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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).

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CFOUR is partially supported by the U.S. National Science Foundation.