# title  : Water
# method : CC3
# basis  : aug-cc-pVDZ
# doi    : 10.1021/acs.jctc.8b00406

# Spin   Symm    eV
   1     1 A1    0.                                                                           
   1     1 B1    7.51
   1     1 A2    9.29
   1     2 A1    9.92
   3     1 A2    9.12
   3     1 A1    9.47