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Perhaps you want to do a CASSCF and subsequent MRCI for comparison. The following
uses the full valence active space in the CASSCF and MRCI reference function.
Input: h2o_mrci_vtz.com Output: h2o_mrci_vtz.out
P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002