This is a stereo plot of a computation of the HONO(trans) molecule with the program KIMBALL by Silvan Perego, diploma thesis at the University of Bern, "Untersuchungen eines heuristischen quantenchemischen Modells", April 1989. In the left lower corner the final total energy after automatic optimization is given. On the right of that number the virial V/T is documented. The molecular symmetry is calculated to be Cs. The total energy -203.7909 hartree compares with the following ab initio results:
Program (runtype: optimize) Model Chemistry, Basis Total energy     (V/T)
KIMBALL (standard parameters) "Spherical Clouds", homogeneous density -203.7909          (-2.00009)
GAMESS (for PC) + Virial scaling RHF/STO-3G -201.92153        (-2.0000007)
GAMESS (for PC) + Virial scaling RHF/6-31G -204.521945      (-2.0000004)
Gaussian 94W RHF/STO-3G -201.91560        (-2.0107)
Gaussian 94W RHF/6-31G -204.521940      (-1.9997)
Gaussian 94W B3LYP/6-311+G(3df,2p) -205.785981      (-2.0032)
 
 Gamess and GamessPCGaussian 94