File: cccbdb_ip.py

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# flake8: noqa
"""
Experimental ionization energies from CCCBDB at
http://srdata.nist.gov/cccbdb/default.htm

Information presented on these pages is considered public information
and may be distributed or copied http://www.nist.gov/public_affairs/disclaimer.cfm
"""
IP = {  # System     IE    IE_vert
    'H': (13.60, None),
    'Li': (5.39, None),
    'Be': (9.32, None),
    'B': (8.30, None),
    'C': (11.26, None),
    'N': (14.53, None),
    'O': (13.62, None),
    'F': (17.42, None),
    'Na': (5.14, None),
    'Mg': (7.65, None),
    'Al': (5.99, None),
    'Si': (8.15, None),
    'P': (10.49, None),
    'S': (10.36, None),
    'Cl': (12.97, None),
    'LiH': (7.90, None),
    'BeH': (8.21, None),
    'CH': (10.64, None),
    'CH2_s3B1d': (10.40, None),
    'CH3': (9.84, None),
    'CH4': (12.61, 13.60),
    'NH': (13.10, 13.49),
    'NH2': (10.78, 12.00),
    'NH3': (10.07, 10.82),
    'OH': (13.02, None),
    'H2O': (12.62, None),
    'HF': (16.03, 16.12),
    'SiH2_s1A1d': (8.92, None),
    'SiH3': (8.14, 8.74),
    'SiH4': (11.00, 12.30),
    'PH2': (9.82, None),
    'PH3': (9.87, 10.95),
    'SH2': (10.46, 10.50),
    'HCl': (12.74, None),
    'Li2': (5.11, None),
    'LiF': (11.30, None),
    'C2H2': (11.40, 11.49),
    'C2H4': (10.51, 10.68),
    'CN': (13.60, None),
    'HCN': (13.60, 13.61),
    'CO': (14.01, 14.01),
    'HCO': (8.12, 9.31),
    'H2CO': (10.88, 10.88),
    'CH3OH': (10.84, 10.96),
    'N2': (15.58, 15.58),
    'N2H4': (8.10, 8.98),
    'NO': (9.26, 9.26),
    'O2': (12.07, 12.30),
    'H2O2': (10.58, 11.70),
    'F2': (15.70, 15.70),
    'CO2': (13.78, 13.78),
    'Na2': (4.89, None),
    'Si2': (7.90, None),
    'P2': (10.53, 10.62),
    'S2': (9.36, 9.55),
    'Cl2': (11.48, 11.49),
    'NaCl': (9.20, 9.80),
    'SiO': (11.49, None),
    'CS': (11.33, None),
    'SO': (11.29, None),
    'ClO': (10.89, 11.01),
    'ClF': (12.66, 12.77),
    'Si2H6': (9.74, 10.53),
    'CH3Cl': (11.26, 11.29),
    'CH3SH': (9.44, 9.44),
    'HOCl': (11.12, None),
    'SO2': (12.35, 12.50),
    'C6H6': (9.24, 9.25),
    'C12H10': (8.16, None),  # Biphenyl
    'C10H8': (8.14, None),  # Naphthalene
}