# BSE Version v0.8.4+29.gb6d6a1b
# Data downloaded at 2019-06-24T14:04
# 5-21g version number 1
# Description: 5-21G Split-valence basis set
# Role: orbital
# 
# ********************************************************************************
# If you downloaded data from the basis set
# exchange or used the basis set exchange python library, please cite:
# ********************************************************************************
#     Pritchard, Benjamin P., Altarawy, Doaa, Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     Manuscript in preparation
# 
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem., 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model., 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# ********************************************************************************
# References for the basis set
# ********************************************************************************
# H,He
#     ## 21G Split-valence basis set for H,He
#     Binkley, J. Stephen, Pople, John A., Hehre, Warren J.
#     Self-consistent molecular orbital methods. 21. Small split-valence
#             basis sets for first-row elements
#     J. Am. Chem. Soc., 102, 939-947 (1980)
#     10.1021/ja00523a008
# 
# Li
#     ## 5-21G Split-valence basis set
#     Dill, James D., Pople, John A.
#     Self-consistent molecular orbital methods. XV. Extended Gaussian-type
#             basis sets for lithium, beryllium, and boron
#     J. Chem. Phys., 62, 2921-2923 (1975)
#     10.1063/1.430801
# 
# Be
#     ## 5-21G Split-valence basis set
#     Binkley, J. Stephen, Pople, John A.
#     Self-consistent molecular orbital methods. XIX. Split-valence
#             Gaussian-type basis sets for beryllium
#     J. Chem. Phys., 66, 879-880 (1977)
#     10.1063/1.433929
# 
# # 
basis "H_5-21g" 
#basis SET: (3s) -> [2s]
H    S
      0.5447178000E+01       0.1562849787E+00
      0.8245472400E+00       0.9046908767E+00
H    S
      0.1831915800E+00       1.0000000
end
basis "He_5-21g" 
#basis SET: (3s) -> [2s]
He    S
      0.1362670000E+02       0.1752298718E+00
      0.1999350000E+01       0.8934823465E+00
He    S
      0.3829930000E+00       1.0000000
end
basis "Li_5-21g" 
#basis SET: (8s,3p) -> [3s,2p]
Li    S
      0.2753944440E+03       0.6121846910E-02
      0.4143517540E+02       0.4511296150E-01
      0.9366993780E+01       0.1926941500E+00
      0.2537725330E+01       0.4685442080E+00
      0.7466365400E+00       0.4406075150E+00
Li    SP
      0.7345642606E+00      -0.2525367958E+00       0.1435917321E+00
      0.8719796405E-01       0.1097340795E+01       0.9478030506E+00
Li    SP
      0.4043865741E-01       0.1000000000E+01       0.1000000000E+01
end
basis "Be_5-21g" 
#basis SET: (8s,3p) -> [3s,2p]
Be    S
      0.5540100000E+03       0.5409974372E-02
      0.8326310000E+02       0.4025153253E-01
      0.1886350000E+02       0.1768581429E+00
      0.5177820000E+01       0.4525593657E+00
      0.1556020000E+01       0.4702933800E+00
Be    SP
      0.1441752491E+01      -0.4774290516E+00       0.2011418992E+00
      0.3018610597E+00       0.1247450135E+01       0.8844825569E+00
Be    SP
      0.1009613875E+00       0.1000000000E+01       0.1000000000E+01
end
