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#! Test G2 method for H2O
molecule h2o {
0 1
O
H 1 1.0 
H 1 1.0 2 104.5
}
set {
    e_convergence 1e-10
    d_convergence 1e-10
    r_convergence 1e-10
    g_convergence gau_verytight
}
energy('g2')
refg2    = -76.332048079709 #TEST
refgibbs = -76.349644891507 #TEST

compare_values(refg2, get_variable("G2 TOTAL ENERGY"), 8, "G2 energy (0 K)") #TEST 
compare_values(refgibbs, get_variable("G2 FREE ENERGY"), 8, "G2 free energy (298 K)") #TEST 

clean()