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H3+
sya, 2007.09.29
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Dirac
CAS-CI(2e,2o)/C2v
The 3rd state of irrep-a corresponds to the triplet state in the
NONREL CI.
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 Representation    a;    4 vectors written to file  MDTRIV_   a
 Eigenvalues              -1.163822557349  Ground singlet state (S1)
                          -1.044151976972  Triplet state (T1)
                          -1.009984234046  Singlet state (S2)
                          -0.168390829174  Singlet state (S3)
 Representation    b;    2 vectors written to file  MDTRIV_   b
 Eigenvalues              -1.044151976972  Triplet state (T1)
                          -1.044151976972  Triplet state (T1)
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Transition dipole moments
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 TMOM <irrep  1    a vec#   3 |x,y,z| irrep  1    a vec#   1>
  Transition dipole moments
       0.0000000000      0.0000000000      1.6186121408 (real)
       0.0000000000      0.0000000000      0.0000000000 (imaginary)
  Norm in atomic units and in Debye
       1.6186121408      4.1141012385
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Normal dipole moments
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 TMOM <irrep  1    a vec#   1 |x,y,z| irrep  1    a vec#   1>
  Electronic contributions to dipole moments
       0.0000000000      0.0000000000      1.6737658082 (real)
       0.0000000000      0.0000000000      0.0000000000 (imaginary)
  Total dipole moments (nuclear contributions added)
       0.0000000000      0.0000000000      1.6737668082 (real)
       0.0000000000      0.0000000000      0.0000000000 (imaginary)
  Norm in atomic units and in Debye
       1.6737668082      4.2542904041
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 TMOM <irrep  1    a vec#   3 |x,y,z| irrep  1    a vec#   3>
  Electronic contributions to dipole moments
       0.0000000000      0.0000000000     -0.6214592636 (real)
       0.0000000000      0.0000000000      0.0000000000 (imaginary)
  Total dipole moments (nuclear contributions added)
       0.0000000000      0.0000000000     -0.6214582636 (real)
       0.0000000000      0.0000000000      0.0000000000 (imaginary)
  Norm in atomic units and in Debye
       0.6214582636      1.5795891723
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