x_trans
Analytic  0.018960310761731762 527.8008148803707 263.90040744018535
Numeric  0.018634724839594604 523.2495011544619 261.62475057723094
y_trans
Analytic  0.009231205575136386 368.2786496851268 184.1393248425634
Numeric  0.007623296525288702 334.6715054365412 167.3357527182706
z_trans
Analytic  0.013665928861826174 448.09170936840684 224.04585468420342
Numeric  0.019693516335370604 537.9091906046282 268.9545953023141
k(Hartree/Ang^2) nu(cm-1) ZPVE(cm-1) for translations