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9.5 CASSCF and MRCI
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9 INTRODUCTORY EXAMPLES
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9.3 Geometry optimizations
9.4 CCSD(T)
The following job does a CCSD(T) calculation using a larger (
VTZ
) basis (this includes an
function on oxygen and a
function on the hydrogens).
Input:
h2o_ccsdt_vtz.com
Output:
h2o_ccsdt_vtz.out
molpro@molpro.net
Oct 10, 2007
function on oxygen and a 
function on the hydrogens).