$CIMATM group
(optional for CIMTYP=SECIM in $CONTRL;
relevant to multi-level SECIM calculations)
In free format, provide an array of the comma or dash
separated integers labeling the atoms, followed, in each
row of the array, by the name of the method to be applied
to the group of atoms listed in that row. A method must be
supplied for each group of atoms in $CIMATM. The hydrogen
atoms do not have to be specified, since each hydrogen atom
is assigned to the nearest non-hydrogen atom, although
there may be cases where listing hydrogens is useful if
there is ambiguity in assigning hydrogens to non-hydrogen
atoms. No atom can be listed more than once. Atoms that are
not represented in $CIMATM are treated with the method
defined by SUBMTD in $CIMINP. For example,
$CIMATM
1-4,11,12 CR-CCL
9,10 CCSD
$END
implies that atoms 1-4, 11, and 12 (and adjacent hydrogens,
if any) will be treated by CR-CC(2,3) and atoms 9 and 10
(and adjacent hydrogens, if any) by CCSD. The remaining
atoms will be treated by the method defined by SUBMTD in
$CIMINP.
28 lines are written.
Edited by Shiro KOSEKI on Tue May 17 15:19:38 2022.