#! Basis set spherical/Cartesian with cfour_basis and puream


molecule h2o {
O
H 1 R
H 1 R 2 A

R=0.958
A=104.5
}

set cfour_units angstrom
set cfour_basis pvdz
set puream true

energy('c4-mp2')
clean()
clean_variables()

set cfour_basis 6-31g*
set puream true

energy('c4-mp2')
clean()
clean_variables()

set cfour_basis pvdz
set puream false

energy('c4-mp2')
clean()
clean_variables()

set cfour_basis 6-31g*
set puream false

energy('c4-mp2')
clean()
clean_variables()

