Faculty for Chemistry and Pharmacy - Group of Prof. Zipse
 

Molekülorbitale von Wasser (C2v)
[HF/6-31G(d) Niveau, Energien in hartree]


 

+0.294    mo7 (B2)

+0.203   mo6 (A1)



-0.492    mo5 (B1)

-0.552    mo4 (A1)

-0.688    mo3 (B2)

-1.316    mo2 (A1)



-20.565    mo1 (A1)