Use of spherical functions can do the trick!
title "cubane cc-pV5Z MP2-RI energy"
geometry
symmetry Oh
H 1.41063149 1.41063149 1.41063149
C 0.78371973 0.78371973 0.78371973
end
basis spherical
H library cc-pV5Z
C library cc-pCV5Z
end
basis "ri-mp2 basis"
H library cc-pV5Z-ri
C library cc-pV5Z-ri
end
scf
direct
end
task rimp2
output energy is:
-------------------------------------------
SCF energy -307.507287526028
Correlation energy -1.815754093360
Total MP2 energy -309.323041619388
-------------------------------------------
|