#P
Additional output is generated. This includes messages at the beginning and end of each link giving assorted machine-dependent information (including execution timing data), as well as covergence information in the SCF.
RHF
This method keyword requests a Hartree-Fock calculation. Unless explicitly specified, RHF is used for singlets and UHF for higher multiplicities. In the latter case, separate α and β orbitals will be computed [57,58,59]. RHF, ROHF or UHF can also be specified explicitly. SCF single point energy calculations involving basis sets which include diffuse functions should use the SCF=Tight keyword to request tight SCF convergence criteria.
MaxDisk
The MaxDisk keyword specifies the amount of disk storage available for scratch data, in 8-byte words. The value may optionally be followed by a units designation: KB, MB, GB, KW, MW or GB. Normally, this is set for a site in the site-wide Default.Route file.
Additional output is generated. This includes messages at the beginning and end of each link giving assorted machine-dependent information (including execution timing data), as well as covergence information in the SCF.
RHF
This method keyword requests a Hartree-Fock calculation. Unless explicitly specified, RHF is used for singlets and UHF for higher multiplicities. In the latter case, separate α and β orbitals will be computed [57,58,59]. RHF, ROHF or UHF can also be specified explicitly. SCF single point energy calculations involving basis sets which include diffuse functions should use the SCF=Tight keyword to request tight SCF convergence criteria.
MaxDisk
The MaxDisk keyword specifies the amount of disk storage available for scratch data, in 8-byte words. The value may optionally be followed by a units designation: KB, MB, GB, KW, MW or GB. Normally, this is set for a site in the site-wide Default.Route file.
