PM6 GNorm=0.01 Grad SCFCRT=1E-7 charge=0
handlbar template for mopac
optimizae geometry using default optimizer
{{#each molecule.atoms as |a| ~}}
{{format a.symbol width=3}} {{format a.x}} 1 {{format a.y}} 1 {{format a.z}} 1
{{/each~}}