Dear Molpro, What are the phase factors of atomic orbitals used in Molpro, for example dxy is -xy or +xy? The same question for p and f orbitals. Many thanks, Veaceslav -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20171118/988b5cfd/attachment.html>