Water correlation/composite practical cbsqb3-composite                  
SP        RMP2-FC                                                     CBSB3               
Number of atoms                            I                3
Charge                                     I                0
Multiplicity                               I                1
Number of electrons                        I               10
Number of alpha electrons                  I                5
Number of beta electrons                   I                5
Number of basis functions                  I               54
Atomic numbers                             I   N=           3
           8           1           1
Nuclear charges                            R   N=           3
  8.00000000E+00  1.00000000E+00  1.00000000E+00
Current cartesian coordinates              R   N=           9
  0.00000000E+00  1.45885902E-15 -7.23685165E-03  0.00000000E+00  1.43070749E+00
  1.11426449E+00  0.00000000E+00 -1.43070749E+00  1.11426449E+00
Real atomic weights                        R   N=           3
  1.59949146E+01  1.00782504E+00  1.00782504E+00
SCF Energy                                 R     -7.605646420562226E+01
MP2 Energy                                 R     -7.631491797839242E+01
Total Energy                               R     -7.631491797839242E+01
Cartesian Gradient                         R   N=           9
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
