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12.1 Example for integral-direct calculations

Input: h2o_direct.com

Output: h2o_direct.out

This jobs produces the following table:

 METHOD       E            DIP
 HF       -76.02145798   0.82747348
 MP2      -76.22620591   0.00000000
 CCSD     -76.23580191   0.00000000
 QCI      -76.23596211   0.00000000
 BCCD     -76.23565813   0.00000000
 MULTI    -76.07843443   0.76283026
 MRCI     -76.23369819   0.76875001
 ACPF     -76.23820180   0.76872802
 RS3      -76.23549448   0.75869972



P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002