2 ????
$COMP thermochemical calculation COMP :COMPX. $NMR NMR shielding ...... (
default: all zeros). IOSMP = Parallelise I/O on SMP machines with multiple hard.
$COMP thermochemical calculation COMP :COMPX. $NMR NMR shielding ...... (
default: all zeros). IOSMP = Parallelise I/O on SMP machines with multiple hard.