THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by A. Baba-Ahmed, Department of Chemistry, C.U.T., Tlemcen, Algeria and J. Gayoso, B. Maouche and O. Ouamerali, Institute for Chemistry, U.S.T.H.B., Dar el Beida, Algeria

This is a greatly enhanced version of the original CNDO/2 system. This new version is capable of:

1. C.I. Calculations 2. Convergence Acceleration 3. Transition Metal Calculations The system as distributed will do:

1. up to 30 atoms 2. 79 basis orbitals 3. 45 bonds 4. 55 iterations (as a maximum) Principal quantum numbers are noninteger for the fourth and sixth periods for Slater AOs.

The transition elements which are available are Atomic number 21-29 and Atomic number 39-47.

FORTRAN IV (IBM) Lines of Code: 5255