if { [ catch {exec which qchem } ] } then {
    set msg "Unsupported test: Requires Q-Chem set up in path)"
    puts stdout $msg
    return $msg
}
#
# Default (STO-3G, HF calculation)
#
z_create zmatrix=z {
zmatrix angstrom
o
h 1 1
h 1 1 2 100
}
z_to_c zmatrix=z coords=c

matrix e
energy coords=c theory=qchem : { basis=VDZ** } energy=e
set final_energy  [ get_matrix_element matrix=e indices= {0 0 } ]
delete_object e

# Test result
# set etest  -74.96565701

# Replace with SV value until matching sto3g basis can be fixed up
set etest  -75.91167156

if { abs( $final_energy - $etest) > 1.0e-6 } {
   chemerr "Failed .. E= $final_energy, should be $etest"
} else {
   return "OK"
}