000 6.740000
O 10.050000 13.780000 10.400000
H 10.200000 13.260000 11.180000
H 9.350000 13.320000 9.930000
20
Total energy= -2.56179105055738E+03 +- 6.52570718478692E-03 eV, Binding Energy= -0.064077 +- 0.00835686 eV
C 10.000000 10.000000 10.000000
H 10.770000 10.160000 10.760000
H 9.010000 10.180000 10.440000
H 10.160000 10.690000 9.170000
H 10.050000 8.970000 9.640000
O 12.330000 8.500000 7.640000
H 13.060000 8.660000 7.060000
H 11.600000 8.990000 7.260000
O 13.540000 8.800000 10.230000
H 13.160000 8.640000 9.370000
H 13.850000 7.950000 10.520000
O 7.840000 13.060000 9.420000
H 7.350000 12.360000 9.850000
H 7.650000 12.940000 8.480000
O 6.590000 8.490000 11.060000
H 5.820000 8.030000 11.400000
H 7.040000 8.800000 11.840000
O 10.150000 13.100000 12.360000
H 9.230000 12.840000 12.480000
H 10.640000 12.520000 12.930000
20
Total energy= -2.56203804963270E+03 +- 6.92617115480152E-03 eV, Binding Energy= -0.0235723 +- 0.00863162 eV
C 10.000000 10.000000 10.000000
H 10.850000 9.360000 9.770000
H 9.860000 10.730000 9.190000
H 9.090000 9.400000 10.110000
H 10.190000 10.540000 10.930000
O 9.270000 13.250000 10.530000
H 9.240000 12.870000 9.650000
H 10.190000 13.190000 10.790000
O 9.390000 12.510000 7.770000
H 10.340000 12.360000 7.690000
H 9.150000 12.980000 6.980000
O 11.390000 7.490000 8.110000
H 11.650000 8.120000 7.430000
H 11.740000 6.660000 7.800000
O 8.070000 7.590000 11.730000
H 7.140000 7.380000 11.660000
H 8.430000 6.910000 12.300000
O 8.860000 6.560000 9.150000
H 9.560000 7.150000 8.870000
H 8.570000 6.900000 9.990000
20
Total energy= -2.56170729483153E+03 +- 7.25933319022910E-03 eV, Binding Energy= -0.0733025 +- 0.00887036 eV
C 10.000000 10.000000 10.000000
H 10.350000 11.030000 10.030000
H 10.810000 9.330000 10.290000
H 9.160000 9.870000 10.690000
H 9.670000 9.750000 8.980000
O 11.600000 12.420000 8.070000
H 11.840000 11.540000 7.790000
H 10.780000 12.610000 7.600000
O 12.680000 8.580000 11.770000
H 13.520000 8.380000 12.180000
H 12.030000 8.290000 12.400000
O 8.480000 6.920000 8.970000
H 7.910000 7.650000 8.720000
H 8.390000 6.290000 8.260000
O 9.300000 12.800000 12.250000
H 9.950000 13.250000 11.720000
H 9.790000 12.110000 12.700000
O 10.740000 7.320000 7.510000
H 10.240000 7.130000 8.300000
H 10.090000 7.500000 6.840000
20
Total energy= -2.56196238947808E+03 +- 7.39543194946045E-03 eV, Binding Energy= -0.0555814 +- 0.0091221 eV
C 10.000000 10.000000 10.000000
H 10.080000 8.950000 9.700000
H 8.990000 10.350000 9.790000
H 10.210000 10.090000 11.070000
H 10.720000 10.600000 9.440000
O 7.500000 12.060000 10.860000
H 7.030000 11.280000 11.170000
H 8.280000 12.100000 11.430000
O 10.740000 7.060000 8.080000
H 10.900000 6.260000 7.570000
H 10.300000 7.640000 7.470000
O 13.000000 8.670000 8.530000
H 13.460000 8.040000 7.980000
H 12.120000 8.310000 8.630000
O 6.720000 9.560000 11.660000
H 7.460000 9.340000 12.230000
H 5.980000 9.660000 12.260000
O 9.110000 6.220000 10.070000
H 9.750000 6.590000 9.470000
H 8.300000 6.690000 9.880000
20
Total energy= -2.56194270836041E+03 +- 7.13875714049188E-03 eV, Binding Energy= 0.0315581 +- 0.00904 eV
C 10.000000 10.000000 10.000000
H 9.990000 10.650000 9.120000
H 8.970000 9.740000 10.270000
H 10.550000 9.080000 9.770000
H 10.480000 10.510000 10.830000
O 7.600000 9.190000 12.090000
H 7.420000 9.910000 11.490000
H 6.760000 9.030000 12.520000
O 10.710000 13.250000 9.740000
H 11.290000 12.800000 9.120000
H 9.830000 13.030000 9.450000
O 8.640000 6.988000 10.720000
H 8.250000 7.768000 11.110000
H 9.580000 7.128000 10.800000
O 8.210000 12.570000 8.710000
H 8.390000 12.080000 7.910000
H 7.770000 11.940000 9.280000
O 11.570000 6.988000 11.060000
H 12.310000 7.138000 10.470000
H 11.420000 6.038000 11.020000
20
Total energy= -2.56211316075034E+03 +- 6.49388771449253E-03 eV, Binding Energy= -0.0632709 +- 0.00840752 eV
C 10.000000 10.000000 10.000000
H 10.630000 10.880000 9.890000
H 9.510000 10.010000 10.980000
H 9.240000 9.990000 9.220000
H 10.610000 9.100000 9.920000
O 12.890000 10.700000 8.180000
H 12.120000 10.650000 7.620000
H 13.560000 11.120000 7.640000
O 10.320000 7.790000 7.310000
H 11.220000 7.460000 7.400000
H 10.420000 8.740000 7.220000
O 10.660000 10.450000 6.560000
H 10.870000 10.390000 5.630000
H 9.880000 11.000000 6.590000
O 9.880000 12.760000 12.590000
H 10.190000 13.340000 11.890000
H 10.640000 12.210000 12.800000
O 7.800000 7.120000 8.610000
H 6.950000 7.250000 8.190000
H 8.440000 7.350000 7.940000
20
Total energy= -2.56194447711152E+03 +- 6.10643166011775E-03 eV, Binding Energy= -0.0536542 +- 0.00805485 eV
C 10.000000 10.000000 10.000000
H 9.720000 10.970000 10.420000
H 9.090000 9.480000 9.670000
H 10.660000 10.150000 9.140000
H 10.510000 9.400000 10.750000
O 7.630000 7.530000 10.360000
H 7.720000 8.270000 10.970000
H 7.150000 7.900000 9.610000
O 12.810000 8.000000 9.330000
H 12.410000 8.510000 8.630000
H 13.690000 7.810000 9.010000
O 11.960000 9.500000 7.110000
H 11.260000 10.030000 6.740000
H 12.130000 8.830000 6.440000
O 7.060000 9.520000 12.360000
H 6.850000 9.620000 13.290000
H 6.820000 10.360000 11.970000
O 9.700000 8.750000 13.740000
H 9.560000 7.810000 13.850000
H 8.950000 9.050000 13.220000
20
Total energy= -2.56186686223493E+03 +- 6.75168872652068E-03 eV, Binding Energy= 0.0777186 +- 0.00858261 eV
C 10.000000 10.000000 10.000000
H 9.190000 9.440000 9.530000
H 10.960000 9.570000 9.690000
H 9.950000 11.040000 9.690000
H 9.910000 9.930000 11.090000
O 7.800000 7.970000 8.820000
H 8.070000 8.550000 8.110000
H 8.390000 7.220000 8.760000
O 12.160000 7.620000 9.410000
H 13.050000 7.630000 9.760000
H 12.130000 8.360000 8.800000
O 8.370000 12.200000 12.080000
H 7.960000 12.600000 12.840000
H 9.240000 11.940000 12.370000
O 12.540000 9.790000 7.670000
H 12.870000 10.480000 8.240000
H 11.760000 10.170000 7.270000
O 13.180000 11.660000 9.550000
H 13.410000 11.480000 10.460000
H 12.400000 12.220000 9.610000
20
Total energy= -2.56210750929217E+03 +- 6.78528320597834E-03 eV, Binding Energy= 0.0320833 +- 0.00858256 eV
C 10.000000 10.000000 10.000000
H 10.250000 9.990000 11.070000
H 9.400000 9.110000 9.770000
H 9.430000 10.900000 9.770000
H 10.920000 9.980000 9.410000
O 9.200000 11.100000 7.100000
H 8.860000 11.820000 7.640000
H 10.150000 11.230000 7.090000
O 8.580000 12.736000 11.590000
H 7.840000 12.376000 12.080000
H 9.350000 12.316000 11.980000
O 10.610000 11.690000 13.160000
H 10.290000 10.840000 13.470000
H 10.160000 12.330000 13.720000
O 13.260000 10.090000 8.230000
H 12.710000 9.310000 8.230000
H 12.660000 10.800000 8.010000
O 8.360000 13.106000 8.750000
H 7.470000 13.436000 8.690000
H 8.490000 12.936000 9.680000
20
Total energy= -2.56197810667683E+03 +- 6.49946141347493E-03 eV, Binding Energy= -0.0199125 +- 0.00828283 eV
C 10.000000 10.000000 10.000000
H 10.990000 10.420000 10.180000
H 9.480000 9.860000 10.940000
H 9.430000 10.670000 9.360000
H 10.110000 9.030000 9.500000
O 9.300000 10.830000 13.099000
H 8.960000 10.240000 13.769000
H 9.540000 11.630000 13.589000
O 7.200000 11.360000 11.290000
H 6.990000 12.280000 11.140000
H 7.940000 11.380000 11.900000
O 10.070000 9.030000 6.690000
H 9.960000 8.710000 5.790000
H 10.200000 9.970000 6.590000
O 11.690000 9.330000 13.119000
H 10.810000 9.710000 13.079000
H 12.270000 10.050000 12.899000
O 6.710000 10.610000 8.530000
H 5.790000 10.890000 8.530000
H 6.960000 10.600000 9.450000
20
Total energy= -2.56194538563589E+03 +- 5.95619533900929E-03 eV, Binding Energy= -0.0482812 +- 0.00819456 eV
C 10.000000 10.000000 10.000000
H 10.340000 10.970000 9.630000
H 9.990000 9.280000 9.190000
H 10.670000 9.660000 10.800000
H 8.980000 10.110000 10.400000
O 9.830000 13.540000 10.060000
H 9.140000 13.160000 9.530000
H 9.560000 13.370000 10.960000
O 12.440000 12.630000 9.660000
H 11.620000 12.940000 10.030000
H 12.460000 12.990000 8.770000
O 12.400000 8.750000 7.590000
H 11.900000 9.240000 6.940000
H 11.820000 8.050000 7.870000
O 6.306000 10.750000 9.960000
H 5.536000 10.950000 9.420000
H 6.996000 11.290000 9.580000
O 13.760000 10.280000 9.440000
H 13.230000 11.030000 9.710000
H 13.240000 9.860000 8.750000
