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7.4 CCSD(T)

The following job does a CCSD(T) calculation using a larger (VTZ) basis (this includes an $f$ function on oxygen and a $d$ function on the hydrogens).

Input: h2o_ccsdt_vtz.com

Output: h2o_ccsdt_vtz.out


molpro@molpro.net
Feb 26, 2003