This is a stereo plot of a computation of the BF3 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 D3h. The total energy -323.6027 hartree and the BF-distance of 1.310 Angstr. compare with the following ab initio results:
 
Program (runtype: optimize) Model Chemistry, Basis Total energy     (V/T)              d(BF)
KIMBALL (standard parameters) "Spherical Clouds", homogeneous density -323.6027          (-2.00000)     1.310
Gaussian 94W RHF/6-21G -322.73052        (-2.0014)       1.3317
Gaussian 94W RHF/6-31+G(D) -323.20893        (-2.0026)       1.3022
Gaussian 94W CBS-4 -324.29112        (-2.0012)       1.3285
 
 Gamess and GamessPCGaussian 94