#! testing best practices options, part i

molecule {
O
H 1 R
H 1 R 2 A

R=0.958
A=104.5
}

set basis 6-31g
set cfour_CALC_level=CCSD

energy('cfour')
compare_values(-76.119378156918, get_variable('current energy'), 5, 'Total Energy')

clean()
clean_variables()

set cfour_CALC_level=CCSD
set cfour_cc_program ecc

energy('cfour')
compare_values(-76.119378156918, get_variable('current energy'), 5, 'Total Energy')

