• CNDO Molecular Orbital Calculations • |

This program calculates wave functions and energies for molecules in open or closed shell states using the CNDO/2 approximation.

The original FORTRAN program by G.A. Segal, Carnegie Institute of Technology, March, 1966:

J. A. Pople, G. A. Segal, "Approximate self-consistent molecular orbital theory. III.
CNDO results for AB2 and AB3 systems,"
J. Chem. Phys., **1966**, *44(9)*, 3289-96.

J. A. Pople, G. A. Segal, "Approximate self-consistent molecular orbital theory. II.
Calculations with complete neglect of differential overlap,"
J. Chem. Phys., **1965**, *43(10)*, S136-S149.

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Colby College Chemistry, T. W. Shattuck, 5/10/2011*