Reaction energy practical g4-h2o2                                       
SP        RHF                                                         GFHFB2              
Number of atoms                            I                4
Charge                                     I                0
Multiplicity                               I                1
Number of electrons                        I               18
Number of alpha electrons                  I                9
Number of beta electrons                   I                9
Number of basis functions                  I              238
Atomic numbers                             I   N=           4
           8           8           1           1
Nuclear charges                            R   N=           4
  8.00000000E+00  8.00000000E+00  1.00000000E+00  1.00000000E+00
Current cartesian coordinates              R   N=          12
  3.63751663E-04  6.88327245E-03  3.54904317E-03  6.29512035E-03  2.80602803E-03
  2.73655511E+00  1.79733423E+00 -1.45265207E-02 -3.31208040E-01 -6.57668515E-01
  1.67274985E+00  3.07130965E+00
Real atomic weights                        R   N=           4
  1.59949146E+01  1.59949146E+01  1.00782504E+00  1.00782504E+00
SCF Energy                                 R     -1.508517070986569E+02
Total Energy                               R     -1.508517070986569E+02
