65
Total energy= -9.59152480679794E+03 +- 1.02560808051016E-02 eV, Binding Energy= -0.135538 +- 0.0137011 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
O 9.600000 10.930000 6.170000
H 9.620000 9.990000 6.370000
H 8.700000 11.190000 6.350000
O 6.900000 9.700000 12.460000
H 6.550000 8.820000 12.600000
H 7.850000 9.600000 12.560000
O 13.340000 11.460000 11.640000
H 13.040000 10.600000 11.340000
H 12.580000 12.030000 11.530000
O 9.570000 12.500000 13.090000
H 9.480000 11.550000 12.980000
H 9.870000 12.610000 13.990000
O 11.610000 13.640000 11.320000
H 10.820000 13.530000 11.840000
H 11.880000 14.550000 11.480000
O 11.550000 12.540000 6.990000
H 10.860000 11.930000 6.730000
H 11.160000 13.050000 7.700000
O 13.400000 8.640000 7.870000
H 13.980000 8.160000 7.280000
H 13.490000 9.550000 7.600000
O 8.390000 6.310000 8.660000
H 7.580000 6.510000 9.110000
H 8.620000 7.110000 8.190000
O 7.250000 12.900000 8.490000
H 8.070000 13.080000 8.940000
H 6.690000 12.500000 9.160000
O 11.550000 6.660000 7.470000
H 12.180000 7.370000 7.500000
H 12.040000 5.890000 7.760000
O 5.640000 11.520000 10.360000
H 4.710000 11.350000 10.510000
H 6.090000 10.740000 10.700000
O 14.090000 11.140000 7.410000
H 13.340000 11.740000 7.420000
H 14.320000 11.050000 6.490000
O 5.960000 7.130000 9.560000
H 5.730000 7.270000 10.480000
H 5.240000 6.610000 9.210000
O 6.820000 11.070000 6.290000
H 7.040000 11.640000 7.030000
H 6.430000 10.300000 6.690000
O 10.480000 5.760000 12.930000
H 9.640000 5.910000 13.370000
H 10.250000 5.650000 12.010000
65
Total energy= -9.59211780880497E+03 +- 9.92032620176727E-03 eV, Binding Energy= -0.169641 +- 0.0140059 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
O 12.240000 12.970000 9.550000
H 12.760000 13.550000 8.990000
H 12.720000 12.140000 9.530000
O 13.620000 10.680000 9.250000
H 13.430000 9.860000 8.790000
H 13.690000 10.410000 10.170000
O 12.980000 7.690000 10.740000
H 13.250000 8.420000 11.300000
H 13.590000 6.990000 10.950000
O 11.240000 8.380000 6.580000
H 11.390000 8.060000 5.690000
H 11.000000 9.290000 6.470000
O 7.640000 13.140000 9.050000
H 8.530000 13.260000 8.720000
H 7.380000 14.010000 9.370000
O 10.180000 13.530000 7.920000
H 10.970000 13.300000 8.410000
H 10.160000 14.480000 7.940000
O 9.140000 10.630000 14.000000
H 8.490000 11.160000 13.550000
H 8.810000 9.740000 13.930000
O 12.130000 10.750000 13.560000
H 12.090000 11.630000 13.190000
H 11.210000 10.490000 13.650000
O 8.430000 8.060000 13.460000
H 9.200000 7.820000 12.930000
H 8.570000 7.630000 14.300000
O 9.560000 5.660000 10.340000
H 10.060000 4.880000 10.130000
H 9.430000 6.100000 9.500000
O 13.420000 8.000000 8.120000
H 13.170000 7.730000 9.000000
H 12.590000 8.150000 7.660000
O 14.110000 9.890000 11.870000
H 14.940000 10.320000 12.110000
H 13.520000 10.110000 12.590000
O 12.020000 13.350000 12.290000
H 12.860000 13.810000 12.380000
H 11.890000 13.270000 11.340000
O 7.260000 12.200000 12.870000
H 6.580000 11.690000 13.320000
H 7.310000 11.810000 12.000000
O 5.660000 7.080000 10.080000
H 6.090000 6.240000 10.210000
H 6.260000 7.580000 9.530000
65
Total energy= -9.59241711537416E+03 +- 9.91330896673975E-03 eV, Binding Energy= -0.147336 +- 0.0140134 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
O 8.250000 8.540000 7.070000
H 7.980000 7.950000 6.370000
H 8.600000 7.960000 7.750000
O 12.320000 11.480000 12.639000
H 11.470000 11.050000 12.769000
H 12.730000 10.990000 11.919000
O 8.950000 6.524000 8.740000
H 9.860000 6.364000 8.520000
H 8.950000 6.674000 9.680000
O 10.730000 13.530000 8.620000
H 11.150000 12.820000 8.150000
H 11.060000 13.460000 9.520000
O 11.200000 11.630000 6.610000
H 10.370000 11.370000 6.210000
H 11.770000 11.830000 5.860000
O 7.230000 10.380000 12.789000
H 6.980000 10.810000 11.969000
H 6.860000 9.500000 12.719000
O 7.950000 13.270000 8.850000
H 8.890000 13.250000 8.660000
H 7.540000 13.440000 8.000000
O 11.590000 6.970000 7.700000
H 11.700000 6.890000 6.750000
H 11.860000 7.860000 7.900000
O 11.030000 7.670000 13.389000
H 10.340000 7.260000 12.859000
H 10.680000 8.530000 13.609000
O 12.250000 13.620000 11.049000
H 13.160000 13.900000 11.119000
H 12.130000 13.020000 11.779000
O 13.410000 7.740000 11.779000
H 12.600000 7.640000 12.279000
H 14.020000 8.140000 12.389000
O 5.890000 9.030000 8.540000
H 5.190000 9.250000 7.920000
H 6.690000 9.060000 8.020000
O 9.090000 10.500000 5.400000
H 9.770000 10.000000 4.940000
H 8.860000 9.960000 6.160000
O 6.480000 7.230000 12.389000
H 5.840000 7.340000 11.689000
H 6.090000 6.580000 12.969000
O 7.260000 14.380000 11.249000
H 8.080000 14.610000 11.689000
H 7.540000 14.050000 10.400000
65
Total energy= -9.59195157343932E+03 +- 1.01617444748707E-02 eV, Binding Energy= 0.0214129 +- 0.01384 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
O 6.830000 11.780000 8.790000
H 7.000000 12.380000 9.510000
H 5.870000 11.680000 8.780000
O 8.990000 8.590000 6.460000
H 8.260000 8.890000 7.010000
H 9.520000 9.370000 6.320000
O 9.550000 10.160000 14.000000
H 10.460000 10.390000 13.800000
H 9.310000 9.520000 13.320000
O 9.160000 13.100000 7.560000
H 9.620000 12.480000 7.000000
H 8.370000 12.630000 7.830000
O 6.870000 7.590000 10.890000
H 7.070000 8.130000 10.120000
H 6.260000 8.120000 11.400000
O 10.540000 6.470000 8.010000
H 10.460000 7.320000 7.590000
H 9.630000 6.170000 8.100000
O 12.930000 8.620000 7.500000
H 12.930000 8.220000 6.630000
H 12.950000 9.560000 7.340000
O 12.490000 10.300000 13.590000
H 12.990000 10.490000 14.390000
H 12.610000 11.080000 13.050000
O 13.060000 11.350000 6.920000
H 13.730000 11.400000 6.230000
H 13.130000 12.190000 7.380000
O 9.720000 14.562000 9.790000
H 9.730000 14.002000 9.020000
H 10.580000 14.432000 10.190000
O 7.340000 13.632000 10.820000
H 8.170000 14.012000 10.550000
H 7.540000 13.152000 11.620000
O 7.980000 12.290000 13.430000
H 8.720000 11.690000 13.330000
H 7.260000 11.730000 13.710000
O 13.930000 12.490000 10.130000
H 14.810000 12.690000 10.470000
H 13.860000 11.540000 10.210000
O 11.870000 14.232000 11.510000
H 12.410000 14.862000 11.990000
H 12.460000 13.852000 10.860000
O 10.900000 13.002000 14.250000
H 10.260000 13.602000 14.640000
H 11.150000 13.412000 13.420000
65
Total energy= -9.59149279252119E+03 +- 8.56386139612006E-03 eV, Binding Energy= -0.108068 +- 0.0126248 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
O 11.574000 13.170000 11.070000
H 10.764000 13.210000 10.550000
H 11.524000 13.950000 11.630000
O 11.954000 11.130000 12.960000
H 12.884000 11.120000 13.180000
H 11.894000 11.730000 12.210000
O 9.460000 7.380000 7.280000
H 10.290000 7.150000 6.860000
H 9.300000 8.280000 7.020000
O 7.150000 12.720000 8.980000
H 6.810000 12.990000 9.830000
H 7.020000 13.480000 8.420000
O 8.970000 9.830000 6.060000
H 8.100000 10.110000 5.770000
H 9.310000 9.330000 5.310000
O 12.984000 11.110000 7.190000
H 13.434000 10.270000 7.290000
H 13.164000 11.580000 8.000000
O 13.874000 8.190000 10.190000
H 14.354000 8.930000 10.560000
H 13.164000 8.030000 10.810000
O 11.854000 8.200000 13.640000
H 11.864000 9.070000 13.240000
H 12.604000 8.200000 14.230000
O 10.540000 12.310000 6.140000
H 10.000000 11.520000 6.030000
H 11.400000 11.980000 6.400000
O 13.664000 13.220000 8.940000
H 13.084000 13.120000 9.700000
H 13.294000 13.940000 8.450000
O 14.104000 8.710000 7.460000
H 14.004000 8.510000 8.390000
H 14.884000 8.210000 7.190000
O 5.260000 10.150000 8.420000
H 5.800000 10.920000 8.610000
H 4.420000 10.510000 8.150000
O 7.420000 12.180000 13.720000
H 6.980000 12.370000 12.890000
H 6.710000 12.050000 14.350000
O 5.180000 8.740000 10.840000
H 6.050000 8.570000 11.200000
H 5.340000 9.280000 10.060000
O 6.000000 13.160000 11.530000
H 5.660000 14.060000 11.600000
H 5.210000 12.620000 11.450000
65
Total energy= -9.59085976125856E+03 +- 1.02308823801261E-02 eV, Binding Energy= -0.112557 +- 0.0140906 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
O 6.896000 11.430000 8.380000
H 6.306000 10.870000 8.900000
H 6.306000 12.010000 7.900000
O 13.220000 8.470000 8.720000
H 14.120000 8.220000 8.940000
H 13.210000 9.420000 8.820000
O 12.300000 7.100000 11.020000
H 12.620000 7.580000 10.260000
H 12.950000 6.420000 11.160000
O 9.510000 6.210000 10.860000
H 10.270000 6.790000 10.790000
H 9.750000 5.590000 11.550000
O 8.630000 12.320000 12.910000
H 7.990000 11.650000 12.690000
H 8.600000 12.930000 12.170000
O 8.470000 10.940000 6.220000
H 7.980000 10.420000 5.580000
H 7.880000 11.030000 6.970000
O 6.396000 10.800000 12.000000
H 5.966000 10.220000 12.630000
H 5.866000 11.600000 12.010000
O 7.046000 7.330000 11.860000
H 7.776000 6.850000 11.470000
H 6.316000 6.720000 11.850000
O 8.300000 8.920000 13.910000
H 7.760000 9.160000 14.670000
H 7.710000 8.430000 13.340000
O 10.090000 8.910000 5.640000
H 9.850000 8.900000 4.710000
H 9.610000 9.660000 5.990000
O 5.346000 9.650000 9.790000
H 5.806000 9.830000 10.610000
H 4.426000 9.840000 10.000000
O 12.660000 8.050000 13.520000
H 12.320000 7.520000 12.790000
H 13.030000 7.400000 14.130000
O 7.930000 5.720000 8.640000
H 8.660000 5.870000 9.240000
H 8.190000 6.180000 7.840000
O 11.070000 13.840000 13.230000
H 11.720000 13.320000 12.770000
H 10.250000 13.340000 13.130000
O 12.580000 7.820000 6.030000
H 12.040000 8.550000 5.750000
H 12.750000 7.990000 6.960000
65
Total energy= -9.59129048027460E+03 +- 8.79717988639853E-03 eV, Binding Energy= -0.0699162 +- 0.0131754 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
O 12.550000 12.780000 10.330000
H 11.880000 12.920000 9.670000
H 13.310000 13.260000 10.000000
O 12.450000 10.480000 6.950000
H 13.350000 10.730000 7.170000
H 12.030000 11.300000 6.710000
O 10.450000 13.810000 8.740000
H 10.800000 14.580000 9.200000
H 9.500000 13.900000 8.810000
O 10.830000 9.200000 13.930000
H 11.700000 9.500000 13.680000
H 10.990000 8.580000 14.640000
O 14.040000 10.690000 10.710000
H 13.780000 10.580000 11.630000
H 13.610000 11.500000 10.440000
O 9.340000 6.022000 11.500000
H 9.420000 5.122000 11.810000
H 10.230000 6.272000 11.250000
O 6.250000 10.180000 7.450000
H 5.940000 9.990000 8.340000
H 7.080000 9.720000 7.380000
O 10.970000 12.700000 6.460000
H 10.140000 12.650000 5.990000
H 10.780000 13.210000 7.240000
O 7.330000 10.760000 13.720000
H 6.460000 11.060000 13.440000
H 7.560000 10.080000 13.100000
O 6.590000 6.832000 9.430000
H 7.510000 6.752000 9.690000
H 6.440000 6.082000 8.850000
O 7.850000 14.280000 9.870000
H 7.860000 14.100000 10.810000
H 8.030000 15.210000 9.800000
O 10.960000 8.800000 5.350000
H 11.480000 8.590000 4.580000
H 11.520000 9.380000 5.870000
O 13.520000 10.000000 13.430000
H 13.550000 10.850000 13.860000
H 14.320000 9.560000 13.700000
O 8.350000 13.820000 12.750000
H 7.530000 14.170000 13.090000
H 8.280000 12.880000 12.860000
O 6.760000 13.020000 7.510000
H 6.810000 12.070000 7.470000
H 6.840000 13.220000 8.440000
65
Total energy= -9.59147486536848E+03 +- 1.17286351849295E-02 eV, Binding Energy= -0.12431 +- 0.0149014 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
O 12.300000 11.490000 7.540000
H 11.830000 12.290000 7.790000
H 12.770000 11.730000 6.740000
O 8.510000 7.560000 12.410000
H 7.580000 7.760000 12.300000
H 8.550000 7.060000 13.230000
O 8.340000 13.390000 9.550000
H 7.670000 12.930000 9.040000
H 8.200000 13.100000 10.450000
O 10.400000 10.170000 6.080000
H 11.080000 10.610000 6.590000
H 10.380000 10.640000 5.250000
O 10.990000 7.660000 6.900000
H 10.870000 8.560000 6.590000
H 11.700000 7.320000 6.360000
O 7.630000 9.740000 6.710000
H 8.560000 9.930000 6.580000
H 7.410000 9.130000 6.000000
O 10.740000 13.930000 8.540000
H 11.280000 14.090000 9.310000
H 9.880000 13.700000 8.890000
O 6.190000 8.590000 8.640000
H 6.840000 8.970000 8.060000
H 5.350000 8.880000 8.280000
O 9.020000 5.780000 10.380000
H 8.870000 6.410000 11.080000
H 8.320000 5.940000 9.750000
O 7.550000 12.910000 12.350000
H 6.890000 12.240000 12.480000
H 7.100000 13.740000 12.520000
O 9.600000 12.120000 13.920000
H 8.950000 12.590000 13.390000
H 9.240000 12.130000 14.810000
O 6.500000 12.070000 8.070000
H 6.150000 12.720000 7.470000
H 6.530000 11.260000 7.560000
O 14.402000 9.940000 11.690000
H 13.592000 9.480000 11.900000
H 15.022000 9.250000 11.440000
O 12.460000 14.360000 10.450000
H 13.260000 13.970000 10.100000
H 12.600000 15.300000 10.370000
O 6.860000 5.970000 8.690000
H 7.260000 5.830000 7.830000
H 6.560000 6.880000 8.680000
65
Total energy= -9.59147196868519E+03 +- 1.13606398263346E-02 eV, Binding Energy= -0.134175 +- 0.0148295 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
O 9.240000 7.250000 12.950000
H 9.000000 6.860000 12.110000
H 10.140000 7.570000 12.810000
O 7.560000 6.690000 10.550000
H 7.170000 6.890000 9.700000
H 8.350000 6.200000 10.330000
O 9.320000 11.350000 13.870000
H 10.190000 11.160000 13.530000
H 8.790000 10.590000 13.630000
O 7.460000 12.500000 7.750000
H 7.330000 13.130000 8.460000
H 8.400000 12.540000 7.560000
O 10.050000 13.290000 7.280000
H 10.760000 12.750000 7.640000
H 10.060000 14.090000 7.820000
O 8.910000 9.960000 5.840000
H 9.870000 10.000000 5.820000
H 8.700000 9.030000 5.770000
O 7.300000 9.260000 13.350000
H 6.720000 9.270000 12.590000
H 7.800000 8.450000 13.260000
O 12.090000 10.560000 13.800000
H 12.050000 10.350000 14.730000
H 12.810000 11.180000 13.720000
O 11.840000 9.960000 5.920000
H 12.310000 10.080000 5.100000
H 12.130000 10.670000 6.480000
O 13.030000 7.960000 7.410000
H 13.180000 8.380000 8.260000
H 12.540000 8.600000 6.900000
O 5.540000 9.540000 10.950000
H 5.810000 9.750000 10.060000
H 5.210000 10.360000 11.310000
O 5.770000 10.190000 8.180000
H 5.060000 10.800000 8.040000
H 6.560000 10.670000 7.930000
O 6.990000 13.620000 10.240000
H 6.370000 13.130000 10.780000
H 6.730000 14.540000 10.350000
O 9.920000 5.220000 10.100000
H 9.750000 4.330000 9.780000
H 10.330000 5.660000 9.360000
O 11.650000 14.470000 10.780000
H 10.940000 13.960000 11.160000
H 11.230000 14.960000 10.070000
65
Total energy= -9.59079275175438E+03 +- 1.04123025452152E-02 eV, Binding Energy= -0.153963 +- 0.0135042 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
O 6.950000 7.860000 11.450000
H 6.850000 8.290000 10.600000
H 7.840000 8.070000 11.720000
O 10.550000 12.660000 13.080000
H 11.130000 13.020000 13.750000
H 9.670000 12.860000 13.380000
O 13.990000 8.930000 9.980000
H 13.900000 9.220000 10.880000
H 13.710000 9.680000 9.460000
O 13.850000 11.600000 9.200000
H 14.000000 12.020000 10.050000
H 14.720000 11.460000 8.840000
O 10.140000 10.050000 14.260000
H 9.470000 10.250000 14.920000
H 10.260000 10.870000 13.790000
O 12.880000 10.090000 6.840000
H 13.160000 10.850000 7.360000
H 13.670000 9.810000 6.380000
O 6.050000 8.850000 8.680000
H 6.690000 9.020000 7.990000
H 5.680000 7.990000 8.460000
O 12.080000 13.540000 8.540000
H 12.710000 12.890000 8.840000
H 11.520000 13.700000 9.300000
O 7.950000 11.830000 6.560000
H 8.110000 10.880000 6.540000
H 7.090000 11.940000 6.160000
O 5.530000 11.430000 10.100000
H 6.360000 11.850000 9.900000
H 5.620000 10.540000 9.770000
O 10.440000 13.030000 6.300000
H 9.610000 12.590000 6.460000
H 10.870000 13.060000 7.150000
O 11.810000 6.030000 7.940000
H 12.140000 6.170000 8.830000
H 11.540000 6.900000 7.650000
O 13.000000 6.070000 10.440000
H 13.540000 5.290000 10.590000
H 13.630000 6.800000 10.460000
O 10.990000 5.630000 12.430000
H 11.700000 5.820000 11.810000
H 10.510000 6.450000 12.500000
O 14.280000 9.420000 12.910000
H 13.780000 9.620000 13.710000
H 15.170000 9.700000 13.120000
65
Total energy= -9.59171748657964E+03 +- 9.63867347721446E-03 eV, Binding Energy= -0.203714 +- 0.0139171 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
O 10.150000 9.140000 6.170000
H 10.330000 10.060000 6.350000
H 9.200000 9.050000 6.280000
O 7.860000 6.770000 9.130000
H 7.210000 6.100000 8.900000
H 7.470000 7.250000 9.860000
O 12.350000 8.980000 13.040000
H 12.700000 8.800000 12.170000
H 11.530000 8.490000 13.090000
O 10.720000 11.810000 6.520000
H 10.250000 12.360000 7.150000
H 10.630000 12.270000 5.680000
O 9.860000 7.510000 13.200000
H 9.760000 7.120000 12.330000
H 9.090000 8.070000 13.310000
O 6.090000 11.130000 10.130000
H 6.370000 10.230000 10.350000
H 5.330000 11.020000 9.570000
O 10.300000 13.750000 8.430000
H 11.020000 13.580000 9.030000
H 9.510000 13.570000 8.950000
O 12.070000 13.520000 10.430000
H 11.390000 13.260000 11.050000
H 12.570000 12.720000 10.280000
O 9.870000 5.940000 10.730000
H 9.340000 6.130000 9.960000
H 9.400000 5.240000 11.190000
O 7.800000 9.330000 13.450000
H 8.060000 10.230000 13.630000
H 7.200000 9.110000 14.160000
O 7.690000 8.440000 6.910000
H 7.680000 7.900000 7.700000
H 7.170000 7.950000 6.280000
O 14.050000 11.640000 9.880000
H 13.860000 10.710000 9.980000
H 14.750000 11.810000 10.510000
O 11.760000 11.650000 13.770000
H 11.730000 10.760000 13.410000
H 11.910000 11.520000 14.710000
O 7.660000 12.230000 13.580000
H 6.750000 11.940000 13.600000
H 7.730000 12.850000 14.310000
O 6.880000 12.910000 6.900000
H 7.430000 13.330000 6.230000
H 6.170000 13.540000 7.040000
65
Total energy= -9.59148595474405E+03 +- 8.96124284040786E-03 eV, Binding Energy= -0.0818767 +- 0.0134059 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
O 12.240000 12.200000 7.680000
H 12.780000 12.760000 7.120000
H 12.330000 11.320000 7.310000
O 11.990000 13.270000 11.470000
H 12.560000 12.730000 10.930000
H 12.380000 14.150000 11.420000
O 12.340000 9.630000 6.530000
H 12.060000 9.450000 5.640000
H 13.290000 9.490000 6.510000
O 13.850000 11.720000 9.950000
H 13.460000 11.890000 9.090000
H 14.250000 10.860000 9.860000
O 13.410000 7.380000 9.970000
H 12.650000 7.450000 9.380000
H 13.450000 6.450000 10.200000
O 7.180000 11.020000 6.840000
H 7.920000 11.410000 7.300000
H 7.530000 10.220000 6.450000
O 13.030000 7.900000 12.860000
H 13.180000 8.040000 11.920000
H 12.400000 7.180000 12.900000
O 7.080000 9.250000 13.840000
H 6.540000 9.940000 13.460000
H 7.510000 8.840000 13.090000
O 7.140000 13.240000 12.440000
H 7.870000 13.310000 11.810000
H 6.640000 14.050000 12.310000
O 7.160000 6.860000 7.130000
H 7.820000 6.800000 7.820000
H 6.330000 6.970000 7.590000
O 4.880000 10.050000 8.230000
H 5.720000 10.390000 7.910000
H 4.240000 10.380000 7.600000
O 15.350000 9.300000 9.410000
H 16.050000 9.290000 10.060000
H 14.730000 8.630000 9.710000
O 7.750000 8.810000 5.200000
H 7.800000 8.040000 5.760000
H 6.810000 8.930000 5.040000
O 9.100000 5.300000 12.580000
H 8.690000 4.850000 13.320000
H 10.020000 5.370000 12.810000
O 5.410000 11.040000 12.730000
H 6.080000 11.690000 12.510000
H 4.910000 10.940000 11.920000
65
Total energy= -9.59111157242117E+03 +- 8.73291200814343E-03 eV, Binding Energy= -0.123307 +- 0.0123443 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
O 12.450000 9.780000 7.030000
H 11.920000 9.040000 7.340000
H 12.280000 9.830000 6.090000
O 7.000000 8.890000 7.790000
H 6.720000 9.800000 7.950000
H 6.180000 8.400000 7.770000
O 10.340000 10.540000 14.140000
H 10.250000 10.760000 15.070000
H 10.660000 9.640000 14.130000
O 11.370000 14.000000 10.500000
H 12.180000 13.710000 10.920000
H 11.370000 13.550000 9.650000
O 12.670000 6.550000 10.000000
H 12.710000 7.240000 10.660000
H 12.340000 5.780000 10.470000
O 9.190000 12.610000 6.550000
H 8.390000 12.210000 6.900000
H 9.020000 12.710000 5.610000
O 6.660000 12.700000 11.130000
H 7.580000 12.860000 11.340000
H 6.460000 11.880000 11.570000
O 14.440000 10.580000 10.380000
H 14.500000 10.010000 9.600000
H 13.750000 10.180000 10.910000
O 6.090000 10.350000 12.450000
H 6.640000 9.690000 12.870000
H 5.650000 10.790000 13.180000
O 6.590000 11.760000 7.370000
H 6.060000 11.930000 6.600000
H 6.190000 12.310000 8.050000
O 7.910000 9.170000 14.170000
H 8.670000 9.750000 14.170000
H 7.510000 9.310000 15.030000
O 11.330000 8.080000 14.130000
H 11.730000 8.010000 15.000000
H 10.470000 7.680000 14.230000
O 8.760000 8.260000 5.710000
H 8.140000 8.560000 6.370000
H 8.250000 8.210000 4.900000
O 13.560000 12.920000 11.810000
H 14.280000 13.540000 11.670000
H 13.630000 12.310000 11.080000
O 8.820000 5.410000 11.420000
H 8.960000 5.730000 10.530000
H 7.950000 5.020000 11.400000
65
Total energy= -9.59251909186551E+03 +- 8.20121476230100E-03 eV, Binding Energy= -0.0743447 +- 0.0130605 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
O 6.670000 11.310000 10.720000
H 6.580000 11.890000 11.470000
H 5.770000 11.090000 10.480000
O 10.570000 8.920000 6.520000
H 10.150000 9.760000 6.360000
H 9.960000 8.440000 7.080000
O 9.010000 7.018000 7.980000
H 8.820000 7.028000 8.920000
H 9.750000 6.418000 7.890000
O 12.550000 12.020000 7.970000
H 13.220000 12.280000 8.600000
H 12.510000 12.750000 7.350000
O 8.940000 11.120000 6.450000
H 9.050000 11.890000 5.890000
H 8.010000 10.910000 6.380000
O 10.670000 12.890000 12.500000
H 10.270000 12.070000 12.780000
H 10.570000 12.880000 11.540000
O 9.180000 10.810000 13.750000
H 8.660000 10.200000 13.240000
H 9.960000 10.320000 13.990000
O 12.990000 9.220000 7.480000
H 12.900000 10.150000 7.660000
H 12.130000 8.940000 7.200000
O 6.400000 8.420000 8.250000
H 7.280000 8.200000 7.960000
H 5.840000 7.740000 7.890000
O 13.980000 7.820000 9.750000
H 13.640000 8.240000 8.960000
H 14.190000 8.540000 10.330000
O 13.060000 8.170000 13.010000
H 13.600000 7.510000 13.440000
H 12.540000 7.680000 12.370000
O 14.160000 12.320000 10.180000
H 14.300000 11.540000 10.720000
H 14.200000 13.050000 10.790000
O 11.450000 9.630000 14.670000
H 12.010000 9.260000 13.980000
H 11.980000 10.340000 15.040000
O 14.690000 9.800000 11.640000
H 15.570000 9.770000 12.010000
H 14.150000 9.310000 12.260000
O 6.460000 12.770000 12.880000
H 6.490000 13.640000 12.480000
H 7.250000 12.730000 13.430000
65
Total energy= -9.59147825405114E+03 +- 9.46529361854438E-03 eV, Binding Energy= -0.154745 +- 0.0141322 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
O 7.400000 7.450000 11.460000
H 7.840000 8.220000 11.800000
H 7.640000 7.410000 10.540000
O 7.330000 11.830000 12.350000
H 7.130000 12.080000 11.440000
H 8.180000 12.250000 12.530000
O 7.950000 9.370000 13.430000
H 7.180000 9.070000 13.920000
H 7.640000 10.100000 12.910000
O 6.560000 10.410000 7.900000
H 6.410000 10.170000 6.980000
H 5.990000 9.820000 8.390000
O 12.350000 11.580000 12.900000
H 12.810000 11.420000 12.080000
H 12.430000 10.750000 13.380000
O 13.810000 11.230000 10.640000
H 13.380000 10.910000 9.840000
H 14.580000 11.700000 10.320000
O 8.400000 12.230000 6.880000
H 7.770000 11.670000 7.330000
H 7.860000 12.930000 6.510000
O 10.160000 14.440000 10.420000
H 9.330000 14.900000 10.550000
H 10.340000 14.540000 9.490000
O 6.030000 12.320000 9.860000
H 6.390000 11.720000 9.200000
H 5.140000 11.990000 10.020000
O 14.270000 8.460000 7.580000
H 13.730000 9.180000 7.880000
H 15.030000 8.470000 8.170000
O 12.710000 6.370000 7.380000
H 13.020000 5.770000 6.700000
H 13.360000 7.070000 7.390000
O 14.950000 8.910000 11.450000
H 15.430000 9.170000 12.230000
H 14.430000 9.680000 11.210000
O 11.720000 7.170000 14.160000
H 12.490000 7.000000 13.620000
H 11.030000 6.630000 13.770000
O 9.060000 5.770000 13.090000
H 8.470000 5.230000 13.630000
H 8.480000 6.420000 12.690000
O 12.350000 9.690000 14.850000
H 12.140000 8.780000 14.640000
H 11.550000 10.030000 15.250000
65
Total energy= -9.59055335919319E+03 +- 9.85582356079524E-03 eV, Binding Energy= -0.128482 +- 0.0135784 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
O 13.690000 9.730000 11.400000
H 13.170000 9.280000 10.740000
H 14.100000 10.450000 10.930000
O 8.010000 12.408000 7.510000
H 8.670000 11.978000 6.950000
H 7.340000 11.728000 7.640000
O 10.400000 11.408000 6.080000
H 10.480000 11.388000 5.130000
H 11.120000 11.968000 6.370000
O 9.060000 14.128000 9.540000
H 10.010000 14.078000 9.450000
H 8.720000 13.518000 8.900000
O 5.920000 11.518000 10.810000
H 5.060000 11.938000 10.880000
H 6.070000 11.438000 9.860000
O 7.890000 13.488000 11.780000
H 7.230000 12.968000 11.330000
H 8.480000 13.778000 11.080000
O 11.440000 5.770000 9.860000
H 11.980000 5.010000 9.650000
H 11.980000 6.520000 9.620000
O 5.970000 10.820000 8.080000
H 5.110000 11.140000 7.820000
H 5.860000 9.870000 8.150000
O 12.350000 9.890000 13.890000
H 11.470000 9.540000 13.760000
H 12.770000 9.820000 13.040000
O 9.010000 5.850000 8.390000
H 8.570000 6.430000 9.010000
H 9.940000 5.950000 8.590000
O 11.800000 14.208000 9.110000
H 12.000000 15.148000 9.040000
H 11.910000 13.868000 8.220000
O 5.830000 8.150000 8.420000
H 4.980000 7.900000 8.790000
H 5.740000 8.000000 7.480000
O 14.000000 11.380000 7.520000
H 13.400000 10.660000 7.310000
H 14.850000 11.090000 7.180000
O 12.970000 13.728000 11.490000
H 12.490000 14.008000 10.710000
H 13.610000 14.428000 11.640000
O 11.880000 12.648000 13.910000
H 12.320000 13.018000 13.150000
H 12.230000 11.758000 13.980000
65
Total energy= -9.59079146938526E+03 +- 9.07575036708311E-03 eV, Binding Energy= -0.017719 +- 0.0133333 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
O 10.890000 11.860000 13.120000
H 11.770000 11.570000 12.880000
H 11.030000 12.580000 13.730000
O 10.560000 11.410000 6.570000
H 10.790000 12.320000 6.760000
H 10.500000 11.370000 5.620000
O 6.700000 11.820000 9.810000
H 7.250000 11.910000 10.580000
H 7.220000 12.200000 9.100000
O 11.700000 7.400000 12.160000
H 12.420000 7.960000 12.450000
H 11.610000 7.570000 11.220000
O 7.870000 9.720000 6.650000
H 7.820000 9.240000 5.820000
H 8.480000 10.440000 6.480000
O 6.200000 9.260000 10.930000
H 6.290000 10.160000 10.620000
H 6.810000 8.760000 10.380000
O 8.140000 12.650000 7.570000
H 9.060000 12.400000 7.460000
H 7.960000 13.230000 6.830000
O 11.480000 13.940000 9.680000
H 10.600000 14.230000 9.920000
H 12.070000 14.500000 10.190000
O 13.610000 11.350000 12.360000
H 13.770000 10.480000 12.710000
H 14.090000 11.930000 12.950000
O 6.940000 9.280000 13.530000
H 6.960000 9.390000 12.580000
H 7.790000 9.600000 13.830000
O 9.660000 9.980000 14.790000
H 10.290000 9.460000 15.290000
H 10.190000 10.650000 14.360000
O 9.000000 14.720000 10.600000
H 8.290000 15.130000 10.110000
H 8.580000 14.000000 11.080000
O 9.000000 5.530000 8.100000
H 9.920000 5.520000 7.830000
H 8.690000 4.640000 7.920000
O 9.450000 5.760000 12.620000
H 10.140000 6.430000 12.580000
H 9.080000 5.860000 13.500000
O 13.920000 8.730000 13.100000
H 14.090000 8.420000 13.990000
H 14.720000 8.520000 12.620000
65
Total energy= -9.59132591800508E+03 +- 9.02359767324946E-03 eV, Binding Energy= -0.0390295 +- 0.0128042 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
O 8.720000 6.710000 11.240000
H 8.610000 6.650000 10.290000
H 9.030000 5.840000 11.500000
O 12.040000 7.510000 8.080000
H 11.920000 7.110000 8.940000
H 12.900000 7.200000 7.790000
O 11.700000 11.986000 6.950000
H 11.760000 12.906000 7.230000
H 12.300000 11.916000 6.220000
O 7.530000 8.790000 7.050000
H 6.630000 8.960000 7.310000
H 7.980000 9.630000 7.180000
O 11.510000 6.080000 10.380000
H 10.690000 6.400000 10.740000
H 12.180000 6.380000 10.990000
O 8.140000 6.410000 8.520000
H 7.350000 5.870000 8.480000
H 7.870000 7.260000 8.160000
O 14.310000 11.150000 10.720000
H 14.480000 10.350000 11.220000
H 13.900000 10.840000 9.910000
O 5.540000 9.420000 10.500000
H 5.320000 9.290000 9.580000
H 5.880000 8.570000 10.790000
O 6.170000 11.540000 12.460000
H 6.030000 10.670000 12.080000
H 5.490000 12.090000 12.070000
O 13.250000 7.010000 12.220000
H 13.830000 7.770000 12.100000
H 13.850000 6.250000 12.200000
O 10.370000 9.310000 14.920000
H 11.090000 8.690000 14.800000
H 9.710000 8.820000 15.410000
O 6.210000 7.000000 11.850000
H 5.760000 6.450000 11.210000
H 7.140000 6.830000 11.690000
O 13.440000 12.866000 12.670000
H 12.520000 12.626000 12.810000
H 13.800000 12.156000 12.140000
O 10.160000 6.020000 6.610000
H 9.340000 6.170000 7.080000
H 10.800000 6.560000 7.070000
O 12.410000 14.426000 8.240000
H 12.710000 14.506000 9.150000
H 13.180000 14.636000 7.720000
65
Total energy= -9.59202247804372E+03 +- 9.56411933047780E-03 eV, Binding Energy= -0.0940539 +- 0.014134 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
O 12.060000 7.270000 11.310000
H 11.190000 6.900000 11.150000
H 11.910000 7.970000 11.940000
O 7.390000 8.160000 7.730000
H 7.300000 9.090000 7.940000
H 8.300000 8.060000 7.460000
O 7.320000 7.800000 11.930000
H 7.580000 8.720000 11.940000
H 6.810000 7.680000 12.720000
O 10.270000 11.880000 6.480000
H 10.800000 12.100000 5.720000
H 10.740000 12.250000 7.230000
O 12.270000 12.830000 8.260000
H 12.590000 13.620000 7.830000
H 12.940000 12.170000 8.060000
O 9.440000 6.110000 11.080000
H 8.960000 5.710000 10.360000
H 8.810000 6.690000 11.500000
O 13.190000 11.420000 12.480000
H 13.050000 12.180000 11.920000
H 13.760000 11.730000 13.179000
O 14.030000 10.470000 8.570000
H 13.810000 9.540000 8.610000
H 14.840000 10.500000 8.070000
O 7.910000 12.900000 7.520000
H 7.520000 12.090000 7.850000
H 8.580000 12.610000 6.910000
O 9.120000 14.320000 9.370000
H 8.360000 14.460000 9.930000
H 8.810000 13.720000 8.690000
O 13.840000 7.730000 8.870000
H 13.290000 7.580000 8.110000
H 13.250000 7.640000 9.620000
O 10.460000 14.340000 11.680000
H 9.970000 14.050000 10.910000
H 11.380000 14.320000 11.400000
O 13.000000 13.570000 10.910000
H 12.850000 13.480000 9.970000
H 13.850000 14.010000 10.980000
O 12.550000 7.790000 6.580000
H 12.170000 6.950000 6.300000
H 11.790000 8.350000 6.750000
O 10.240000 13.160000 14.169000
H 11.040000 13.170000 14.689000
H 10.520000 13.440000 13.299000
65
Total energy= -9.59222301012133E+03 +- 9.12124273067868E-03 eV, Binding Energy= -0.153931 +- 0.0134555 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
O 7.560000 8.160000 12.300000
H 7.370000 8.010000 11.370000
H 8.350000 7.640000 12.470000
O 8.000000 10.640000 13.240000
H 7.200000 11.110000 13.000000
H 7.870000 9.760000 12.890000
O 7.660000 12.740000 8.590000
H 7.840000 12.550000 7.670000
H 7.250000 13.610000 8.570000
O 6.586000 8.080000 9.660000
H 7.176000 7.890000 8.940000
H 6.586000 9.040000 9.720000
O 11.120000 6.310000 8.730000
H 11.600000 5.570000 8.370000
H 11.500000 6.430000 9.610000
O 8.400000 6.890000 7.920000
H 9.150000 6.640000 8.450000
H 7.770000 6.190000 8.050000
O 9.270000 13.220000 12.660000
H 9.190000 12.290000 12.870000
H 8.480000 13.620000 13.030000
O 13.840000 8.610000 11.560000
H 13.520000 9.180000 12.250000
H 13.890000 9.180000 10.780000
O 12.130000 6.340000 11.530000
H 12.530000 7.200000 11.520000
H 12.700000 5.810000 12.090000
O 11.000000 9.680000 5.590000
H 10.800000 10.590000 5.360000
H 10.190000 9.200000 5.400000
O 9.440000 6.100000 12.360000
H 10.180000 6.040000 11.750000
H 9.000000 5.250000 12.280000
O 12.920000 10.150000 13.570000
H 13.760000 10.610000 13.520000
H 12.300000 10.820000 13.840000
O 8.480000 8.410000 5.580000
H 8.430000 8.010000 6.450000
H 8.590000 7.670000 4.980000
O 8.020000 12.370000 5.840000
H 7.620000 11.660000 5.340000
H 7.890000 13.150000 5.290000
O 12.530000 13.550000 6.990000
H 13.490000 13.570000 7.050000
H 12.300000 14.440000 6.720000
65
Total energy= -9.59170327462136E+03 +- 8.47017849403923E-03 eV, Binding Energy= -0.116858 +- 0.013067 eV
C 10.000000 10.000000 10.000000
H 9.240000 9.240000 10.210000
H 10.640000 10.140000 10.880000
H 10.610000 9.680000 9.150000
H 9.510000 10.950000 9.760000
O 9.650000 6.820000 10.740000
H 10.530000 7.040000 11.060000
H 9.060000 7.170000 11.400000
O 7.900000 12.808000 10.300000
H 7.100000 12.698000 9.790000
H 7.660000 13.388000 11.020000
O 13.570000 9.940000 10.520000
H 13.390000 10.690000 11.090000
H 13.330000 10.240000 9.640000
O 12.940000 10.870000 7.960000
H 13.640000 11.190000 7.380000
H 12.190000 11.440000 7.760000
O 6.580000 10.480000 11.300000
H 5.970000 10.840000 11.940000
H 7.100000 11.230000 11.010000
O 7.910000 8.270000 12.760000
H 8.710000 8.680000 13.090000
H 7.470000 8.970000 12.270000
O 8.770000 6.850000 8.100000
H 9.200000 6.990000 8.940000
H 9.290000 6.180000 7.670000
O 10.540000 8.380000 13.630000
H 11.320000 8.050000 13.180000
H 10.180000 7.620000 14.080000
O 7.230000 9.110000 7.222000
H 6.740000 8.870000 6.432000
H 7.630000 8.280000 7.512000
O 12.560000 7.360000 11.640000
H 13.200000 6.870000 12.170000
H 13.010000 8.180000 11.440000
O 11.000000 12.468000 6.842000
H 10.390000 11.798000 6.532000
H 10.510000 12.968000 7.492000
O 9.870000 13.948000 8.760000
H 9.370000 14.538000 8.200000
H 9.220000 13.588000 9.370000
O 9.290000 10.430000 5.732000
H 8.720000 9.880000 6.272000
H 9.550000 9.860000 5.002000
O 9.940000 10.990000 14.350000
H 10.070000 10.050000 14.240000
H 10.820000 11.350000 14.350000
O 13.260000 12.468000 11.800000
H 14.120000 12.868000 11.750000
H 13.100000 12.358000 12.740000
O 12.550000 8.260000 6.742000
H 12.690000 7.690000 7.492000
H 12.730000 9.140000 7.072000
O 13.310000 6.710000 9.060000
H 13.030000 6.910000 9.950000
H 12.840000 5.910000 8.830000
O 5.280000 8.990000 9.260000
H 5.990000 8.980000 8.630000
H 5.660000 9.380000 10.050000
O 12.040000 14.578000 10.600000
H 11.360000 14.208000 10.040000
H 12.440000 13.818000 11.030000
O 12.580000 11.818000 14.380000
H 13.170000 11.088000 14.190000
H 12.980000 12.248000 15.140000
65
Total energy= -9.59072516133108E+03 +- 9.46064920921963E-03 eV, Binding Energy= -0.140049 +- 0.0140785 eV
C 10.000000 10.000000 10.000000
H 10.440000 9.170000 9.430000
H 9.020000 9.710000 10.380000
H 10.660000 10.250000 10.840000
H 9.900000 10.880000 9.350000
O 11.070000 9.140000 13.400000
H 11.580000 9.250000 12.590000
H 11.120000 8.210000 13.590000
O 7.038000 7.840000 10.550000
H 6.768000 6.940000 10.350000
H 7.158000 7.850000 11.500000
O 13.260000 9.130000 11.570000
H 13.930000 8.890000 12.210000
H 13.220000 10.090000 11.610000
O 8.820000 10.780000 13.460000
H 9.630000 10.280000 13.540000
H 9.040000 11.640000 13.810000
O 9.080000 10.300000 6.380000
H 9.080000 10.690000 5.500000
H 8.420000 10.790000 6.860000
O 10.990000 12.290000 6.950000
H 10.650000 11.420000 6.730000
H 11.740000 12.120000 7.520000
O 13.210000 11.870000 11.460000
H 13.980000 12.380000 11.730000
H 13.180000 11.950000 10.510000
O 13.040000 12.360000 8.880000
H 13.670000 11.810000 8.420000
H 13.380000 13.250000 8.810000
O 6.438000 11.010000 11.770000
H 6.258000 11.730000 12.370000
H 7.308000 10.710000 12.010000
O 6.778000 8.650000 7.690000
H 6.808000 9.580000 7.480000
H 6.838000 8.620000 8.650000
O 11.330000 13.880000 11.480000
H 11.000000 13.800000 12.380000
H 12.000000 13.200000 11.410000
O 10.140000 14.290000 8.930000
H 10.370000 13.570000 8.340000
H 10.600000 14.080000 9.750000
O 8.750000 7.140000 6.700000
H 8.120000 7.730000 7.100000
H 8.990000 6.530000 7.390000
O 6.658000 11.470000 7.230000
H 6.338000 11.780000 8.080000
H 5.868000 11.400000 6.690000
O 14.100000 7.810000 9.400000
H 13.850000 8.340000 10.160000
H 13.400000 7.150000 9.340000
O 5.768000 12.530000 9.550000
H 6.018000 11.940000 10.270000
H 6.198000 13.360000 9.770000
O 13.550000 8.930000 6.700000
H 13.970000 9.780000 6.770000
H 13.840000 8.450000 7.470000
O 12.510000 5.600000 9.660000
H 13.070000 4.910000 9.320000
H 11.640000 5.420000 9.290000
O 10.180000 5.100000 8.460000
H 9.750000 4.460000 9.040000
H 10.390000 4.600000 7.670000
O 6.598000 7.780000 13.180000
H 5.648000 7.870000 13.270000
H 6.808000 6.980000 13.660000
65
Total energy= -9.59163336691770E+03 +- 8.42560516860223E-03 eV, Binding Energy= -0.0864045 +- 0.0128005 eV
C 10.000000 10.000000 10.000000
H 8.980000 10.370000 9.830000
H 10.700000 10.570000 9.380000
H 10.260000 10.110000 11.050000
H 10.050000 8.940000 9.720000
O 7.170000 7.970000 10.250000
H 6.980000 8.640000 10.900000
H 6.990000 8.390000 9.410000
O 11.310000 6.740000 10.170000
H 11.060000 6.890000 9.250000
H 10.470000 6.720000 10.640000
O 11.180000 13.310000 9.620000
H 11.450000 12.650000 8.990000
H 11.890000 13.320000 10.270000
O 10.940000 7.490000 7.550000
H 11.410000 6.790000 7.100000
H 11.530000 8.250000 7.470000
O 8.810000 9.040000 6.610000
H 9.220000 9.840000 6.270000
H 9.550000 8.510000 6.920000
O 8.510000 12.290000 12.530000
H 8.670000 12.970000 11.870000
H 9.380000 12.090000 12.880000
O 11.910000 11.890000 7.340000
H 12.730000 12.340000 7.140000
H 11.390000 11.970000 6.540000
O 13.560000 8.610000 10.190000
H 12.930000 7.980000 10.540000
H 13.660000 9.270000 10.870000
O 6.740000 10.130000 12.020000
H 7.460000 10.740000 11.910000
H 6.070000 10.440000 11.410000
O 13.070000 9.340000 7.450000
H 12.720000 10.230000 7.510000
H 13.170000 9.070000 8.370000
O 8.430000 12.950000 7.680000
H 9.020000 12.350000 7.230000
H 7.560000 12.620000 7.490000
O 8.910000 5.950000 11.270000
H 8.380000 5.150000 11.240000
H 8.330000 6.630000 10.930000
O 8.310000 14.090000 10.360000
H 8.720000 13.610000 9.630000
H 7.420000 13.750000 10.390000
O 6.250000 8.960000 7.790000
H 5.660000 8.380000 7.310000
H 7.080000 8.890000 7.320000
O 14.040000 10.460000 12.190000
H 14.990000 10.600000 12.150000
H 13.670000 11.340000 12.100000
O 10.910000 12.690000 13.840000
H 11.130000 11.910000 14.350000
H 10.740000 13.360000 14.500000
O 12.850000 13.340000 11.950000
H 12.970000 14.290000 11.940000
H 12.140000 13.200000 12.570000
O 9.550000 11.560000 5.420000
H 8.680000 11.900000 5.210000
H 10.130000 12.010000 4.810000
O 7.500000 8.550000 13.980000
H 6.980000 9.180000 13.480000
H 7.970000 9.070000 14.630000
O 9.570000 6.750000 13.860000
H 9.360000 6.330000 13.030000
H 8.880000 7.390000 13.990000
65
Total energy= -9.59142138329543E+03 +- 9.82777078031383E-03 eV, Binding Energy= -0.154596 +- 0.0131861 eV
C 10.000000 10.000000 10.000000
H 9.790000 10.880000 9.390000
H 9.270000 9.220000 9.780000
H 11.010000 9.630000 9.760000
H 9.950000 10.260000 11.060000
O 7.100000 8.320000 10.770000
H 7.950000 7.960000 11.030000
H 6.500000 8.050000 11.470000
O 8.120000 12.370000 11.850000
H 7.320000 12.870000 12.030000
H 8.760000 13.040000 11.580000
O 9.510000 7.000000 11.870000
H 10.360000 7.390000 12.050000
H 9.660000 6.420000 11.120000
O 12.220000 12.760000 10.680000
H 11.470000 13.340000 10.860000
H 12.990000 13.300000 10.860000
O 6.500000 10.970000 10.180000
H 6.690000 10.060000 10.400000
H 7.120000 11.470000 10.710000
O 13.340000 10.840000 8.800000
H 14.100000 11.400000 8.650000
H 12.760000 11.370000 9.350000
O 12.380000 10.810000 12.750000
H 12.140000 11.420000 12.050000
H 12.040000 11.220000 13.550000
O 10.990000 7.240000 7.660000
H 10.210000 7.370000 7.110000
H 11.540000 8.000000 7.470000
O 12.020000 7.810000 12.340000
H 11.920000 8.750000 12.180000
H 12.370000 7.760000 13.230000
O 12.420000 9.420000 6.550000
H 12.770000 9.870000 7.320000
H 13.090000 8.770000 6.330000
O 8.600000 10.620000 14.060000
H 8.680000 11.240000 14.779000
H 8.480000 11.170000 13.280000
O 9.900000 14.250000 10.990000
H 9.550000 14.920000 11.580000
H 9.790000 14.630000 10.120000
O 11.070000 11.850000 5.870000
H 11.220000 11.870000 4.930000
H 11.460000 11.020000 6.160000
O 6.380000 10.970000 7.240000
H 6.530000 10.850000 8.180000
H 6.070000 10.120000 6.930000
O 10.050000 5.310000 9.500000
H 10.950000 5.360000 9.800000
H 10.050000 5.780000 8.660000
O 8.830000 7.480000 5.990000
H 9.350000 8.050000 5.430000
H 8.860000 6.620000 5.570000
O 8.310000 11.590000 5.360000
H 9.200000 11.460000 5.700000
H 7.740000 11.250000 6.050000
O 5.790000 6.910000 8.730000
H 6.390000 7.280000 9.380000
H 4.930000 7.220000 8.990000
O 12.380000 5.300000 11.070000
H 12.400000 6.130000 11.550000
H 13.300000 5.040000 11.020000
O 6.320000 8.180000 6.410000
H 7.220000 7.960000 6.160000
H 6.190000 7.760000 7.260000
65
Total energy= -9.59140806806489E+03 +- 8.98768212048155E-03 eV, Binding Energy= -0.0875624 +- 0.0125832 eV
C 10.000000 10.000000 10.000000
H 10.100000 10.890000 9.370000
H 9.510000 10.260000 10.930000
H 9.410000 9.250000 9.470000
H 11.000000 9.590000 10.210000
O 8.760000 10.790000 12.880000
H 8.280000 9.960000 12.850000
H 8.330000 11.280000 13.580000
O 13.530000 10.490000 9.500000
H 13.030000 10.010000 8.850000
H 14.410000 10.110000 9.460000
O 9.610000 6.430000 9.030000
H 9.880000 6.460000 9.940000
H 9.460000 5.500000 8.840000
O 8.220000 11.670000 7.150000
H 9.050000 12.140000 7.150000
H 8.270000 11.110000 6.370000
O 7.070000 12.140000 11.300000
H 7.680000 11.640000 11.840000
H 6.340000 12.350000 11.890000
O 10.170000 6.560000 11.770000
H 9.530000 7.190000 12.110000
H 9.830000 5.710000 12.030000
O 11.450000 11.760000 13.170000
H 10.570000 11.410000 13.070000
H 11.780000 11.360000 13.980000
O 8.110000 8.010000 12.980000
H 7.920000 7.690000 13.860000
H 7.300000 7.880000 12.490000
O 6.150000 10.960000 8.780000
H 6.850000 11.130000 8.150000
H 6.490000 11.290000 9.610000
O 12.910000 8.820000 7.260000
H 13.680000 8.290000 7.070000
H 12.170000 8.210000 7.140000
O 13.590000 10.530000 12.190000
H 13.640000 10.430000 11.240000
H 12.680000 10.770000 12.360000
O 10.720000 13.160000 7.060000
H 11.610000 12.930000 7.330000
H 10.640000 14.090000 7.300000
O 10.940000 6.890000 6.670000
H 10.310000 6.760000 5.960000
H 10.430000 6.760000 7.470000
O 12.510000 7.040000 13.050000
H 12.210000 7.480000 13.840000
H 11.710000 6.930000 12.520000
O 13.430000 12.560000 7.410000
H 14.010000 12.140000 6.780000
H 13.420000 11.980000 8.170000
O 5.350000 8.340000 8.990000
H 5.700000 9.230000 8.950000
H 4.560000 8.360000 8.440000
O 6.920000 6.580000 7.500000
H 7.610000 6.520000 8.160000
H 6.330000 7.260000 7.830000
O 8.540000 10.130000 4.880000
H 8.580000 9.180000 5.000000
H 7.740000 10.260000 4.360000
O 11.120000 14.410000 12.770000
H 11.950000 14.700000 13.150000
H 11.150000 13.450000 12.840000
O 5.410000 7.850000 11.680000
H 4.790000 8.550000 11.900000
H 5.450000 7.860000 10.730000
