If you delete the comma from the end of the line
geometry={,
then it should work,
Best wishes,
Nick WilsonQadir K. Timerghazin wrote:
Hi all,
I am trying to do numerical frequency calculation with CASPT2 for a symmetric molecule, so I need to turn symmetry off. But strangely enough, "NOSYM" option does not work: the following input
"geometry={, NOSYM ANGSTROM C,0,0.6729491965,-1.8215930149,0.0000000000; C,0,-0.6729491965,-1.8215930149,0.0000000000; etc." gives me "cannot find default basis VDZ for atomic number 102" Apparently, MOLPRO does not recognize this option, but instead understands it as Nobelium atom input.
Is it a bug or I am just doing something wrong?
