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Input File ZMAT

The ZMAT file consists of several sections as shown below in the following example

   Water CC-LR/DZP at experimental equilibrium geometry        <------ title
   O
   H 1 R
   H 1 R 2 A                                                   <------ geometry
   
   R=0.958
   A=104.5
   
   *CFOUR(CALC=CCSD,BASIS=DZP,EXCITE=EOMCC)                    <----- cfour keyword section
   
   %excite*
   1
   1                                                           <---- additional input sections
   1 5 0 6 0 1.0

The first three sections have to be always supplied, while the fourth section is optional (dependent on the chosen computational approach).