21/04/17 01:35:17.29 .net
>>149
OH2 (水)
1b1 (2px), -12.6 eV, (-13.8 eV)
3a1 (2pz), -14.7 eV, (-15.9 eV)
1b2 (2py), -18.5 eV, (-19.5 eV)
2a1 (2s), -32.2 eV, (-36.7 eV)
1a1 (1s), -539.7 eV, (-559.5 eV)
( )内は 近HF軌道エネルギー
I.N.Levine: "Quantum Chemistry" (4th ed.), Prentice-Hall (1991)
p.475