Run Molpro quantum chemistry package

Enter input data
Enter password:
Pre-calculatied examples
MoleculeGeometryBasisMethod
C2 r=1.2727322 angcc-pVDZHF
N2 r=1.12012918 angcc-pVDZHF
Ne  aug-cc-pVDZHF, MP4, FCI
Ar  aug-cc-pVDZHF
BH r=1.2332188 angaug-cc-pVQZHF
CH2 r=2.109997
theta=102.400167
aug-cc-pVDZHF, MP4, FCI

Work in UMass DartmouthWork in UMassD

Home Page