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281. CNINDO/74: CNDO and INDO Calculations of
Molecular Orbitals and Molecular Properties
by P. Dobosh, Department of Chemistry, Mount Holyoke
College, South Hadley, Massachusetts 15213 and Neil S.
Ostlund, Department of Chemistry, University of
Arkansas, Fayetteville, Arkansas 72701
CNINDO/74 is a program for performing molecular orbital
calculations as described in Approximate Molecular
Orbital Theory (New York: McGraw-Hill, 1970), by J. A.
Pople and D. L. Beveridge. This is a cleaner and
slightly more efficient version of the original CNINDO
(QCPE 141), and it also replaces FINITE (QCPE 224), a
program for computing NMR coupling constants in the
CNDO and INDO approximations. CNINDO/74 will do CNDO-
level calculations for molecules containing elements
through chlorine and INDO-level calculations for
elements through fluorine.Valence-shell basis
functions (1s or 2s, 2p, or 3s, 3p, 3d) are used, and
up to 35 atoms or 80 basis functions are allowed per
molecule.
FORTRAN IV (CDC 6600)
Lines of Code: 1611
Recommended Citation: P. Dobosh and N. S. Ostlund,
QCPE 11, 281 (1975).
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