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5.6 Tables

You may now want to print a summary of all results in a table. To do so, you must store the computed energies in variables:

h2o_table.com h2o_tab.com

This job produces the following table:

 Results for H2O, basis=VTZ

 METHOD        E
 HF        -76.05480122
 CCSD(T)   -76.33149220
 CASSCF    -76.11006259
 MRCI      -76.31960943



molpro@molpro.net 2017-12-11