% Created by MoleCuilder mpqc: ( savestate = no do_gradient = yes mole: ( maxiter = 200 basis = $:basis molecule = $:molecule ) freq: ( molecule=$:molecule ) ) molecule: ( unit = angstrom { atoms geometry } = { H [ 6.779907327 5.629325419 7.670000000 ] H [ 6.779907327 5.629325419 5.890000000 ] H [ 5.889953664 6.887976256 6.780000000 ] H [ 7.669860991 6.887976256 6.780000000 ] C [ 6.779907327 6.258625419 6.780000000 ] } ) basis: ( name = "3-21G" molecule = $:molecule )