C.1 Q-Chem Text Input Summary

C.1.18 Keyword: $van_der_waals

(May 16, 2021)

Note:  All radii are given in Ångstroms.

$van_der_waals
   1
   atomic_number   VdW_radius
$end

(alternative format)

$van_der_waals
   2
   sequential_atom_number   VdW_radius
$end