--@
extension = "gjf"
--@
{%if solvation-%}
{%set solvent="scrf=(smd, solvent=" ~ solvent ~ ")"-%}
{%else-%}
{%set solvent=""-%}
{%endif-%}
%chk={{ Molecule.filename }}.chk
%nproc={{ nprocs }}
%mem={{ mem }}GB
# {{ method }}/{{ basis_set }} opt freq=noraman {{ solvent }}

job title: {{ Molecule.filename }}

{{ charge }} {{mult}}
{{print_molecule(molecule=Molecule)}}

