I should probably not do that, but it bothers me so I will. I calculated mp2 (ricc2 ) single point energy with def2-TZVP in TURBOMOLE and ORCA. RHF energies for both are almost identical..
ORCA -18373.81677195 Eh
TURBOMOLE -18373.8167659600
Perfect!
However, after correlation (and freezing the same number of orbitals), result is very different, e.g.
ORCA: RI-MP2 CORRELATION ENERGY: -20.005401695 Eh
TURBOMOLE: correlation energy : -20.4917897873
What could be the culprit, I am tempted using lower energy TURBOMOLE value but not sure what might have went differently during correlation calculations. Again, the same number of orbitals was frozen
Jonas